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+]1CCN(c2ncccc2CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301181493 970791923 /nfs/dbraw/zinc/79/19/23/970791923.db2.gz NHXOLEJVHTZAEW-UHFFFAOYSA-N 2 2 412.335 3.756 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCCC4)cc3)[nH+]cn2)C1 ZINC000301266602 970842643 /nfs/dbraw/zinc/84/26/43/970842643.db2.gz UJBCIZWIWHDTMN-QFIPXVFZSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCCC4)cc3)nc[nH+]2)C1 ZINC000301266602 970842649 /nfs/dbraw/zinc/84/26/49/970842649.db2.gz UJBCIZWIWHDTMN-QFIPXVFZSA-N 2 2 409.578 3.673 20 0 HHADLP C[NH+](C)CCOc1cc(CNc2cc[nH+]c3c(Br)cccc23)ccn1 ZINC000301899343 971104851 /nfs/dbraw/zinc/10/48/51/971104851.db2.gz XWCGWZVTKXMXNK-UHFFFAOYSA-N 2 2 401.308 3.945 20 0 HHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000542132096 1013063349 /nfs/dbraw/zinc/06/33/49/1013063349.db2.gz JQQVSLRBNVFZEU-HXUWFJFHSA-N 2 2 404.917 3.973 20 0 HHADLP C[NH+](C)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000302852606 971354271 /nfs/dbraw/zinc/35/42/71/971354271.db2.gz QKVYMEWSZWHKME-INIZCTEOSA-N 2 2 411.497 3.763 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302902833 971383057 /nfs/dbraw/zinc/38/30/57/971383057.db2.gz RCQRSYIMCUPLAG-NHCUHLMSSA-N 2 2 409.603 3.521 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302902833 971383085 /nfs/dbraw/zinc/38/30/85/971383085.db2.gz RCQRSYIMCUPLAG-NHCUHLMSSA-N 2 2 409.603 3.521 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)c1 ZINC000303048654 971475829 /nfs/dbraw/zinc/47/58/29/971475829.db2.gz RFEFATFGPDXOIQ-UHFFFAOYSA-N 2 2 421.585 3.862 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198633 971555304 /nfs/dbraw/zinc/55/53/04/971555304.db2.gz NUMJPOOFOLIVNY-ROUUACIJSA-N 2 2 410.389 3.772 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198636 971555667 /nfs/dbraw/zinc/55/56/67/971555667.db2.gz NUMJPOOFOLIVNY-ZWKOTPCHSA-N 2 2 410.389 3.772 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)C[C@@H](C)O1 ZINC000542166443 1013103466 /nfs/dbraw/zinc/10/34/66/1013103466.db2.gz HSGCTGVACYCHJJ-NHCUHLMSSA-N 2 2 424.589 3.825 20 0 HHADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+]1CCCCCC1 ZINC000553153798 1013113345 /nfs/dbraw/zinc/11/33/45/1013113345.db2.gz KAAIWCUONCUTRJ-INIZCTEOSA-N 2 2 423.355 3.532 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000303638703 971917901 /nfs/dbraw/zinc/91/79/01/971917901.db2.gz QIZKBFONEHWKQQ-FQEVSTJZSA-N 2 2 409.578 3.510 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000303638703 971917905 /nfs/dbraw/zinc/91/79/05/971917905.db2.gz QIZKBFONEHWKQQ-FQEVSTJZSA-N 2 2 409.578 3.510 20 0 HHADLP C[N@H+](CCCO)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000303703741 971971088 /nfs/dbraw/zinc/97/10/88/971971088.db2.gz ORJXRXMTANFDER-UHFFFAOYSA-N 2 2 404.558 3.818 20 0 HHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000303703741 971971089 /nfs/dbraw/zinc/97/10/89/971971089.db2.gz ORJXRXMTANFDER-UHFFFAOYSA-N 2 2 404.558 3.818 20 0 HHADLP Clc1ccccc1[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCOCC1 ZINC000542320541 1013275849 /nfs/dbraw/zinc/27/58/49/1013275849.db2.gz ZRGSARFAUWPMPW-HXUWFJFHSA-N 2 2 402.951 3.750 20 0 HHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000017310212 963185339 /nfs/dbraw/zinc/18/53/39/963185339.db2.gz QTNWRNVDMRJHMX-UHFFFAOYSA-N 2 2 401.514 3.983 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000542464650 1013412355 /nfs/dbraw/zinc/41/23/55/1013412355.db2.gz DPETZOUEFUZUTQ-PMACEKPBSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000542464650 1013412362 /nfs/dbraw/zinc/41/23/62/1013412362.db2.gz DPETZOUEFUZUTQ-PMACEKPBSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000542464654 1013412602 /nfs/dbraw/zinc/41/26/02/1013412602.db2.gz DPETZOUEFUZUTQ-UXHICEINSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000542464654 1013412608 /nfs/dbraw/zinc/41/26/08/1013412608.db2.gz DPETZOUEFUZUTQ-UXHICEINSA-N 2 2 403.313 3.973 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000542532508 1013476283 /nfs/dbraw/zinc/47/62/83/1013476283.db2.gz IZMQRPLEBZXRRA-HOTGVXAUSA-N 2 2 416.591 3.876 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000542532508 1013476291 /nfs/dbraw/zinc/47/62/91/1013476291.db2.gz IZMQRPLEBZXRRA-HOTGVXAUSA-N 2 2 416.591 3.876 20 0 HHADLP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccnc1 ZINC000537898918 1013484405 /nfs/dbraw/zinc/48/44/05/1013484405.db2.gz OBZBTRZLBHJJEO-JOCHJYFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccnc1 ZINC000537898918 1013484409 /nfs/dbraw/zinc/48/44/09/1013484409.db2.gz OBZBTRZLBHJJEO-JOCHJYFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755354 964688538 /nfs/dbraw/zinc/68/85/38/964688538.db2.gz GOBMRFMCXYFETJ-UHFFFAOYSA-N 2 2 404.580 3.822 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960199 1013539773 /nfs/dbraw/zinc/53/97/73/1013539773.db2.gz MUOPWBXSSDQARV-FGSXEWAUSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960199 1013539784 /nfs/dbraw/zinc/53/97/84/1013539784.db2.gz MUOPWBXSSDQARV-FGSXEWAUSA-N 2 2 421.507 3.752 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609471 1013544894 /nfs/dbraw/zinc/54/48/94/1013544894.db2.gz LCROEASUDZOIKA-FDDCHVKYSA-N 2 2 415.541 3.962 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609471 1013544899 /nfs/dbraw/zinc/54/48/99/1013544899.db2.gz LCROEASUDZOIKA-FDDCHVKYSA-N 2 2 415.541 3.962 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057154177 965315577 /nfs/dbraw/zinc/31/55/77/965315577.db2.gz OYGAMTYRWKWQDH-HSZRJFAPSA-N 2 2 402.542 3.502 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057154177 965315581 /nfs/dbraw/zinc/31/55/81/965315581.db2.gz OYGAMTYRWKWQDH-HSZRJFAPSA-N 2 2 402.542 3.502 20 0 HHADLP CC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1cccs1 ZINC000057600800 965504815 /nfs/dbraw/zinc/50/48/15/965504815.db2.gz AEAJZLDAWFPFHO-JOCHJYFZSA-N 2 2 415.603 3.922 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1cccs1 ZINC000057600800 965504821 /nfs/dbraw/zinc/50/48/21/965504821.db2.gz AEAJZLDAWFPFHO-JOCHJYFZSA-N 2 2 415.603 3.922 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054717940 965619670 /nfs/dbraw/zinc/61/96/70/965619670.db2.gz MYZLVGZIZADJOE-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054717940 965619672 /nfs/dbraw/zinc/61/96/72/965619672.db2.gz MYZLVGZIZADJOE-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542715134 1013627408 /nfs/dbraw/zinc/62/74/08/1013627408.db2.gz NSFYOZAFQRUEAY-UZLBHIALSA-N 2 2 424.992 3.988 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061011731 966350387 /nfs/dbraw/zinc/35/03/87/966350387.db2.gz IMIPGGFZZNSCHA-UHFFFAOYSA-N 2 2 421.589 3.926 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000056894438 966506161 /nfs/dbraw/zinc/50/61/61/966506161.db2.gz WWPNRCNAWIXEHL-QFIPXVFZSA-N 2 2 419.529 3.517 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056895178 966506185 /nfs/dbraw/zinc/50/61/85/966506185.db2.gz NKFZRBXAGWLZNP-UHFFFAOYSA-N 2 2 403.530 3.598 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056895178 966506187 /nfs/dbraw/zinc/50/61/87/966506187.db2.gz NKFZRBXAGWLZNP-UHFFFAOYSA-N 2 2 403.530 3.598 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccsc1 ZINC000061790476 966554331 /nfs/dbraw/zinc/55/43/31/966554331.db2.gz XDVCMTNHGUKUGJ-LJQANCHMSA-N 2 2 404.605 3.721 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CC2)c1 ZINC000061790269 966554413 /nfs/dbraw/zinc/55/44/13/966554413.db2.gz QZMVLKONUSRCLH-UHFFFAOYSA-N 2 2 424.614 3.894 20 0 HHADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000062254311 966632141 /nfs/dbraw/zinc/63/21/41/966632141.db2.gz UPAWIRFZLQYFMK-LLVKDONJSA-N 2 2 404.255 3.682 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000062477686 966684877 /nfs/dbraw/zinc/68/48/77/966684877.db2.gz IBCCXIDGRHPBMW-UHFFFAOYSA-N 2 2 415.969 3.609 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(F)c1 ZINC000043517574 966988852 /nfs/dbraw/zinc/98/88/52/966988852.db2.gz ZYADFXUXZWMQKY-SFHVURJKSA-N 2 2 405.543 3.693 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C ZINC000064237112 967100961 /nfs/dbraw/zinc/10/09/61/967100961.db2.gz XZMIXLXOPOZYON-JOCHJYFZSA-N 2 2 410.562 3.994 20 0 HHADLP CSC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542844971 1013704853 /nfs/dbraw/zinc/70/48/53/1013704853.db2.gz PZJRBQJAVYBUIO-SFHVURJKSA-N 2 2 417.541 3.642 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000045987119 967621601 /nfs/dbraw/zinc/62/16/01/967621601.db2.gz VSWBDMDPQRWQGA-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@@H](C)O1 ZINC000046346806 967756229 /nfs/dbraw/zinc/75/62/29/967756229.db2.gz UPNBDBJBPNSPRT-LZJOCLMNSA-N 2 2 416.591 3.782 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)c2)CC1 ZINC000046467482 967813848 /nfs/dbraw/zinc/81/38/48/967813848.db2.gz PRTNQJXFUYGJEV-NRFANRHFSA-N 2 2 412.582 3.570 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211285 1013764314 /nfs/dbraw/zinc/76/43/14/1013764314.db2.gz SWABPWOOGCRIGA-HOYKHHGWSA-N 2 2 424.564 3.638 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000047039649 968037247 /nfs/dbraw/zinc/03/72/47/968037247.db2.gz LIOLTCFBYLJGTE-RTBURBONSA-N 2 2 402.608 3.750 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000047675940 968274761 /nfs/dbraw/zinc/27/47/61/968274761.db2.gz AUQSEYOUPNWXBB-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000047675940 968274772 /nfs/dbraw/zinc/27/47/72/968274772.db2.gz AUQSEYOUPNWXBB-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000538242041 1013789507 /nfs/dbraw/zinc/78/95/07/1013789507.db2.gz GJLVRYICCXHANZ-INIZCTEOSA-N 2 2 421.463 3.827 20 0 HHADLP Cn1ccc([C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260882 1013802068 /nfs/dbraw/zinc/80/20/68/1013802068.db2.gz KICAUWYLMVYTAD-LOSJGSFVSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccc([C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260882 1013802074 /nfs/dbraw/zinc/80/20/74/1013802074.db2.gz KICAUWYLMVYTAD-LOSJGSFVSA-N 2 2 421.564 3.617 20 0 HHADLP Fc1cccc(-c2ccc(C[NH+]3CCN(CC[N@H+]4C[C@H]5CC[C@@H](C4)O5)CC3)s2)c1 ZINC000538273432 1013813157 /nfs/dbraw/zinc/81/31/57/1013813157.db2.gz LINFLUSZTCXHLJ-OYRHEFFESA-N 2 2 415.578 3.535 20 0 HHADLP Fc1cccc(-c2ccc(C[NH+]3CCN(CC[N@@H+]4C[C@H]5CC[C@@H](C4)O5)CC3)s2)c1 ZINC000538273432 1013813167 /nfs/dbraw/zinc/81/31/67/1013813167.db2.gz LINFLUSZTCXHLJ-OYRHEFFESA-N 2 2 415.578 3.535 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065859457 968685091 /nfs/dbraw/zinc/68/50/91/968685091.db2.gz ZWZQTZBYPRJEKO-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065859457 968685098 /nfs/dbraw/zinc/68/50/98/968685098.db2.gz ZWZQTZBYPRJEKO-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2c3ccccc3nc3c2C[NH+](CC)CC3)c1 ZINC000065881317 968699412 /nfs/dbraw/zinc/69/94/12/968699412.db2.gz BGDSNEAEXFTRJX-UHFFFAOYSA-N 2 2 416.569 3.995 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2c3ccccc3nc3c2C[NH+](CC)CC3)c1 ZINC000065881317 968699419 /nfs/dbraw/zinc/69/94/19/968699419.db2.gz BGDSNEAEXFTRJX-UHFFFAOYSA-N 2 2 416.569 3.995 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)c1 ZINC000065881317 968699424 /nfs/dbraw/zinc/69/94/24/968699424.db2.gz BGDSNEAEXFTRJX-UHFFFAOYSA-N 2 2 416.569 3.995 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)c1 ZINC000065881317 968699430 /nfs/dbraw/zinc/69/94/30/968699430.db2.gz BGDSNEAEXFTRJX-UHFFFAOYSA-N 2 2 416.569 3.995 20 0 HHADLP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000538290653 1013826655 /nfs/dbraw/zinc/82/66/55/1013826655.db2.gz MTVXTBPWQRROLI-NQIIRXRSSA-N 2 2 403.530 3.906 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000538305761 1013838993 /nfs/dbraw/zinc/83/89/93/1013838993.db2.gz HZOPYGWJPSBIJP-UHFFFAOYSA-N 2 2 412.603 3.576 20 0 HHADLP COc1cc(Br)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000107834298 969338217 /nfs/dbraw/zinc/33/82/17/969338217.db2.gz ZJTFZNPVKUXPMQ-UHFFFAOYSA-N 2 2 406.324 3.620 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000110876957 969732528 /nfs/dbraw/zinc/73/25/28/969732528.db2.gz AHJVJQJAPPYNND-QFIPXVFZSA-N 2 2 423.601 3.892 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000141745130 970128406 /nfs/dbraw/zinc/12/84/06/970128406.db2.gz XLJOUFYWROTHRE-JOCHJYFZSA-N 2 2 407.562 3.627 20 0 HHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000236621855 970146982 /nfs/dbraw/zinc/14/69/82/970146982.db2.gz ZXGQCAABQPFXGZ-UHFFFAOYSA-N 2 2 423.538 3.661 20 0 HHADLP Cc1c(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000236687328 970155746 /nfs/dbraw/zinc/15/57/46/970155746.db2.gz JDJQRVWMEQOLDN-VWLOTQADSA-N 2 2 418.585 3.657 20 0 HHADLP Cc1c(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000236687328 970155751 /nfs/dbraw/zinc/15/57/51/970155751.db2.gz JDJQRVWMEQOLDN-VWLOTQADSA-N 2 2 418.585 3.657 20 0 HHADLP O=C(NCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000236768982 970169587 /nfs/dbraw/zinc/16/95/87/970169587.db2.gz QQFCYCDAVJCEGR-UHFFFAOYSA-N 2 2 413.319 3.545 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000236891260 970185374 /nfs/dbraw/zinc/18/53/74/970185374.db2.gz CKLNGYUBYGMYRP-YADHBBJMSA-N 2 2 423.557 3.819 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000236891260 970185376 /nfs/dbraw/zinc/18/53/76/970185376.db2.gz CKLNGYUBYGMYRP-YADHBBJMSA-N 2 2 423.557 3.819 20 0 HHADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1cccs1 ZINC000237267803 970251742 /nfs/dbraw/zinc/25/17/42/970251742.db2.gz JBUJMFCPXJKLOA-IBGZPJMESA-N 2 2 404.576 3.518 20 0 HHADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OCC(F)(F)F ZINC000237276459 970253192 /nfs/dbraw/zinc/25/31/92/970253192.db2.gz QIYIBLDGLVOZSJ-UHFFFAOYSA-N 2 2 424.463 3.758 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000237395873 970277042 /nfs/dbraw/zinc/27/70/42/970277042.db2.gz HKOSXTDRNSMZAU-OAHLLOKOSA-N 2 2 412.465 3.536 20 0 HHADLP O=C1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC000237915286 970392760 /nfs/dbraw/zinc/39/27/60/970392760.db2.gz KKNKGBFKNRYQFF-HXUWFJFHSA-N 2 2 412.440 3.759 20 0 HHADLP Cc1cc(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000326643293 972745415 /nfs/dbraw/zinc/74/54/15/972745415.db2.gz VCGXYKXBEQFLIG-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP Cc1cc(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000326643293 972745428 /nfs/dbraw/zinc/74/54/28/972745428.db2.gz VCGXYKXBEQFLIG-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCC1 ZINC000409527823 972983919 /nfs/dbraw/zinc/98/39/19/972983919.db2.gz FBDVZEVYHAPUPJ-IFMALSPDSA-N 2 2 415.965 3.905 20 0 HHADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000409716020 973190081 /nfs/dbraw/zinc/19/00/81/973190081.db2.gz JXAJWGVUOWBILY-RHSMWYFYSA-N 2 2 421.358 3.599 20 0 HHADLP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292108 973822819 /nfs/dbraw/zinc/82/28/19/973822819.db2.gz WVFONWUHEUCMQX-YADHBBJMSA-N 2 2 406.574 3.838 20 0 HHADLP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292108 973822825 /nfs/dbraw/zinc/82/28/25/973822825.db2.gz WVFONWUHEUCMQX-YADHBBJMSA-N 2 2 406.574 3.838 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4cnc5ccccc5c4)C3)CC2)nc1 ZINC000410337302 973920405 /nfs/dbraw/zinc/92/04/05/973920405.db2.gz MZWOEMOOGWXBJL-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4cnc5ccccc5c4)C3)CC2)nc1 ZINC000410337302 973920435 /nfs/dbraw/zinc/92/04/35/973920435.db2.gz MZWOEMOOGWXBJL-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP C[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988843 974100462 /nfs/dbraw/zinc/10/04/62/974100462.db2.gz PQUGZIZGIMIMST-DHIUTWEWSA-N 2 2 403.530 3.543 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988843 974100465 /nfs/dbraw/zinc/10/04/65/974100465.db2.gz PQUGZIZGIMIMST-DHIUTWEWSA-N 2 2 403.530 3.543 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026097 974147286 /nfs/dbraw/zinc/14/72/86/974147286.db2.gz ZEPHJCCSYZGZQA-FCHUYYIVSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026097 974147303 /nfs/dbraw/zinc/14/73/03/974147303.db2.gz ZEPHJCCSYZGZQA-FCHUYYIVSA-N 2 2 414.981 3.551 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426041421 974163937 /nfs/dbraw/zinc/16/39/37/974163937.db2.gz FEYUMBRQMWPQPW-DHIUTWEWSA-N 2 2 403.530 3.673 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426805247 974673302 /nfs/dbraw/zinc/67/33/02/974673302.db2.gz ZRBOCHMEAKGSKR-IRXDYDNUSA-N 2 2 424.545 3.793 20 0 HHADLP Cc1ccc(-c2c[nH]cc2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000427238342 974998657 /nfs/dbraw/zinc/99/86/57/974998657.db2.gz IPEJLMQXJMIKBV-UHFFFAOYSA-N 2 2 400.592 3.732 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1OC ZINC000427850339 975320932 /nfs/dbraw/zinc/32/09/32/975320932.db2.gz AOJKIMOJGFMUKB-WMLDXEAASA-N 2 2 412.559 3.922 20 0 HHADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000427889265 975334055 /nfs/dbraw/zinc/33/40/55/975334055.db2.gz WADRVHPQMHUZJG-WMZHIEFXSA-N 2 2 409.555 3.597 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258401 975572355 /nfs/dbraw/zinc/57/23/55/975572355.db2.gz FCSAJYIYEHUNPA-QHAWAJNXSA-N 2 2 422.495 3.634 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258401 975572364 /nfs/dbraw/zinc/57/23/64/975572364.db2.gz FCSAJYIYEHUNPA-QHAWAJNXSA-N 2 2 422.495 3.634 20 0 HHADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000428546281 975851805 /nfs/dbraw/zinc/85/18/05/975851805.db2.gz XGYPCXKLVXZDQH-HRTMPFAESA-N 2 2 402.579 3.768 20 0 HHADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000428546281 975851814 /nfs/dbraw/zinc/85/18/14/975851814.db2.gz XGYPCXKLVXZDQH-HRTMPFAESA-N 2 2 402.579 3.768 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000428546301 975853093 /nfs/dbraw/zinc/85/30/93/975853093.db2.gz AEWUZWCBTKDUNG-UHFFFAOYSA-N 2 2 409.578 3.937 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000428578384 975889517 /nfs/dbraw/zinc/88/95/17/975889517.db2.gz YXABLZLTWXNYKY-IBGZPJMESA-N 2 2 417.623 3.841 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000428578384 975889529 /nfs/dbraw/zinc/88/95/29/975889529.db2.gz YXABLZLTWXNYKY-IBGZPJMESA-N 2 2 417.623 3.841 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428635811 975937722 /nfs/dbraw/zinc/93/77/22/975937722.db2.gz HOSZXMOAFQRHTK-HYBUGGRVSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428635811 975937732 /nfs/dbraw/zinc/93/77/32/975937732.db2.gz HOSZXMOAFQRHTK-HYBUGGRVSA-N 2 2 417.557 3.784 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000428693013 975983511 /nfs/dbraw/zinc/98/35/11/975983511.db2.gz YVHBRDLMVPIITC-UHFFFAOYSA-N 2 2 411.594 3.574 20 0 HHADLP O=C(C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000428722755 976010658 /nfs/dbraw/zinc/01/06/58/976010658.db2.gz YDJWXHSXOJROCX-UHFFFAOYSA-N 2 2 410.389 3.916 20 0 HHADLP CC(C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)c1ccccc1 ZINC000428883365 976177514 /nfs/dbraw/zinc/17/75/14/976177514.db2.gz SEFLSHDKKIPEGM-NRFANRHFSA-N 2 2 409.574 3.607 20 0 HHADLP CC(C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)c1ccccc1 ZINC000428883365 976177518 /nfs/dbraw/zinc/17/75/18/976177518.db2.gz SEFLSHDKKIPEGM-NRFANRHFSA-N 2 2 409.574 3.607 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C(C)(C)c3ccccc3F)n2)CC1 ZINC000429236094 976525922 /nfs/dbraw/zinc/52/59/22/976525922.db2.gz KTUGZUGJPZUJLM-UHFFFAOYSA-N 2 2 404.555 3.978 20 0 HHADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429451968 976727892 /nfs/dbraw/zinc/72/78/92/976727892.db2.gz YPZQZUDFHUDEMJ-ZEQRLZLVSA-N 2 2 400.538 3.654 20 0 HHADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429451968 976727897 /nfs/dbraw/zinc/72/78/97/976727897.db2.gz YPZQZUDFHUDEMJ-ZEQRLZLVSA-N 2 2 400.538 3.654 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000430172671 977367637 /nfs/dbraw/zinc/36/76/37/977367637.db2.gz VDCAQMBFRKAMJF-AWEZNQCLSA-N 2 2 401.382 3.722 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000430172671 977367642 /nfs/dbraw/zinc/36/76/42/977367642.db2.gz VDCAQMBFRKAMJF-AWEZNQCLSA-N 2 2 401.382 3.722 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000430485654 977591497 /nfs/dbraw/zinc/59/14/97/977591497.db2.gz PVKDTMSBMZLZFC-HXUWFJFHSA-N 2 2 400.542 3.735 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000430485654 977591503 /nfs/dbraw/zinc/59/15/03/977591503.db2.gz PVKDTMSBMZLZFC-HXUWFJFHSA-N 2 2 400.542 3.735 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810679 977771265 /nfs/dbraw/zinc/77/12/65/977771265.db2.gz MLHZPEYLFLFPQD-VEXUSMLFSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810679 977771272 /nfs/dbraw/zinc/77/12/72/977771272.db2.gz MLHZPEYLFLFPQD-VEXUSMLFSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810679 977771282 /nfs/dbraw/zinc/77/12/82/977771282.db2.gz MLHZPEYLFLFPQD-VEXUSMLFSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810679 977771293 /nfs/dbraw/zinc/77/12/93/977771293.db2.gz MLHZPEYLFLFPQD-VEXUSMLFSA-N 2 2 410.558 3.614 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000430911544 977880533 /nfs/dbraw/zinc/88/05/33/977880533.db2.gz HPRLAEQXCROGEX-OAQYLSRUSA-N 2 2 404.514 3.643 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000430911544 977880542 /nfs/dbraw/zinc/88/05/42/977880542.db2.gz HPRLAEQXCROGEX-OAQYLSRUSA-N 2 2 404.514 3.643 20 0 HHADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430932462 977896644 /nfs/dbraw/zinc/89/66/44/977896644.db2.gz YWDGJLVEESLSFA-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430932462 977896655 /nfs/dbraw/zinc/89/66/55/977896655.db2.gz YWDGJLVEESLSFA-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cc(C)c(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430958426 977913203 /nfs/dbraw/zinc/91/32/03/977913203.db2.gz XURBAXKIVMWJML-UHFFFAOYSA-N 3 2 414.638 3.678 20 0 HHADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430958426 977913206 /nfs/dbraw/zinc/91/32/06/977913206.db2.gz XURBAXKIVMWJML-UHFFFAOYSA-N 3 2 414.638 3.678 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000431330862 978216013 /nfs/dbraw/zinc/21/60/13/978216013.db2.gz DIYKCWRTAVVKJL-HXUWFJFHSA-N 2 2 400.954 3.799 20 0 HHADLP Cc1ccccc1[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431646651 978405979 /nfs/dbraw/zinc/40/59/79/978405979.db2.gz XZXSNWOQUBMMLV-JOCHJYFZSA-N 2 2 400.611 3.940 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431800467 978523330 /nfs/dbraw/zinc/52/33/30/978523330.db2.gz LMDSSQOVCXERPH-NRFANRHFSA-N 2 2 402.542 3.597 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431800467 978523333 /nfs/dbraw/zinc/52/33/33/978523333.db2.gz LMDSSQOVCXERPH-NRFANRHFSA-N 2 2 402.542 3.597 20 0 HHADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Br)cc1 ZINC000431927069 978606137 /nfs/dbraw/zinc/60/61/37/978606137.db2.gz RJBYEYNZMROCPC-MRXNPFEDSA-N 2 2 422.411 3.618 20 0 HHADLP O=C(CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000432025004 978651583 /nfs/dbraw/zinc/65/15/83/978651583.db2.gz NGHWGDBSJJZKMV-OAQYLSRUSA-N 2 2 414.500 3.626 20 0 HHADLP O=C(CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000432025004 978651585 /nfs/dbraw/zinc/65/15/85/978651585.db2.gz NGHWGDBSJJZKMV-OAQYLSRUSA-N 2 2 414.500 3.626 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000432528865 978866708 /nfs/dbraw/zinc/86/67/08/978866708.db2.gz XYOJDKOFLDRLEB-KITAHSCOSA-N 2 2 415.375 3.704 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000432528865 978866723 /nfs/dbraw/zinc/86/67/23/978866723.db2.gz XYOJDKOFLDRLEB-KITAHSCOSA-N 2 2 415.375 3.704 20 0 HHADLP CCC[N@H+](Cc1nc(C(=O)OCC)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000432776143 978970993 /nfs/dbraw/zinc/97/09/93/978970993.db2.gz LWRIREUEPKFQDF-UHFFFAOYSA-N 2 2 417.579 3.608 20 0 HHADLP CCC[N@@H+](Cc1nc(C(=O)OCC)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000432776143 978970997 /nfs/dbraw/zinc/97/09/97/978970997.db2.gz LWRIREUEPKFQDF-UHFFFAOYSA-N 2 2 417.579 3.608 20 0 HHADLP Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050951 979052241 /nfs/dbraw/zinc/05/22/41/979052241.db2.gz FQUSXVHQTKEBNH-UHFFFAOYSA-N 2 2 416.573 3.767 20 0 HHADLP Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050951 979052245 /nfs/dbraw/zinc/05/22/45/979052245.db2.gz FQUSXVHQTKEBNH-UHFFFAOYSA-N 2 2 416.573 3.767 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000433146543 979099373 /nfs/dbraw/zinc/09/93/73/979099373.db2.gz LVOBZRSQYSSVRI-UHFFFAOYSA-N 2 2 420.601 3.869 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000433146543 979099380 /nfs/dbraw/zinc/09/93/80/979099380.db2.gz LVOBZRSQYSSVRI-UHFFFAOYSA-N 2 2 420.601 3.869 20 0 HHADLP COC(=O)c1cc([C@H](C)[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205833 979141067 /nfs/dbraw/zinc/14/10/67/979141067.db2.gz FIHCAAMTJMYZFH-KSSFIOAISA-N 2 2 403.548 3.879 20 0 HHADLP COC(=O)c1cc([C@H](C)[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205833 979141073 /nfs/dbraw/zinc/14/10/73/979141073.db2.gz FIHCAAMTJMYZFH-KSSFIOAISA-N 2 2 403.548 3.879 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265165 979199650 /nfs/dbraw/zinc/19/96/50/979199650.db2.gz HCOFMMDUCRRBNC-RYGJVYDSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265165 979199654 /nfs/dbraw/zinc/19/96/54/979199654.db2.gz HCOFMMDUCRRBNC-RYGJVYDSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265165 979199661 /nfs/dbraw/zinc/19/96/61/979199661.db2.gz HCOFMMDUCRRBNC-RYGJVYDSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265165 979199666 /nfs/dbraw/zinc/19/96/66/979199666.db2.gz HCOFMMDUCRRBNC-RYGJVYDSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265164 979199934 /nfs/dbraw/zinc/19/99/34/979199934.db2.gz HCOFMMDUCRRBNC-CWFSZBLJSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265164 979199938 /nfs/dbraw/zinc/19/99/38/979199938.db2.gz HCOFMMDUCRRBNC-CWFSZBLJSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265164 979199940 /nfs/dbraw/zinc/19/99/40/979199940.db2.gz HCOFMMDUCRRBNC-CWFSZBLJSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265164 979199945 /nfs/dbraw/zinc/19/99/45/979199945.db2.gz HCOFMMDUCRRBNC-CWFSZBLJSA-N 2 2 418.379 3.503 20 0 HHADLP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)CC1 ZINC000433524472 979357469 /nfs/dbraw/zinc/35/74/69/979357469.db2.gz JOOZRIBKHDRUSS-UHFFFAOYSA-N 2 2 417.395 3.992 20 0 HHADLP Cc1nc(-c2ccccc2NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000433793356 979578327 /nfs/dbraw/zinc/57/83/27/979578327.db2.gz SECRBRVCUHFUSS-UHFFFAOYSA-N 2 2 401.580 3.608 20 0 HHADLP Cc1nc(-c2ccccc2NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000433793356 979578331 /nfs/dbraw/zinc/57/83/31/979578331.db2.gz SECRBRVCUHFUSS-UHFFFAOYSA-N 2 2 401.580 3.608 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903225 979664961 /nfs/dbraw/zinc/66/49/61/979664961.db2.gz GURGNFMQEXVFNY-VDGAXYAQSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903225 979664964 /nfs/dbraw/zinc/66/49/64/979664964.db2.gz GURGNFMQEXVFNY-VDGAXYAQSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903225 979664968 /nfs/dbraw/zinc/66/49/68/979664968.db2.gz GURGNFMQEXVFNY-VDGAXYAQSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903225 979664972 /nfs/dbraw/zinc/66/49/72/979664972.db2.gz GURGNFMQEXVFNY-VDGAXYAQSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)Cc1ccccc1 ZINC000433994534 979742776 /nfs/dbraw/zinc/74/27/76/979742776.db2.gz OVKZNOFTDLXZJL-UHFFFAOYSA-N 2 2 409.578 3.631 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)Cc1ccccc1 ZINC000433994534 979742783 /nfs/dbraw/zinc/74/27/83/979742783.db2.gz OVKZNOFTDLXZJL-UHFFFAOYSA-N 2 2 409.578 3.631 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000434184354 979949822 /nfs/dbraw/zinc/94/98/22/979949822.db2.gz SCOWHZDYTYSXCC-UHFFFAOYSA-N 2 2 404.514 3.932 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2)CC1 ZINC000434271329 980032860 /nfs/dbraw/zinc/03/28/60/980032860.db2.gz XDIQRAHOWBDWPB-PKTZIBPZSA-N 2 2 408.546 3.718 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@@H+]1Cc1ccccc1 ZINC000434288488 980049050 /nfs/dbraw/zinc/04/90/50/980049050.db2.gz RFMDMKZQJRWNMF-KNQAVFIVSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@H+]1Cc1ccccc1 ZINC000434288488 980049056 /nfs/dbraw/zinc/04/90/56/980049056.db2.gz RFMDMKZQJRWNMF-KNQAVFIVSA-N 2 2 421.589 3.771 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000434541176 980240418 /nfs/dbraw/zinc/24/04/18/980240418.db2.gz SFNFDJCHXHZEMM-UHFFFAOYSA-N 2 2 412.405 3.802 20 0 HHADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434683009 980337439 /nfs/dbraw/zinc/33/74/39/980337439.db2.gz DTJBEUSYKHWAQL-UHFFFAOYSA-N 2 2 424.589 3.553 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688236 980340441 /nfs/dbraw/zinc/34/04/41/980340441.db2.gz JYCKRALMZVRTQI-ZWKOTPCHSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000434689636 980341511 /nfs/dbraw/zinc/34/15/11/980341511.db2.gz WZUCYQWEFIQHBZ-UHFFFAOYSA-N 2 2 402.926 3.700 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1OC(F)F ZINC000434690066 980342027 /nfs/dbraw/zinc/34/20/27/980342027.db2.gz ZAVFUXCHMUBVEH-UHFFFAOYSA-N 2 2 404.461 3.639 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000434734434 980368613 /nfs/dbraw/zinc/36/86/13/980368613.db2.gz GAHXJHLSNDRAEZ-UHFFFAOYSA-N 2 2 420.601 3.880 20 0 HHADLP COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000434750006 980378104 /nfs/dbraw/zinc/37/81/04/980378104.db2.gz UCZHLNYNESLTCY-GOSISDBHSA-N 2 2 412.578 3.907 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000436271455 981278733 /nfs/dbraw/zinc/27/87/33/981278733.db2.gz DHEZLZUPPUTVPX-UHFFFAOYSA-N 2 2 414.509 3.628 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600194 981468055 /nfs/dbraw/zinc/46/80/55/981468055.db2.gz DPBAXKALNGVUOA-VXKWHMMOSA-N 2 2 401.595 3.925 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600194 981468057 /nfs/dbraw/zinc/46/80/57/981468057.db2.gz DPBAXKALNGVUOA-VXKWHMMOSA-N 2 2 401.595 3.925 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000437044618 981714882 /nfs/dbraw/zinc/71/48/82/981714882.db2.gz XPJNYXHSUQXEHL-CPJSRVTESA-N 2 2 412.622 3.806 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525526 981853621 /nfs/dbraw/zinc/85/36/21/981853621.db2.gz RFMDIAZWBIOZAW-LRQRDZAKSA-N 2 2 424.992 3.815 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525526 981853625 /nfs/dbraw/zinc/85/36/25/981853625.db2.gz RFMDIAZWBIOZAW-LRQRDZAKSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525526 981853634 /nfs/dbraw/zinc/85/36/34/981853634.db2.gz RFMDIAZWBIOZAW-LRQRDZAKSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525526 981853644 /nfs/dbraw/zinc/85/36/44/981853644.db2.gz RFMDIAZWBIOZAW-LRQRDZAKSA-N 2 2 424.992 3.815 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000437633816 982254287 /nfs/dbraw/zinc/25/42/87/982254287.db2.gz YSCOYDYDXWDTGN-BJKOFHAPSA-N 2 2 406.574 3.554 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000460492232 982281359 /nfs/dbraw/zinc/28/13/59/982281359.db2.gz IISDAOLAWJHYEM-UHFFFAOYSA-N 2 2 407.986 3.564 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000437736215 982327349 /nfs/dbraw/zinc/32/73/49/982327349.db2.gz LRPOTVZHDTXNEW-ZVDOUQERSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000437736215 982327356 /nfs/dbraw/zinc/32/73/56/982327356.db2.gz LRPOTVZHDTXNEW-ZVDOUQERSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000437736215 982327364 /nfs/dbraw/zinc/32/73/64/982327364.db2.gz LRPOTVZHDTXNEW-ZVDOUQERSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000437736215 982327370 /nfs/dbraw/zinc/32/73/70/982327370.db2.gz LRPOTVZHDTXNEW-ZVDOUQERSA-N 2 2 402.583 3.634 20 0 HHADLP CC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438068028 982567766 /nfs/dbraw/zinc/56/77/66/982567766.db2.gz XHQCVULKKZSKHN-FQEVSTJZSA-N 2 2 411.512 3.874 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000438107583 982591820 /nfs/dbraw/zinc/59/18/20/982591820.db2.gz WYZFUZKVDCNOJC-UHFFFAOYSA-N 2 2 416.463 3.916 20 0 HHADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000438218843 982659516 /nfs/dbraw/zinc/65/95/16/982659516.db2.gz WGDYAERGERZGTN-UHFFFAOYSA-N 2 2 411.550 3.672 20 0 HHADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000438218843 982659522 /nfs/dbraw/zinc/65/95/22/982659522.db2.gz WGDYAERGERZGTN-UHFFFAOYSA-N 2 2 411.550 3.672 20 0 HHADLP COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000438323209 982723494 /nfs/dbraw/zinc/72/34/94/982723494.db2.gz POJUVEGKZKZCDZ-QFIPXVFZSA-N 2 2 400.950 3.926 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000438348374 982737202 /nfs/dbraw/zinc/73/72/02/982737202.db2.gz KAZPHTPWURARNC-JOCHJYFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000438348374 982737208 /nfs/dbraw/zinc/73/72/08/982737208.db2.gz KAZPHTPWURARNC-JOCHJYFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000438348374 982737212 /nfs/dbraw/zinc/73/72/12/982737212.db2.gz KAZPHTPWURARNC-JOCHJYFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000438348374 982737221 /nfs/dbraw/zinc/73/72/21/982737221.db2.gz KAZPHTPWURARNC-JOCHJYFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ncc(Br)cn1 ZINC000438993984 983199707 /nfs/dbraw/zinc/19/97/07/983199707.db2.gz YDXUSYSQYXACIM-HNNXBMFYSA-N 2 2 404.356 3.934 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ncc(Br)cn1 ZINC000438993984 983199710 /nfs/dbraw/zinc/19/97/10/983199710.db2.gz YDXUSYSQYXACIM-HNNXBMFYSA-N 2 2 404.356 3.934 20 0 HHADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602279 983467454 /nfs/dbraw/zinc/46/74/54/983467454.db2.gz FHACRYHJZKXNMQ-UWVAXJGDSA-N 2 2 404.580 4.215 20 0 HHADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602279 983467456 /nfs/dbraw/zinc/46/74/56/983467456.db2.gz FHACRYHJZKXNMQ-UWVAXJGDSA-N 2 2 404.580 4.215 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)CC1 ZINC000439953680 983592841 /nfs/dbraw/zinc/59/28/41/983592841.db2.gz JHBZYQMDWWGKOV-UHFFFAOYSA-N 2 2 403.329 3.813 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298639 984164844 /nfs/dbraw/zinc/16/48/44/984164844.db2.gz WIYCQBQGSDTRSR-FCHUYYIVSA-N 2 2 413.562 3.851 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298639 984164847 /nfs/dbraw/zinc/16/48/47/984164847.db2.gz WIYCQBQGSDTRSR-FCHUYYIVSA-N 2 2 413.562 3.851 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341204 984196692 /nfs/dbraw/zinc/19/66/92/984196692.db2.gz SQKQJBQXHNABBU-LPHOPBHVSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341204 984196709 /nfs/dbraw/zinc/19/67/09/984196709.db2.gz SQKQJBQXHNABBU-LPHOPBHVSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441341204 984196713 /nfs/dbraw/zinc/19/67/13/984196713.db2.gz SQKQJBQXHNABBU-LPHOPBHVSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441341204 984196715 /nfs/dbraw/zinc/19/67/15/984196715.db2.gz SQKQJBQXHNABBU-LPHOPBHVSA-N 2 2 410.400 3.602 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)c(C)c1 ZINC000441382292 984221444 /nfs/dbraw/zinc/22/14/44/984221444.db2.gz TYSREVIFCNLKFG-GHTZIAJQSA-N 2 2 408.571 3.866 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441385946 984223705 /nfs/dbraw/zinc/22/37/05/984223705.db2.gz OBFQLDTZCOUBMS-SIKLNZKXSA-N 2 2 406.530 3.544 20 0 HHADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392147 984226878 /nfs/dbraw/zinc/22/68/78/984226878.db2.gz IHMZBMJCBQAGSZ-HRNWHPSISA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392147 984226884 /nfs/dbraw/zinc/22/68/84/984226884.db2.gz IHMZBMJCBQAGSZ-HRNWHPSISA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392147 984226888 /nfs/dbraw/zinc/22/68/88/984226888.db2.gz IHMZBMJCBQAGSZ-HRNWHPSISA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392147 984226897 /nfs/dbraw/zinc/22/68/97/984226897.db2.gz IHMZBMJCBQAGSZ-HRNWHPSISA-N 3 2 414.682 3.662 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404375 984234081 /nfs/dbraw/zinc/23/40/81/984234081.db2.gz NFXGPSUNZBRASD-SIKLNZKXSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404375 984234084 /nfs/dbraw/zinc/23/40/84/984234084.db2.gz NFXGPSUNZBRASD-SIKLNZKXSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404375 984234087 /nfs/dbraw/zinc/23/40/87/984234087.db2.gz NFXGPSUNZBRASD-SIKLNZKXSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441404375 984234090 /nfs/dbraw/zinc/23/40/90/984234090.db2.gz NFXGPSUNZBRASD-SIKLNZKXSA-N 2 2 401.570 3.902 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408153 984236965 /nfs/dbraw/zinc/23/69/65/984236965.db2.gz WGYPUZKHIBAVMY-VQIMIIECSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408153 984236968 /nfs/dbraw/zinc/23/69/68/984236968.db2.gz WGYPUZKHIBAVMY-VQIMIIECSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408153 984236971 /nfs/dbraw/zinc/23/69/71/984236971.db2.gz WGYPUZKHIBAVMY-VQIMIIECSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408153 984236976 /nfs/dbraw/zinc/23/69/76/984236976.db2.gz WGYPUZKHIBAVMY-VQIMIIECSA-N 2 2 410.389 3.601 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415313 984239593 /nfs/dbraw/zinc/23/95/93/984239593.db2.gz MEIWHPWEYNQNEM-DHLKQENFSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415313 984239596 /nfs/dbraw/zinc/23/95/96/984239596.db2.gz MEIWHPWEYNQNEM-DHLKQENFSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441415313 984239601 /nfs/dbraw/zinc/23/96/01/984239601.db2.gz MEIWHPWEYNQNEM-DHLKQENFSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441415313 984239606 /nfs/dbraw/zinc/23/96/06/984239606.db2.gz MEIWHPWEYNQNEM-DHLKQENFSA-N 2 2 421.585 3.756 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424547 984243999 /nfs/dbraw/zinc/24/39/99/984243999.db2.gz VDFKFDZQKLWDCJ-CVDCTZTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424547 984244003 /nfs/dbraw/zinc/24/40/03/984244003.db2.gz VDFKFDZQKLWDCJ-CVDCTZTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424547 984244007 /nfs/dbraw/zinc/24/40/07/984244007.db2.gz VDFKFDZQKLWDCJ-CVDCTZTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424547 984244013 /nfs/dbraw/zinc/24/40/13/984244013.db2.gz VDFKFDZQKLWDCJ-CVDCTZTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424548 984244065 /nfs/dbraw/zinc/24/40/65/984244065.db2.gz VDFKFDZQKLWDCJ-WMZHIEFXSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424548 984244069 /nfs/dbraw/zinc/24/40/69/984244069.db2.gz VDFKFDZQKLWDCJ-WMZHIEFXSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424548 984244073 /nfs/dbraw/zinc/24/40/73/984244073.db2.gz VDFKFDZQKLWDCJ-WMZHIEFXSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424548 984244077 /nfs/dbraw/zinc/24/40/77/984244077.db2.gz VDFKFDZQKLWDCJ-WMZHIEFXSA-N 2 2 413.581 3.702 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000442231590 984751281 /nfs/dbraw/zinc/75/12/81/984751281.db2.gz ALJHIDDLQYXQNP-GOTSBHOMSA-N 2 2 423.536 3.982 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000442239492 984760670 /nfs/dbraw/zinc/76/06/70/984760670.db2.gz LGOJDZQPOUVWJP-JTHBVZDNSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000442400757 984907725 /nfs/dbraw/zinc/90/77/25/984907725.db2.gz YVFZEHAEXDATCO-IBGZPJMESA-N 2 2 408.550 3.709 20 0 HHADLP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462007703 984987181 /nfs/dbraw/zinc/98/71/81/984987181.db2.gz NJUCXAISSHODQT-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462007703 984987186 /nfs/dbraw/zinc/98/71/86/984987186.db2.gz NJUCXAISSHODQT-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000462011435 984989797 /nfs/dbraw/zinc/98/97/97/984989797.db2.gz QZYZJGNLWBZDRU-UHFFFAOYSA-N 2 2 402.542 3.961 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000462011435 984989800 /nfs/dbraw/zinc/98/98/00/984989800.db2.gz QZYZJGNLWBZDRU-UHFFFAOYSA-N 2 2 402.542 3.961 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254251 985238771 /nfs/dbraw/zinc/23/87/71/985238771.db2.gz BQAOUZUHSKFYCO-KNQAVFIVSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254251 985238782 /nfs/dbraw/zinc/23/87/82/985238782.db2.gz BQAOUZUHSKFYCO-KNQAVFIVSA-N 2 2 419.529 3.604 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000462842020 985765596 /nfs/dbraw/zinc/76/55/96/985765596.db2.gz CBBJLEJSJRVJJE-LJQANCHMSA-N 2 2 411.546 3.577 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077059 986034805 /nfs/dbraw/zinc/03/48/05/986034805.db2.gz MFDPAVITWIWUHI-RCZVLFRGSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077059 986034816 /nfs/dbraw/zinc/03/48/16/986034816.db2.gz MFDPAVITWIWUHI-RCZVLFRGSA-N 2 2 423.601 3.540 20 0 HHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)COc1cccc(Cl)c1Cl ZINC000463078782 986035808 /nfs/dbraw/zinc/03/58/08/986035808.db2.gz UBVYYKRMKLSPOB-CYBMUJFWSA-N 2 2 415.283 3.740 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463079476 986037191 /nfs/dbraw/zinc/03/71/91/986037191.db2.gz CCVJTNUFUGDIMF-GJZUVCINSA-N 3 2 406.618 3.577 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463079476 986037199 /nfs/dbraw/zinc/03/71/99/986037199.db2.gz CCVJTNUFUGDIMF-GJZUVCINSA-N 3 2 406.618 3.577 20 0 HHADLP O=C1CCCN1C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000463135517 986102518 /nfs/dbraw/zinc/10/25/18/986102518.db2.gz CBRLDGVDQQNTMU-DEOSSOPVSA-N 2 2 409.549 3.786 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000463197927 986169707 /nfs/dbraw/zinc/16/97/07/986169707.db2.gz KLFRVWMYBOWGJY-MJGOQNOKSA-N 2 2 404.580 3.812 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468532011 986237357 /nfs/dbraw/zinc/23/73/57/986237357.db2.gz OPUJZATTZSYNGB-FQEVSTJZSA-N 2 2 410.553 3.719 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468532011 986237368 /nfs/dbraw/zinc/23/73/68/986237368.db2.gz OPUJZATTZSYNGB-FQEVSTJZSA-N 2 2 410.553 3.719 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444045875 986243260 /nfs/dbraw/zinc/24/32/60/986243260.db2.gz MBEQJNFXMAOGKG-SIKLNZKXSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444045875 986243270 /nfs/dbraw/zinc/24/32/70/986243270.db2.gz MBEQJNFXMAOGKG-SIKLNZKXSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444045874 986243448 /nfs/dbraw/zinc/24/34/48/986243448.db2.gz MBEQJNFXMAOGKG-KNQAVFIVSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444045874 986243458 /nfs/dbraw/zinc/24/34/58/986243458.db2.gz MBEQJNFXMAOGKG-KNQAVFIVSA-N 2 2 409.578 3.884 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000463286344 986253279 /nfs/dbraw/zinc/25/32/79/986253279.db2.gz LHKQUUSMGLUWDP-JOCHJYFZSA-N 2 2 415.940 3.881 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000463304239 986271681 /nfs/dbraw/zinc/27/16/81/986271681.db2.gz FUZPCOKDLVUAGJ-FHWLQOOXSA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000463304239 986271695 /nfs/dbraw/zinc/27/16/95/986271695.db2.gz FUZPCOKDLVUAGJ-FHWLQOOXSA-N 2 2 404.624 3.789 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197980 986376172 /nfs/dbraw/zinc/37/61/72/986376172.db2.gz SQSMGSCCVPBPBL-MZKRTTBSSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197980 986376176 /nfs/dbraw/zinc/37/61/76/986376176.db2.gz SQSMGSCCVPBPBL-MZKRTTBSSA-N 2 2 423.605 3.987 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000444208418 986389711 /nfs/dbraw/zinc/38/97/11/986389711.db2.gz YKKYLPBIIFWOOY-QFIPXVFZSA-N 2 2 409.578 3.885 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210494 986391805 /nfs/dbraw/zinc/39/18/05/986391805.db2.gz HSHMAIVUZDNFAC-YLJYHZDGSA-N 2 2 407.505 3.591 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210494 986391809 /nfs/dbraw/zinc/39/18/09/986391809.db2.gz HSHMAIVUZDNFAC-YLJYHZDGSA-N 2 2 407.505 3.591 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211364 986393064 /nfs/dbraw/zinc/39/30/64/986393064.db2.gz JVVQYDAZBXKKKR-ZJSXRUAMSA-N 2 2 413.606 3.947 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211364 986393069 /nfs/dbraw/zinc/39/30/69/986393069.db2.gz JVVQYDAZBXKKKR-ZJSXRUAMSA-N 2 2 413.606 3.947 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437352 986414918 /nfs/dbraw/zinc/41/49/18/986414918.db2.gz POBXGNYBTMSCBA-IZZNHLLZSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437352 986414921 /nfs/dbraw/zinc/41/49/21/986414921.db2.gz POBXGNYBTMSCBA-IZZNHLLZSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437352 986414924 /nfs/dbraw/zinc/41/49/24/986414924.db2.gz POBXGNYBTMSCBA-IZZNHLLZSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437352 986414928 /nfs/dbraw/zinc/41/49/28/986414928.db2.gz POBXGNYBTMSCBA-IZZNHLLZSA-N 2 2 408.586 3.595 20 0 HHADLP C[NH+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cccc(Cl)c1 ZINC000444460372 986642733 /nfs/dbraw/zinc/64/27/33/986642733.db2.gz JZQBKRGFFSKDRL-OAQYLSRUSA-N 2 2 401.938 3.538 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000444617192 986802315 /nfs/dbraw/zinc/80/23/15/986802315.db2.gz PQSBVBRRHONVHH-UHFFFAOYSA-N 2 2 408.493 3.585 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000444617192 986802325 /nfs/dbraw/zinc/80/23/25/986802325.db2.gz PQSBVBRRHONVHH-UHFFFAOYSA-N 2 2 408.493 3.585 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C(F)(F)F)cc3)CC2)CC1 ZINC000469126608 986846096 /nfs/dbraw/zinc/84/60/96/986846096.db2.gz ZSWIKTJOXMNLRF-UHFFFAOYSA-N 2 2 411.512 3.815 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc(O)c1 ZINC000444748496 986912516 /nfs/dbraw/zinc/91/25/16/986912516.db2.gz QJIOPXXHPHWQET-IBGZPJMESA-N 2 2 403.526 3.540 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469218215 986941132 /nfs/dbraw/zinc/94/11/32/986941132.db2.gz GWZAZCHUPMWANB-XXBNENTESA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469218215 986941138 /nfs/dbraw/zinc/94/11/38/986941138.db2.gz GWZAZCHUPMWANB-XXBNENTESA-N 2 2 408.546 3.676 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000444792421 986947256 /nfs/dbraw/zinc/94/72/56/986947256.db2.gz NDTVYBISCAVXFQ-KRWDZBQOSA-N 2 2 420.479 3.810 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000444792421 986947262 /nfs/dbraw/zinc/94/72/62/986947262.db2.gz NDTVYBISCAVXFQ-KRWDZBQOSA-N 2 2 420.479 3.810 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000444794987 986950353 /nfs/dbraw/zinc/95/03/53/986950353.db2.gz UEUYMXVGYGBBGJ-ZDUSSCGKSA-N 2 2 402.296 3.612 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000444794987 986950365 /nfs/dbraw/zinc/95/03/65/986950365.db2.gz UEUYMXVGYGBBGJ-ZDUSSCGKSA-N 2 2 402.296 3.612 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000469233627 986954299 /nfs/dbraw/zinc/95/42/99/986954299.db2.gz RUNWPMUXJDATLE-UHFFFAOYSA-N 2 2 424.589 3.960 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000444807744 986963655 /nfs/dbraw/zinc/96/36/55/986963655.db2.gz XIOMJJGVNVUUFG-QFIPXVFZSA-N 2 2 402.542 3.848 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000444807744 986963659 /nfs/dbraw/zinc/96/36/59/986963659.db2.gz XIOMJJGVNVUUFG-QFIPXVFZSA-N 2 2 402.542 3.848 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2)CC1 ZINC000469262011 986981313 /nfs/dbraw/zinc/98/13/13/986981313.db2.gz XDIQRAHOWBDWPB-GOTSBHOMSA-N 2 2 408.546 3.718 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367106 987064727 /nfs/dbraw/zinc/06/47/27/987064727.db2.gz JKVZYQIGWXERQP-DHIUTWEWSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367106 987064737 /nfs/dbraw/zinc/06/47/37/987064737.db2.gz JKVZYQIGWXERQP-DHIUTWEWSA-N 2 2 412.578 3.586 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000444917355 987065226 /nfs/dbraw/zinc/06/52/26/987065226.db2.gz DOCJLQNRIWEBET-LJQANCHMSA-N 2 2 411.550 3.696 20 0 HHADLP C[C@@H](Oc1cccc2ccccc21)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469487492 987167884 /nfs/dbraw/zinc/16/78/84/987167884.db2.gz ICICHZTUILMAAV-HXUWFJFHSA-N 2 2 409.574 3.674 20 0 HHADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000469741849 987392333 /nfs/dbraw/zinc/39/23/33/987392333.db2.gz OVAPEDIIRXJOLH-CJNGLKHVSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000469741849 987392336 /nfs/dbraw/zinc/39/23/36/987392336.db2.gz OVAPEDIIRXJOLH-CJNGLKHVSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469769340 987421289 /nfs/dbraw/zinc/42/12/89/987421289.db2.gz OQEWSHRTNSHGRJ-MNZLEMJZSA-N 2 2 415.607 3.520 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469769340 987421290 /nfs/dbraw/zinc/42/12/90/987421290.db2.gz OQEWSHRTNSHGRJ-MNZLEMJZSA-N 2 2 415.607 3.520 20 0 HHADLP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000469775129 987425036 /nfs/dbraw/zinc/42/50/36/987425036.db2.gz JEXUKNPTYGLBCZ-UHFFFAOYSA-N 2 2 414.460 3.734 20 0 HHADLP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469982320 987598605 /nfs/dbraw/zinc/59/86/05/987598605.db2.gz CUBJNWHTNOZYGF-GOSISDBHSA-N 2 2 416.006 3.635 20 0 HHADLP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469982320 987598611 /nfs/dbraw/zinc/59/86/11/987598611.db2.gz CUBJNWHTNOZYGF-GOSISDBHSA-N 2 2 416.006 3.635 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[N@@H+]2CCCOCC2)n1 ZINC000445668589 987737302 /nfs/dbraw/zinc/73/73/02/987737302.db2.gz OEJMOVZEQLDTBZ-UHFFFAOYSA-N 2 2 411.575 3.554 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[N@H+]2CCCOCC2)n1 ZINC000445668589 987737307 /nfs/dbraw/zinc/73/73/07/987737307.db2.gz OEJMOVZEQLDTBZ-UHFFFAOYSA-N 2 2 411.575 3.554 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000470300667 988259861 /nfs/dbraw/zinc/25/98/61/988259861.db2.gz ZGNFQSGTJMHGJK-FCHUYYIVSA-N 2 2 411.594 3.541 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000470300667 988259868 /nfs/dbraw/zinc/25/98/68/988259868.db2.gz ZGNFQSGTJMHGJK-FCHUYYIVSA-N 2 2 411.594 3.541 20 0 HHADLP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832105 989072304 /nfs/dbraw/zinc/07/23/04/989072304.db2.gz BOHUZUHVRKHXDD-PZJWPPBQSA-N 2 2 410.562 3.749 20 0 HHADLP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832105 989072313 /nfs/dbraw/zinc/07/23/13/989072313.db2.gz BOHUZUHVRKHXDD-PZJWPPBQSA-N 2 2 410.562 3.749 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000465419866 989765370 /nfs/dbraw/zinc/76/53/70/989765370.db2.gz BXUOKVCHMFSRJF-IBGZPJMESA-N 2 2 413.591 3.557 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465431468 989776416 /nfs/dbraw/zinc/77/64/16/989776416.db2.gz SOYVKWZJBZQNPZ-HSZRJFAPSA-N 2 2 421.589 3.604 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465431468 989776425 /nfs/dbraw/zinc/77/64/25/989776425.db2.gz SOYVKWZJBZQNPZ-HSZRJFAPSA-N 2 2 421.589 3.604 20 0 HHADLP COc1ccc2cc(CNC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc2c1 ZINC000465499184 989848631 /nfs/dbraw/zinc/84/86/31/989848631.db2.gz IGGPVYSHBGKECB-UHFFFAOYSA-N 2 2 424.589 3.598 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000465604356 989986529 /nfs/dbraw/zinc/98/65/29/989986529.db2.gz QQSUYTDACBOVTE-NRFANRHFSA-N 2 2 415.626 3.842 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000465604356 989986539 /nfs/dbraw/zinc/98/65/39/989986539.db2.gz QQSUYTDACBOVTE-NRFANRHFSA-N 2 2 415.626 3.842 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000465619892 990005745 /nfs/dbraw/zinc/00/57/45/990005745.db2.gz AHFOUVPXEKXIAK-NRFANRHFSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000465619892 990005753 /nfs/dbraw/zinc/00/57/53/990005753.db2.gz AHFOUVPXEKXIAK-NRFANRHFSA-N 2 2 417.557 3.737 20 0 HHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465701400 990087365 /nfs/dbraw/zinc/08/73/65/990087365.db2.gz UEQOGRRCEBBLIW-FQEVSTJZSA-N 2 2 416.610 3.851 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000465725218 990110926 /nfs/dbraw/zinc/11/09/26/990110926.db2.gz SRNOOGLVOFTSFC-HSZRJFAPSA-N 2 2 423.605 3.502 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000465778665 990161261 /nfs/dbraw/zinc/16/12/61/990161261.db2.gz BWKBGMPGRKPAQQ-UHFFFAOYSA-N 2 2 407.002 3.522 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465787980 990169372 /nfs/dbraw/zinc/16/93/72/990169372.db2.gz VGCAQGZUILZLMD-GOSISDBHSA-N 2 2 409.534 3.552 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465787980 990169377 /nfs/dbraw/zinc/16/93/77/990169377.db2.gz VGCAQGZUILZLMD-GOSISDBHSA-N 2 2 409.534 3.552 20 0 HHADLP CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465809092 990191339 /nfs/dbraw/zinc/19/13/39/990191339.db2.gz KEDOCUGQHYABJB-AVRDEDQJSA-N 2 2 416.610 3.883 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882857 991003250 /nfs/dbraw/zinc/00/32/50/991003250.db2.gz XTDRRSQEIQORAU-RBUKOAKNSA-N 2 2 410.965 3.569 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882857 991003257 /nfs/dbraw/zinc/00/32/57/991003257.db2.gz XTDRRSQEIQORAU-RBUKOAKNSA-N 2 2 410.965 3.569 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000465884891 991006554 /nfs/dbraw/zinc/00/65/54/991006554.db2.gz GTRFDTPNJAVRII-NRFANRHFSA-N 2 2 423.605 3.850 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000465884891 991006566 /nfs/dbraw/zinc/00/65/66/991006566.db2.gz GTRFDTPNJAVRII-NRFANRHFSA-N 2 2 423.605 3.850 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000465890134 991014832 /nfs/dbraw/zinc/01/48/32/991014832.db2.gz HATGGEYHKHVSEH-WMZHIEFXSA-N 2 2 417.557 3.880 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000465890134 991014837 /nfs/dbraw/zinc/01/48/37/991014837.db2.gz HATGGEYHKHVSEH-WMZHIEFXSA-N 2 2 417.557 3.880 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956196 991097086 /nfs/dbraw/zinc/09/70/86/991097086.db2.gz ONNYJPNLTLCBSH-DHIUTWEWSA-N 2 2 412.622 3.647 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1c1cccs1 ZINC000466074819 991248037 /nfs/dbraw/zinc/24/80/37/991248037.db2.gz GWRWYJPGOGSCOG-PXNSSMCTSA-N 2 2 418.632 3.720 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1c1cccs1 ZINC000466074819 991248044 /nfs/dbraw/zinc/24/80/44/991248044.db2.gz GWRWYJPGOGSCOG-PXNSSMCTSA-N 2 2 418.632 3.720 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466100033 991279324 /nfs/dbraw/zinc/27/93/24/991279324.db2.gz KVWZZONIJLPRHL-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)([NH+]2CCCCC2)CC1 ZINC000466140526 991322891 /nfs/dbraw/zinc/32/28/91/991322891.db2.gz MHHWOLGYQHVMHN-JOCHJYFZSA-N 2 2 413.610 3.659 20 0 HHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000466153814 991339452 /nfs/dbraw/zinc/33/94/52/991339452.db2.gz LTRVZFSGFNSWFY-PMACEKPBSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154307 991340375 /nfs/dbraw/zinc/34/03/75/991340375.db2.gz OVPNXFXHOVTRLM-OAQYLSRUSA-N 2 2 412.622 3.947 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000466159505 991347585 /nfs/dbraw/zinc/34/75/85/991347585.db2.gz UQKZWRKEDZLQCB-HSZRJFAPSA-N 2 2 412.622 3.916 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000466390505 991679845 /nfs/dbraw/zinc/67/98/45/991679845.db2.gz VLUGOXUTUPWTBA-WOJBJXKFSA-N 2 2 424.589 3.722 20 0 HHADLP CCc1c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000466710073 992022134 /nfs/dbraw/zinc/02/21/34/992022134.db2.gz JLFUDPPZIZFCKP-UHFFFAOYSA-N 2 2 424.593 3.507 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466907606 992223858 /nfs/dbraw/zinc/22/38/58/992223858.db2.gz XWONAFILLQDNKU-PKTZIBPZSA-N 2 2 424.593 3.878 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466907606 992223867 /nfs/dbraw/zinc/22/38/67/992223867.db2.gz XWONAFILLQDNKU-PKTZIBPZSA-N 2 2 424.593 3.878 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000467125651 992441589 /nfs/dbraw/zinc/44/15/89/992441589.db2.gz BIBKCEMBNSWVNP-JOCHJYFZSA-N 2 2 406.555 3.825 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856404 993087679 /nfs/dbraw/zinc/08/76/79/993087679.db2.gz YPPQUYKTFDASQC-DJPFJPOOSA-N 2 2 421.632 3.732 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856404 993087686 /nfs/dbraw/zinc/08/76/86/993087686.db2.gz YPPQUYKTFDASQC-DJPFJPOOSA-N 2 2 421.632 3.732 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296065 993310058 /nfs/dbraw/zinc/31/00/58/993310058.db2.gz TYVGRZJLVSWDSL-HUUCEWRRSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296065 993310064 /nfs/dbraw/zinc/31/00/64/993310064.db2.gz TYVGRZJLVSWDSL-HUUCEWRRSA-N 2 2 402.366 3.753 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3F)cc2)CC1 ZINC000480731812 993598315 /nfs/dbraw/zinc/59/83/15/993598315.db2.gz RKTDDHOXJZVAOW-GOSISDBHSA-N 2 2 415.553 3.831 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744842 993611805 /nfs/dbraw/zinc/61/18/05/993611805.db2.gz MCCYJTCUCDAKEQ-APWZRJJASA-N 2 2 407.484 3.798 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744842 993611812 /nfs/dbraw/zinc/61/18/12/993611812.db2.gz MCCYJTCUCDAKEQ-APWZRJJASA-N 2 2 407.484 3.798 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000480823425 993700427 /nfs/dbraw/zinc/70/04/27/993700427.db2.gz SLTBDSCVGSXLCZ-HRAATJIYSA-N 2 2 408.571 3.583 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000480823425 993700438 /nfs/dbraw/zinc/70/04/38/993700438.db2.gz SLTBDSCVGSXLCZ-HRAATJIYSA-N 2 2 408.571 3.583 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886974 993748012 /nfs/dbraw/zinc/74/80/12/993748012.db2.gz ZFRWVKMPBLHFHH-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886974 993748024 /nfs/dbraw/zinc/74/80/24/993748024.db2.gz ZFRWVKMPBLHFHH-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480919376 993773505 /nfs/dbraw/zinc/77/35/05/993773505.db2.gz GAIUHPNZBSOVMW-IBGZPJMESA-N 2 2 411.546 3.597 20 0 HHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000473012523 993936154 /nfs/dbraw/zinc/93/61/54/993936154.db2.gz YRLRFZLHDPHVQE-DENIHFKCSA-N 2 2 416.585 3.869 20 0 HHADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481176323 994006436 /nfs/dbraw/zinc/00/64/36/994006436.db2.gz NTANODXEWDGNJF-UKILVPOCSA-N 2 2 421.585 3.848 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481187339 994019514 /nfs/dbraw/zinc/01/95/14/994019514.db2.gz ZGTLMJJCFFDEFW-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481187339 994019521 /nfs/dbraw/zinc/01/95/21/994019521.db2.gz ZGTLMJJCFFDEFW-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190308 994021982 /nfs/dbraw/zinc/02/19/82/994021982.db2.gz LGOUMMFBBBUPLH-IUUPTRMOSA-N 2 2 409.618 3.960 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190308 994021995 /nfs/dbraw/zinc/02/19/95/994021995.db2.gz LGOUMMFBBBUPLH-IUUPTRMOSA-N 2 2 409.618 3.960 20 0 HHADLP CC(C)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2cccnc21 ZINC000481308931 994126344 /nfs/dbraw/zinc/12/63/44/994126344.db2.gz GWIOGXGYYNPUOJ-JOCHJYFZSA-N 2 2 421.589 3.551 20 0 HHADLP CC(C)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2cccnc21 ZINC000481308931 994126352 /nfs/dbraw/zinc/12/63/52/994126352.db2.gz GWIOGXGYYNPUOJ-JOCHJYFZSA-N 2 2 421.589 3.551 20 0 HHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000481398835 994231542 /nfs/dbraw/zinc/23/15/42/994231542.db2.gz DSHNUUAFFMHRTL-NRFANRHFSA-N 2 2 402.535 3.863 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481560458 994394621 /nfs/dbraw/zinc/39/46/21/994394621.db2.gz WTEXWVMSMDXEBZ-MBSDFSHPSA-N 2 2 404.514 3.632 20 0 HHADLP COc1c(Br)cccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000482001791 994903307 /nfs/dbraw/zinc/90/33/07/994903307.db2.gz XVXAWTYXGMROSO-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP COc1c(Br)cccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000482001791 994903313 /nfs/dbraw/zinc/90/33/13/994903313.db2.gz XVXAWTYXGMROSO-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019871 994931482 /nfs/dbraw/zinc/93/14/82/994931482.db2.gz WXYLDJJXLRCXAW-KBXCAEBGSA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019871 994931489 /nfs/dbraw/zinc/93/14/89/994931489.db2.gz WXYLDJJXLRCXAW-KBXCAEBGSA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019884 994931794 /nfs/dbraw/zinc/93/17/94/994931794.db2.gz WXYLDJJXLRCXAW-KSSFIOAISA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019884 994931813 /nfs/dbraw/zinc/93/18/13/994931813.db2.gz WXYLDJJXLRCXAW-KSSFIOAISA-N 2 2 406.621 3.773 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482020283 994932468 /nfs/dbraw/zinc/93/24/68/994932468.db2.gz PDPBIOHRYCHRPQ-GOTSBHOMSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482020283 994932478 /nfs/dbraw/zinc/93/24/78/994932478.db2.gz PDPBIOHRYCHRPQ-GOTSBHOMSA-N 2 2 402.498 3.589 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034152 994952597 /nfs/dbraw/zinc/95/25/97/994952597.db2.gz VBTFEXRHQIAAKI-HYBUGGRVSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034152 994952617 /nfs/dbraw/zinc/95/26/17/994952617.db2.gz VBTFEXRHQIAAKI-HYBUGGRVSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035956 994954534 /nfs/dbraw/zinc/95/45/34/994954534.db2.gz VDGVJPGVYPHLPB-YJBOKZPZSA-N 2 2 417.541 3.934 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035956 994954548 /nfs/dbraw/zinc/95/45/48/994954548.db2.gz VDGVJPGVYPHLPB-YJBOKZPZSA-N 2 2 417.541 3.934 20 0 HHADLP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050084 994974345 /nfs/dbraw/zinc/97/43/45/994974345.db2.gz QPGCZBQISMWCKS-BJKOFHAPSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050084 994974355 /nfs/dbraw/zinc/97/43/55/994974355.db2.gz QPGCZBQISMWCKS-BJKOFHAPSA-N 2 2 409.574 3.511 20 0 HHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000474052769 995042210 /nfs/dbraw/zinc/04/22/10/995042210.db2.gz CHRAQXQNXZTSFL-DEOSSOPVSA-N 2 2 410.558 3.918 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2ccncc2)c1 ZINC000482120256 995067832 /nfs/dbraw/zinc/06/78/32/995067832.db2.gz NGNGNWNVJXTMCP-FQEVSTJZSA-N 2 2 415.541 3.533 20 0 HHADLP CC(C)(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000474158539 995142089 /nfs/dbraw/zinc/14/20/89/995142089.db2.gz NPETXNZZYVPAOX-UHFFFAOYSA-N 2 2 422.411 3.793 20 0 HHADLP CC(C)(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000474158539 995142095 /nfs/dbraw/zinc/14/20/95/995142095.db2.gz NPETXNZZYVPAOX-UHFFFAOYSA-N 2 2 422.411 3.793 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474254905 995253899 /nfs/dbraw/zinc/25/38/99/995253899.db2.gz WLHZEUQEJLWGLV-UHFFFAOYSA-N 2 2 403.486 3.559 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474254905 995253910 /nfs/dbraw/zinc/25/39/10/995253910.db2.gz WLHZEUQEJLWGLV-UHFFFAOYSA-N 2 2 403.486 3.559 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000474255346 995254157 /nfs/dbraw/zinc/25/41/57/995254157.db2.gz XVNDIJQFVVEGIM-KDURUIRLSA-N 2 2 405.546 3.812 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000474255346 995254165 /nfs/dbraw/zinc/25/41/65/995254165.db2.gz XVNDIJQFVVEGIM-KDURUIRLSA-N 2 2 405.546 3.812 20 0 HHADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000474474581 995434046 /nfs/dbraw/zinc/43/40/46/995434046.db2.gz WXXBIRDKDFXYNP-HNNXBMFYSA-N 2 2 423.342 3.977 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000474508555 995469279 /nfs/dbraw/zinc/46/92/79/995469279.db2.gz IAWIUTDMZNVHCB-IDNQLYMWSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000474508555 995469280 /nfs/dbraw/zinc/46/92/80/995469280.db2.gz IAWIUTDMZNVHCB-IDNQLYMWSA-N 2 2 409.578 3.632 20 0 HHADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474585527 995545183 /nfs/dbraw/zinc/54/51/83/995545183.db2.gz JNQXDSHJBMVECO-OAQYLSRUSA-N 2 2 419.529 3.700 20 0 HHADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474585527 995545193 /nfs/dbraw/zinc/54/51/93/995545193.db2.gz JNQXDSHJBMVECO-OAQYLSRUSA-N 2 2 419.529 3.700 20 0 HHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474613458 995566632 /nfs/dbraw/zinc/56/66/32/995566632.db2.gz SCHAFOLPTUCTFX-MSOLQXFVSA-N 2 2 423.586 3.512 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000482627316 995621970 /nfs/dbraw/zinc/62/19/70/995621970.db2.gz GIMHNBAZPXNDSC-XDBZFTIUSA-N 2 2 420.022 3.940 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704549 /nfs/dbraw/zinc/70/45/49/995704549.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[N@H+]1CC[C@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704560 /nfs/dbraw/zinc/70/45/60/995704560.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@H](NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704569 /nfs/dbraw/zinc/70/45/69/995704569.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@H](NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718474 995704579 /nfs/dbraw/zinc/70/45/79/995704579.db2.gz DEJNONSBDYGESA-VXKWHMMOSA-N 2 2 409.659 3.527 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cn2c1 ZINC000474783506 995708954 /nfs/dbraw/zinc/70/89/54/995708954.db2.gz LTDMROJYDZAZEF-MBSDFSHPSA-N 2 2 410.587 3.992 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860832 995798125 /nfs/dbraw/zinc/79/81/25/995798125.db2.gz BFTFZSTUZGUMMU-CJFMBICVSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860832 995798131 /nfs/dbraw/zinc/79/81/31/995798131.db2.gz BFTFZSTUZGUMMU-CJFMBICVSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000482874346 995808145 /nfs/dbraw/zinc/80/81/45/995808145.db2.gz HWWLESIINCEDAT-ZDUSSCGKSA-N 2 2 403.901 3.535 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000475055244 995893675 /nfs/dbraw/zinc/89/36/75/995893675.db2.gz UEXLMRUYTWPUGK-GOSISDBHSA-N 2 2 407.345 3.787 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000483119894 995987367 /nfs/dbraw/zinc/98/73/67/995987367.db2.gz NJCQXLWJDNPTPT-LJQANCHMSA-N 2 2 424.570 3.898 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000483135760 995996340 /nfs/dbraw/zinc/99/63/40/995996340.db2.gz PUVNXPCJXIGZFS-MSOLQXFVSA-N 2 2 416.587 3.975 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225275 996008215 /nfs/dbraw/zinc/00/82/15/996008215.db2.gz URJLIOZDYXWHQK-CEWLAPEOSA-N 2 2 418.628 3.932 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225275 996008221 /nfs/dbraw/zinc/00/82/21/996008221.db2.gz URJLIOZDYXWHQK-CEWLAPEOSA-N 2 2 418.628 3.932 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)CC2)cc1 ZINC000475319305 996067932 /nfs/dbraw/zinc/06/79/32/996067932.db2.gz LDMRWUHPKTZWMU-HXUWFJFHSA-N 2 2 424.589 3.675 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)CC2)cc1 ZINC000475319305 996067940 /nfs/dbraw/zinc/06/79/40/996067940.db2.gz LDMRWUHPKTZWMU-HXUWFJFHSA-N 2 2 424.589 3.675 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000483362028 996126344 /nfs/dbraw/zinc/12/63/44/996126344.db2.gz WZUKVXNBFDUDBQ-LJQANCHMSA-N 2 2 400.567 3.562 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000475589695 996234833 /nfs/dbraw/zinc/23/48/33/996234833.db2.gz UASWSBLVLOBWMX-KRWDZBQOSA-N 2 2 404.505 3.738 20 0 HHADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475618648 996252667 /nfs/dbraw/zinc/25/26/67/996252667.db2.gz CKOAVVPKCFSFJG-MRXNPFEDSA-N 2 2 409.290 3.965 20 0 HHADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628242 996260883 /nfs/dbraw/zinc/26/08/83/996260883.db2.gz VYKINYQBNFJDFQ-IOASZLSFSA-N 2 2 407.274 3.718 20 0 HHADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628242 996260886 /nfs/dbraw/zinc/26/08/86/996260886.db2.gz VYKINYQBNFJDFQ-IOASZLSFSA-N 2 2 407.274 3.718 20 0 HHADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732416 996332051 /nfs/dbraw/zinc/33/20/51/996332051.db2.gz QOBJBXOXCYXFHU-AREMUKBSSA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732416 996332056 /nfs/dbraw/zinc/33/20/56/996332056.db2.gz QOBJBXOXCYXFHU-AREMUKBSSA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732416 996332062 /nfs/dbraw/zinc/33/20/62/996332062.db2.gz QOBJBXOXCYXFHU-AREMUKBSSA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732416 996332067 /nfs/dbraw/zinc/33/20/67/996332067.db2.gz QOBJBXOXCYXFHU-AREMUKBSSA-N 2 2 403.570 3.559 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739865 996339200 /nfs/dbraw/zinc/33/92/00/996339200.db2.gz XYQJWWSOJSWDKX-AOYPEHQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739865 996339204 /nfs/dbraw/zinc/33/92/04/996339204.db2.gz XYQJWWSOJSWDKX-AOYPEHQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475739865 996339210 /nfs/dbraw/zinc/33/92/10/996339210.db2.gz XYQJWWSOJSWDKX-AOYPEHQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475739865 996339215 /nfs/dbraw/zinc/33/92/15/996339215.db2.gz XYQJWWSOJSWDKX-AOYPEHQESA-N 2 2 422.569 3.617 20 0 HHADLP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483927358 996473100 /nfs/dbraw/zinc/47/31/00/996473100.db2.gz LYIBRJZYNQXWAH-SFHVURJKSA-N 2 2 408.468 3.804 20 0 HHADLP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483927358 996473105 /nfs/dbraw/zinc/47/31/05/996473105.db2.gz LYIBRJZYNQXWAH-SFHVURJKSA-N 2 2 408.468 3.804 20 0 HHADLP COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC000483960646 996492840 /nfs/dbraw/zinc/49/28/40/996492840.db2.gz SWPJKXNGYZEAMV-UHFFFAOYSA-N 2 2 407.514 3.807 20 0 HHADLP COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC000483960646 996492843 /nfs/dbraw/zinc/49/28/43/996492843.db2.gz SWPJKXNGYZEAMV-UHFFFAOYSA-N 2 2 407.514 3.807 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125844 996584268 /nfs/dbraw/zinc/58/42/68/996584268.db2.gz CNGFXYOZUNEOBM-XZOYJPPVSA-N 2 2 422.573 3.504 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125844 996584273 /nfs/dbraw/zinc/58/42/73/996584273.db2.gz CNGFXYOZUNEOBM-XZOYJPPVSA-N 2 2 422.573 3.504 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141201 996594643 /nfs/dbraw/zinc/59/46/43/996594643.db2.gz WIJYRXKOJLBMQD-ZHRRBRCNSA-N 2 2 404.938 3.645 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141201 996594650 /nfs/dbraw/zinc/59/46/50/996594650.db2.gz WIJYRXKOJLBMQD-ZHRRBRCNSA-N 2 2 404.938 3.645 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149107 996600121 /nfs/dbraw/zinc/60/01/21/996600121.db2.gz WFTVSXMRHQDGCA-HMHJJOSWSA-N 2 2 422.548 3.853 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149107 996600122 /nfs/dbraw/zinc/60/01/22/996600122.db2.gz WFTVSXMRHQDGCA-HMHJJOSWSA-N 2 2 422.548 3.853 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489062 996971109 /nfs/dbraw/zinc/97/11/09/996971109.db2.gz KWTBDYOYQCSVGY-PMACEKPBSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489062 996971123 /nfs/dbraw/zinc/97/11/23/996971123.db2.gz KWTBDYOYQCSVGY-PMACEKPBSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489062 996971136 /nfs/dbraw/zinc/97/11/36/996971136.db2.gz KWTBDYOYQCSVGY-PMACEKPBSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489062 996971148 /nfs/dbraw/zinc/97/11/48/996971148.db2.gz KWTBDYOYQCSVGY-PMACEKPBSA-N 2 2 424.589 3.857 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924526 997299628 /nfs/dbraw/zinc/29/96/28/997299628.db2.gz IFFUDXIHLNZNBS-BJKOFHAPSA-N 2 2 407.558 3.785 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924526 997299638 /nfs/dbraw/zinc/29/96/38/997299638.db2.gz IFFUDXIHLNZNBS-BJKOFHAPSA-N 2 2 407.558 3.785 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n(C(C)(C)C)n1 ZINC000476978130 997597351 /nfs/dbraw/zinc/59/73/51/997597351.db2.gz AIZZDFJJKJIZHR-LJQANCHMSA-N 2 2 403.615 3.862 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n(C(C)(C)C)n1 ZINC000476978130 997597364 /nfs/dbraw/zinc/59/73/64/997597364.db2.gz AIZZDFJJKJIZHR-LJQANCHMSA-N 2 2 403.615 3.862 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000485308607 997716371 /nfs/dbraw/zinc/71/63/71/997716371.db2.gz WXHCYESXBFEJRH-GTCWDNOESA-N 2 2 421.589 3.580 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000485308607 997716380 /nfs/dbraw/zinc/71/63/80/997716380.db2.gz WXHCYESXBFEJRH-GTCWDNOESA-N 2 2 421.589 3.580 20 0 HHADLP C[NH+](C)C1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCCC1 ZINC000485375813 997802480 /nfs/dbraw/zinc/80/24/80/997802480.db2.gz OGQUIXPRAZHYRA-UHFFFAOYSA-N 2 2 403.958 3.623 20 0 HHADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000485708016 998173474 /nfs/dbraw/zinc/17/34/74/998173474.db2.gz HBDWNQOOTYRJPB-MRXNPFEDSA-N 2 2 416.572 3.667 20 0 HHADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000485708016 998173486 /nfs/dbraw/zinc/17/34/86/998173486.db2.gz HBDWNQOOTYRJPB-MRXNPFEDSA-N 2 2 416.572 3.667 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000485821272 998287312 /nfs/dbraw/zinc/28/73/12/998287312.db2.gz UZGHZOLYWDZSDZ-REWPJTCUSA-N 2 2 420.561 3.992 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000486008972 998452260 /nfs/dbraw/zinc/45/22/60/998452260.db2.gz RHLCUMFLHLJYKJ-SJBKTWHCSA-N 2 2 423.605 3.541 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255965 998679291 /nfs/dbraw/zinc/67/92/91/998679291.db2.gz WBBGEJDTAOZTJE-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255965 998679296 /nfs/dbraw/zinc/67/92/96/998679296.db2.gz WBBGEJDTAOZTJE-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000486278425 998692559 /nfs/dbraw/zinc/69/25/59/998692559.db2.gz ZCKIOAZOWPYGLR-KRWDZBQOSA-N 2 2 415.607 3.607 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000486549379 998820604 /nfs/dbraw/zinc/82/06/04/998820604.db2.gz NLVHFWNNYQRMIK-UHFFFAOYSA-N 2 2 402.970 3.954 20 0 HHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C/C=C/c3ccncc3)CC2)c1 ZINC000486929875 999010265 /nfs/dbraw/zinc/01/02/65/999010265.db2.gz PYOIRAXWXKKRJF-DUXPYHPUSA-N 2 2 404.480 3.916 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000486964956 999020375 /nfs/dbraw/zinc/02/03/75/999020375.db2.gz LKFAPGXKMLQHJC-UHFFFAOYSA-N 2 2 412.622 3.647 20 0 HHADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000478977564 999231493 /nfs/dbraw/zinc/23/14/93/999231493.db2.gz RTLIAJAKGBWJHA-FQEVSTJZSA-N 2 2 416.363 3.751 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487922814 999316923 /nfs/dbraw/zinc/31/69/23/999316923.db2.gz XIVBVANKXPJTLB-DEOSSOPVSA-N 2 2 407.562 3.536 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487922814 999316929 /nfs/dbraw/zinc/31/69/29/999316929.db2.gz XIVBVANKXPJTLB-DEOSSOPVSA-N 2 2 407.562 3.536 20 0 HHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000488099447 999376113 /nfs/dbraw/zinc/37/61/13/999376113.db2.gz IZHNIVJTQZEYPT-MRXNPFEDSA-N 2 2 416.418 3.511 20 0 HHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000488099447 999376114 /nfs/dbraw/zinc/37/61/14/999376114.db2.gz IZHNIVJTQZEYPT-MRXNPFEDSA-N 2 2 416.418 3.511 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000479346234 999396387 /nfs/dbraw/zinc/39/63/87/999396387.db2.gz NIWJOJXVRRWESL-NRFANRHFSA-N 2 2 423.605 3.816 20 0 HHADLP c1cc(CN2CCC([NH+]3CCCC3)CC2)cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000488585985 999536480 /nfs/dbraw/zinc/53/64/80/999536480.db2.gz JSEDIDCPOLTFHS-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP CN(C(=O)[C@H]1COc2ccc(Cl)cc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488784423 999606800 /nfs/dbraw/zinc/60/68/00/999606800.db2.gz LNPPVCFGWSSROX-PWRODBHTSA-N 2 2 419.997 3.612 20 0 HHADLP CN(C(=O)[C@H]1COc2ccc(Cl)cc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488784423 999606801 /nfs/dbraw/zinc/60/68/01/999606801.db2.gz LNPPVCFGWSSROX-PWRODBHTSA-N 2 2 419.997 3.612 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489058477 999685088 /nfs/dbraw/zinc/68/50/88/999685088.db2.gz DQGHQQQWICGCRC-BWKNWUBXSA-N 2 2 421.589 3.525 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058477 999685093 /nfs/dbraw/zinc/68/50/93/999685093.db2.gz DQGHQQQWICGCRC-BWKNWUBXSA-N 2 2 421.589 3.525 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147395 999711727 /nfs/dbraw/zinc/71/17/27/999711727.db2.gz KNQVBMAMPDYXEP-YADHBBJMSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147395 999711729 /nfs/dbraw/zinc/71/17/29/999711729.db2.gz KNQVBMAMPDYXEP-YADHBBJMSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147388 999711831 /nfs/dbraw/zinc/71/18/31/999711831.db2.gz KNQVBMAMPDYXEP-FCHUYYIVSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147388 999711833 /nfs/dbraw/zinc/71/18/33/999711833.db2.gz KNQVBMAMPDYXEP-FCHUYYIVSA-N 2 2 416.610 3.668 20 0 HHADLP COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480089239 999714216 /nfs/dbraw/zinc/71/42/16/999714216.db2.gz UKMKJFCPPYKOIG-YADARESESA-N 2 2 406.530 3.605 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1NC(C)=O ZINC000480249226 999756290 /nfs/dbraw/zinc/75/62/90/999756290.db2.gz PIMDEZLHWRDNSU-HXUWFJFHSA-N 2 2 424.589 3.825 20 0 HHADLP COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000489390525 999756979 /nfs/dbraw/zinc/75/69/79/999756979.db2.gz MNBFDVCPJHRNDZ-UHFFFAOYSA-N 2 2 413.587 3.623 20 0 HHADLP COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000489390525 999756982 /nfs/dbraw/zinc/75/69/82/999756982.db2.gz MNBFDVCPJHRNDZ-UHFFFAOYSA-N 2 2 413.587 3.623 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410423 999761134 /nfs/dbraw/zinc/76/11/34/999761134.db2.gz YSMKMRAVTORVOJ-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410423 999761136 /nfs/dbraw/zinc/76/11/36/999761136.db2.gz YSMKMRAVTORVOJ-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000489421194 999763867 /nfs/dbraw/zinc/76/38/67/999763867.db2.gz JCJYKYKAFDKOBB-INIZCTEOSA-N 2 2 401.942 3.696 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000489421194 999763869 /nfs/dbraw/zinc/76/38/69/999763869.db2.gz JCJYKYKAFDKOBB-INIZCTEOSA-N 2 2 401.942 3.696 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495068 999778103 /nfs/dbraw/zinc/77/81/03/999778103.db2.gz WBVDHFMPRASUTD-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495068 999778104 /nfs/dbraw/zinc/77/81/04/999778104.db2.gz WBVDHFMPRASUTD-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480610123 999840144 /nfs/dbraw/zinc/84/01/44/999840144.db2.gz LRTPVFLVUFIOFC-OAHLLOKOSA-N 2 2 421.463 3.666 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)(F)F ZINC000480624362 999844018 /nfs/dbraw/zinc/84/40/18/999844018.db2.gz YFFJIJYDVRFOMP-MRXNPFEDSA-N 2 2 421.463 3.824 20 0 HHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480639248 999848341 /nfs/dbraw/zinc/84/83/41/999848341.db2.gz AHCIDSKYIOIDOH-OFVILXPXSA-N 2 2 404.558 3.526 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844817 999848458 /nfs/dbraw/zinc/84/84/58/999848458.db2.gz VOGVCUQSKPACJB-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844817 999848461 /nfs/dbraw/zinc/84/84/61/999848461.db2.gz VOGVCUQSKPACJB-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490166916 999903051 /nfs/dbraw/zinc/90/30/51/999903051.db2.gz CMQGVDYGAANXGM-NRFANRHFSA-N 2 2 412.603 3.527 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056688 1000040249 /nfs/dbraw/zinc/04/02/49/1000040249.db2.gz CGWACDQIRAOHNY-RXVVDRJESA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056688 1000040250 /nfs/dbraw/zinc/04/02/50/1000040250.db2.gz CGWACDQIRAOHNY-RXVVDRJESA-N 2 2 403.929 3.746 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000491074253 1000042587 /nfs/dbraw/zinc/04/25/87/1000042587.db2.gz IBVICXWTXNSJHE-QHCPKHFHSA-N 2 2 406.574 3.811 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000491074253 1000042589 /nfs/dbraw/zinc/04/25/89/1000042589.db2.gz IBVICXWTXNSJHE-QHCPKHFHSA-N 2 2 406.574 3.811 20 0 HHADLP CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)CC1 ZINC000491999947 1000104464 /nfs/dbraw/zinc/10/44/64/1000104464.db2.gz OEBJQMUOXHJFRK-UHFFFAOYSA-N 2 2 410.566 3.691 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000492144325 1000111404 /nfs/dbraw/zinc/11/14/04/1000111404.db2.gz OOPICNXZNSTVBK-CTNGQTDRSA-N 2 2 418.545 3.749 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@H+]1Cc1ccccc1 ZINC000492144325 1000111406 /nfs/dbraw/zinc/11/14/06/1000111406.db2.gz OOPICNXZNSTVBK-CTNGQTDRSA-N 2 2 418.545 3.749 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(Cc4cccc(F)c4)CCCCC3)CC2)CC1 ZINC000493343707 1000169718 /nfs/dbraw/zinc/16/97/18/1000169718.db2.gz HYZSUNZKTXTZNO-UHFFFAOYSA-N 2 2 415.597 3.994 20 0 HHADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145871 1000576707 /nfs/dbraw/zinc/57/67/07/1000576707.db2.gz OTDPIQCCICYTPC-SFTDATJTSA-N 2 2 424.564 3.977 20 0 HHADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145871 1000576710 /nfs/dbraw/zinc/57/67/10/1000576710.db2.gz OTDPIQCCICYTPC-SFTDATJTSA-N 2 2 424.564 3.977 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505222012 1000627540 /nfs/dbraw/zinc/62/75/40/1000627540.db2.gz DKAKXHRFZTWYNL-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505222012 1000627544 /nfs/dbraw/zinc/62/75/44/1000627544.db2.gz DKAKXHRFZTWYNL-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000505296892 1000680483 /nfs/dbraw/zinc/68/04/83/1000680483.db2.gz BWMGFIRIUCFPTM-FQEVSTJZSA-N 2 2 422.411 3.824 20 0 HHADLP Cn1cc([C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2cccc(F)c2)cn1 ZINC000495026688 1000787263 /nfs/dbraw/zinc/78/72/63/1000787263.db2.gz KUTORXRNFKZEAP-QHCPKHFHSA-N 2 2 408.525 3.686 20 0 HHADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000505578294 1000917383 /nfs/dbraw/zinc/91/73/83/1000917383.db2.gz GDJUMYKUWOZYOF-PXNSSMCTSA-N 2 2 420.395 3.530 20 0 HHADLP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505751552 1001006383 /nfs/dbraw/zinc/00/63/83/1001006383.db2.gz UBHFNUALIKHTKK-UHFFFAOYSA-N 2 2 419.573 3.888 20 0 HHADLP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000505751552 1001006392 /nfs/dbraw/zinc/00/63/92/1001006392.db2.gz UBHFNUALIKHTKK-UHFFFAOYSA-N 2 2 419.573 3.888 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000505899573 1001088214 /nfs/dbraw/zinc/08/82/14/1001088214.db2.gz RZXCSABBOUQGEO-UHFFFAOYSA-N 2 2 424.589 3.798 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000505899573 1001088221 /nfs/dbraw/zinc/08/82/21/1001088221.db2.gz RZXCSABBOUQGEO-UHFFFAOYSA-N 2 2 424.589 3.798 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505961791 1001130207 /nfs/dbraw/zinc/13/02/07/1001130207.db2.gz DDCGWKPPBNFANE-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506018331 1001165955 /nfs/dbraw/zinc/16/59/55/1001165955.db2.gz SVDUIGXVKPRUBE-GOSISDBHSA-N 2 2 416.541 3.685 20 0 HHADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1cccc(Cl)c1Cl ZINC000506021187 1001168508 /nfs/dbraw/zinc/16/85/08/1001168508.db2.gz BRQXZMOJZSERFT-UHFFFAOYSA-N 2 2 414.377 3.756 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)CC1 ZINC000497442895 1001367882 /nfs/dbraw/zinc/36/78/82/1001367882.db2.gz RBGLFLVGJVDPFQ-UHFFFAOYSA-N 2 2 424.570 3.845 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000506464915 1001425055 /nfs/dbraw/zinc/42/50/55/1001425055.db2.gz FKNKYIVQIXJLDS-ZRCGQRJVSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000506464915 1001425057 /nfs/dbraw/zinc/42/50/57/1001425057.db2.gz FKNKYIVQIXJLDS-ZRCGQRJVSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000506566833 1001460824 /nfs/dbraw/zinc/46/08/24/1001460824.db2.gz AXONPGYBAMYSDJ-INIZCTEOSA-N 2 2 419.495 3.973 20 0 HHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000506566833 1001460825 /nfs/dbraw/zinc/46/08/25/1001460825.db2.gz AXONPGYBAMYSDJ-INIZCTEOSA-N 2 2 419.495 3.973 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507056860 1001785386 /nfs/dbraw/zinc/78/53/86/1001785386.db2.gz JGZSWIKZAYMZOB-FYYLOGMGSA-N 2 2 421.589 3.946 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507196816 1001883914 /nfs/dbraw/zinc/88/39/14/1001883914.db2.gz NZHZMRHSZWDVDV-PZJWPPBQSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507196816 1001883929 /nfs/dbraw/zinc/88/39/29/1001883929.db2.gz NZHZMRHSZWDVDV-PZJWPPBQSA-N 2 2 409.578 3.629 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203443 1001892141 /nfs/dbraw/zinc/89/21/41/1001892141.db2.gz JDKPKDRMFKEZFD-FGZHOGPDSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203443 1001892125 /nfs/dbraw/zinc/89/21/25/1001892125.db2.gz JDKPKDRMFKEZFD-FGZHOGPDSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507206528 1001894332 /nfs/dbraw/zinc/89/43/32/1001894332.db2.gz OSUHVKPUIWQBTL-FQEVSTJZSA-N 2 2 401.599 3.765 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000498555970 1001970701 /nfs/dbraw/zinc/97/07/01/1001970701.db2.gz CTIIBGXUKLGRMY-UHFFFAOYSA-N 2 2 401.551 3.540 20 0 HHADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577884 1001991396 /nfs/dbraw/zinc/99/13/96/1001991396.db2.gz AIWUCJPHMNJXBK-XPWALMASSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577884 1001991408 /nfs/dbraw/zinc/99/14/08/1001991408.db2.gz AIWUCJPHMNJXBK-XPWALMASSA-N 2 2 400.611 3.511 20 0 HHADLP O=C(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Nc1ccc(Br)cc1 ZINC000507468402 1002088989 /nfs/dbraw/zinc/08/89/89/1002088989.db2.gz HBVGWUOXOJIUSY-UHFFFAOYSA-N 2 2 422.289 3.784 20 0 HHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000507521687 1002130762 /nfs/dbraw/zinc/13/07/62/1002130762.db2.gz ZWSRUAVKCQUJLB-LJQANCHMSA-N 2 2 419.919 3.720 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000499315630 1002722306 /nfs/dbraw/zinc/72/23/06/1002722306.db2.gz YHONBVGIPBSLCK-NTKDMRAZSA-N 2 2 417.557 3.810 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000499315630 1002722311 /nfs/dbraw/zinc/72/23/11/1002722311.db2.gz YHONBVGIPBSLCK-NTKDMRAZSA-N 2 2 417.557 3.810 20 0 HHADLP C[N@H+](CCN1CC[NH+](Cc2conc2Cc2ccccc2)CC1)Cc1ccccc1 ZINC000508239916 1002765135 /nfs/dbraw/zinc/76/51/35/1002765135.db2.gz LBTXNEMLBQCIBB-UHFFFAOYSA-N 2 2 404.558 3.515 20 0 HHADLP C[N@@H+](CCN1CC[NH+](Cc2conc2Cc2ccccc2)CC1)Cc1ccccc1 ZINC000508239916 1002765146 /nfs/dbraw/zinc/76/51/46/1002765146.db2.gz LBTXNEMLBQCIBB-UHFFFAOYSA-N 2 2 404.558 3.515 20 0 HHADLP CC(C)CN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508562311 1003031259 /nfs/dbraw/zinc/03/12/59/1003031259.db2.gz VJAGPUUHFLMARA-UHFFFAOYSA-N 2 2 404.574 3.552 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772893 1003110710 /nfs/dbraw/zinc/11/07/10/1003110710.db2.gz RGPAPSGUXVYNSX-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772893 1003110714 /nfs/dbraw/zinc/11/07/14/1003110714.db2.gz RGPAPSGUXVYNSX-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801483 1003136875 /nfs/dbraw/zinc/13/68/75/1003136875.db2.gz UJRGKCMOEDLGRK-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801483 1003136877 /nfs/dbraw/zinc/13/68/77/1003136877.db2.gz UJRGKCMOEDLGRK-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)c(C)c3)CC2)CC1 ZINC000500093824 1003454321 /nfs/dbraw/zinc/45/43/21/1003454321.db2.gz BCWCZGWEVQUSFB-UHFFFAOYSA-N 2 2 422.411 3.524 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)CC1 ZINC000508993684 1003464764 /nfs/dbraw/zinc/46/47/64/1003464764.db2.gz YDYBAJUZFQFPMA-UHFFFAOYSA-N 2 2 421.383 3.581 20 0 HHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000500439951 1003719052 /nfs/dbraw/zinc/71/90/52/1003719052.db2.gz LBNAQRZEGZZMKW-HNNXBMFYSA-N 2 2 411.290 3.584 20 0 HHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000500439951 1003719060 /nfs/dbraw/zinc/71/90/60/1003719060.db2.gz LBNAQRZEGZZMKW-HNNXBMFYSA-N 2 2 411.290 3.584 20 0 HHADLP O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839175 1003816033 /nfs/dbraw/zinc/81/60/33/1003816033.db2.gz UFLSXHAAXPRWTF-GVAUOCQISA-N 2 2 419.569 3.725 20 0 HHADLP O=C(C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839175 1003816048 /nfs/dbraw/zinc/81/60/48/1003816048.db2.gz UFLSXHAAXPRWTF-GVAUOCQISA-N 2 2 419.569 3.725 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000512101992 1004024220 /nfs/dbraw/zinc/02/42/20/1004024220.db2.gz XEABFEBQFRRQGX-UHFFFAOYSA-N 2 2 412.525 3.978 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509716068 1004048140 /nfs/dbraw/zinc/04/81/40/1004048140.db2.gz XFZKGMLSEGEUMU-JOCHJYFZSA-N 2 2 407.562 3.536 20 0 HHADLP CC(C)C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000509829461 1004129350 /nfs/dbraw/zinc/12/93/50/1004129350.db2.gz WGBRNYFMOHOYAL-MHJFOBGBSA-N 2 2 410.002 3.712 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237730 1004138930 /nfs/dbraw/zinc/13/89/30/1004138930.db2.gz VKEPEGMKILOGMH-LVXARBLLSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237730 1004138938 /nfs/dbraw/zinc/13/89/38/1004138938.db2.gz VKEPEGMKILOGMH-LVXARBLLSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237730 1004138945 /nfs/dbraw/zinc/13/89/45/1004138945.db2.gz VKEPEGMKILOGMH-LVXARBLLSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237730 1004138954 /nfs/dbraw/zinc/13/89/54/1004138954.db2.gz VKEPEGMKILOGMH-LVXARBLLSA-N 2 2 403.570 3.558 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000512302992 1004204032 /nfs/dbraw/zinc/20/40/32/1004204032.db2.gz PLXGJQLIFVAION-GOSISDBHSA-N 2 2 421.520 3.644 20 0 HHADLP CCOc1c(OC)cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000512354590 1004241370 /nfs/dbraw/zinc/24/13/70/1004241370.db2.gz GQQKAFPFEQFVJT-UHFFFAOYSA-N 2 2 413.562 3.636 20 0 HHADLP CCOc1c(OC)cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000512354590 1004241374 /nfs/dbraw/zinc/24/13/74/1004241374.db2.gz GQQKAFPFEQFVJT-UHFFFAOYSA-N 2 2 413.562 3.636 20 0 HHADLP CCCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512413556 1004280456 /nfs/dbraw/zinc/28/04/56/1004280456.db2.gz XPBDXUVAORDVRI-GOTSBHOMSA-N 2 2 421.589 3.747 20 0 HHADLP CCCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512413556 1004280467 /nfs/dbraw/zinc/28/04/67/1004280467.db2.gz XPBDXUVAORDVRI-GOTSBHOMSA-N 2 2 421.589 3.747 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000512424994 1004290972 /nfs/dbraw/zinc/29/09/72/1004290972.db2.gz WDBLOMWAYAKSTN-NNWRFLSQSA-N 2 2 407.562 3.527 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000512424994 1004290981 /nfs/dbraw/zinc/29/09/81/1004290981.db2.gz WDBLOMWAYAKSTN-NNWRFLSQSA-N 2 2 407.562 3.527 20 0 HHADLP COc1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1SC ZINC000512426840 1004293205 /nfs/dbraw/zinc/29/32/05/1004293205.db2.gz JBKGPBBRMUQWIR-QFIPXVFZSA-N 2 2 411.615 3.809 20 0 HHADLP COc1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1SC ZINC000512426840 1004293222 /nfs/dbraw/zinc/29/32/22/1004293222.db2.gz JBKGPBBRMUQWIR-QFIPXVFZSA-N 2 2 411.615 3.809 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCOc3ccccc3-c3ccccc3)CC2)CC1 ZINC000501256004 1004318018 /nfs/dbraw/zinc/31/80/18/1004318018.db2.gz GDZIPIPLDVCZJK-UHFFFAOYSA-N 2 2 421.585 3.797 20 0 HHADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000510224165 1004407203 /nfs/dbraw/zinc/40/72/03/1004407203.db2.gz SNYFLSBTLGIRAR-UHFFFAOYSA-N 2 2 414.363 3.971 20 0 HHADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000510224165 1004407205 /nfs/dbraw/zinc/40/72/05/1004407205.db2.gz SNYFLSBTLGIRAR-UHFFFAOYSA-N 2 2 414.363 3.971 20 0 HHADLP Fc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ncccc12 ZINC000512678375 1004487068 /nfs/dbraw/zinc/48/70/68/1004487068.db2.gz PMNFYKCRNRYHFP-FQEVSTJZSA-N 2 2 419.548 3.803 20 0 HHADLP Fc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ncccc12 ZINC000512678375 1004487074 /nfs/dbraw/zinc/48/70/74/1004487074.db2.gz PMNFYKCRNRYHFP-FQEVSTJZSA-N 2 2 419.548 3.803 20 0 HHADLP Cc1ccc(C(C)C)c(OCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000501660847 1004581075 /nfs/dbraw/zinc/58/10/75/1004581075.db2.gz XGQUAYLKSDOEKT-UHFFFAOYSA-N 2 2 401.595 3.562 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510547068 1004681228 /nfs/dbraw/zinc/68/12/28/1004681228.db2.gz JZOQJXXLMZLCCZ-FPTDNZKUSA-N 2 2 400.473 3.739 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000510593501 1004739771 /nfs/dbraw/zinc/73/97/71/1004739771.db2.gz UZOSFIGOJIHUMF-HNNXBMFYSA-N 2 2 411.493 3.762 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513064701 1004787621 /nfs/dbraw/zinc/78/76/21/1004787621.db2.gz NYPLXVFERKNRQX-ZODMCCGTSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513064701 1004787623 /nfs/dbraw/zinc/78/76/23/1004787623.db2.gz NYPLXVFERKNRQX-ZODMCCGTSA-N 2 2 405.586 3.863 20 0 HHADLP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000510790965 1004854225 /nfs/dbraw/zinc/85/42/25/1004854225.db2.gz JUGHWRXQSATMJO-PKTZIBPZSA-N 2 2 401.501 3.597 20 0 HHADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000513273742 1004889940 /nfs/dbraw/zinc/88/99/40/1004889940.db2.gz ZJCQSZWJWJGWKN-UHFFFAOYSA-N 2 2 422.013 3.858 20 0 HHADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000513273742 1004889944 /nfs/dbraw/zinc/88/99/44/1004889944.db2.gz ZJCQSZWJWJGWKN-UHFFFAOYSA-N 2 2 422.013 3.858 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000510880815 1004907738 /nfs/dbraw/zinc/90/77/38/1004907738.db2.gz LJALWYTYTUXSHM-MSOLQXFVSA-N 2 2 418.548 3.698 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000510880815 1004907741 /nfs/dbraw/zinc/90/77/41/1004907741.db2.gz LJALWYTYTUXSHM-MSOLQXFVSA-N 2 2 418.548 3.698 20 0 HHADLP COc1ccccc1OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510888972 1004912980 /nfs/dbraw/zinc/91/29/80/1004912980.db2.gz FJXOKNFBHCYYQV-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP COc1ccccc1OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510888972 1004912984 /nfs/dbraw/zinc/91/29/84/1004912984.db2.gz FJXOKNFBHCYYQV-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP O[C@H](CCc1ccccc1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922872 1004935108 /nfs/dbraw/zinc/93/51/08/1004935108.db2.gz UYADJDAELSYDEK-GOSISDBHSA-N 2 2 418.335 3.735 20 0 HHADLP O[C@H](CCc1ccccc1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922872 1004935114 /nfs/dbraw/zinc/93/51/14/1004935114.db2.gz UYADJDAELSYDEK-GOSISDBHSA-N 2 2 418.335 3.735 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)c1 ZINC000513490566 1004988400 /nfs/dbraw/zinc/98/84/00/1004988400.db2.gz FQYXIKXBEAAEQI-XMMPIXPASA-N 2 2 421.566 3.833 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccncc3)cc2)CC1 ZINC000513632152 1005057799 /nfs/dbraw/zinc/05/77/99/1005057799.db2.gz NWENWKOZDHGUTE-UHFFFAOYSA-N 2 2 416.569 3.698 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000511192399 1005068023 /nfs/dbraw/zinc/06/80/23/1005068023.db2.gz URCFIQRAQDYSDB-ICSRJNTNSA-N 2 2 420.479 3.878 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OCc1ccccc1 ZINC000513662750 1005071938 /nfs/dbraw/zinc/07/19/38/1005071938.db2.gz ZLAYTRSOJPBSRJ-XMMPIXPASA-N 2 2 423.601 3.876 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OCc1ccccc1 ZINC000513662750 1005071945 /nfs/dbraw/zinc/07/19/45/1005071945.db2.gz ZLAYTRSOJPBSRJ-XMMPIXPASA-N 2 2 423.601 3.876 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000513683382 1005080760 /nfs/dbraw/zinc/08/07/60/1005080760.db2.gz JVBCIQHLNFFLRR-QPTUXGOLSA-N 2 2 412.599 3.741 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000513683382 1005080764 /nfs/dbraw/zinc/08/07/64/1005080764.db2.gz JVBCIQHLNFFLRR-QPTUXGOLSA-N 2 2 412.599 3.741 20 0 HHADLP CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccc(Cl)cc2)C1 ZINC000511399780 1005158143 /nfs/dbraw/zinc/15/81/43/1005158143.db2.gz PNAFQQZJLLDBSM-GOTSBHOMSA-N 2 2 410.949 3.746 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000502710246 1005187274 /nfs/dbraw/zinc/18/72/74/1005187274.db2.gz DRUOJRHZOFYLNN-FQEVSTJZSA-N 2 2 407.558 3.510 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000502710246 1005187277 /nfs/dbraw/zinc/18/72/77/1005187277.db2.gz DRUOJRHZOFYLNN-FQEVSTJZSA-N 2 2 407.558 3.510 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)CC2)CC1 ZINC000511478462 1005193647 /nfs/dbraw/zinc/19/36/47/1005193647.db2.gz XGAQJIPPJIPUFD-LQLSTCSOSA-N 2 2 410.606 3.665 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511646505 1005259701 /nfs/dbraw/zinc/25/97/01/1005259701.db2.gz ICBZJBAKUYUZNT-VXKWHMMOSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511646505 1005259703 /nfs/dbraw/zinc/25/97/03/1005259703.db2.gz ICBZJBAKUYUZNT-VXKWHMMOSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511646503 1005259825 /nfs/dbraw/zinc/25/98/25/1005259825.db2.gz ICBZJBAKUYUZNT-FGZHOGPDSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511646503 1005259828 /nfs/dbraw/zinc/25/98/28/1005259828.db2.gz ICBZJBAKUYUZNT-FGZHOGPDSA-N 2 2 404.643 3.934 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+](C)C)cc1 ZINC000514168392 1005296782 /nfs/dbraw/zinc/29/67/82/1005296782.db2.gz XSTIOEWRTADUSN-QFIPXVFZSA-N 2 2 409.509 3.676 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000514214398 1005316582 /nfs/dbraw/zinc/31/65/82/1005316582.db2.gz MYLLSPSNRYUEAA-KXBFYZLASA-N 2 2 421.948 3.756 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)C2)cc1 ZINC000511789585 1005329187 /nfs/dbraw/zinc/32/91/87/1005329187.db2.gz XEOIGUKAMVTSFW-QYOOZWMWSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)C2)cc1 ZINC000511789585 1005329190 /nfs/dbraw/zinc/32/91/90/1005329190.db2.gz XEOIGUKAMVTSFW-QYOOZWMWSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)C2)cc1 ZINC000511789585 1005329194 /nfs/dbraw/zinc/32/91/94/1005329194.db2.gz XEOIGUKAMVTSFW-QYOOZWMWSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)C2)cc1 ZINC000511789585 1005329198 /nfs/dbraw/zinc/32/91/98/1005329198.db2.gz XEOIGUKAMVTSFW-QYOOZWMWSA-N 2 2 406.570 3.782 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503054788 1005329821 /nfs/dbraw/zinc/32/98/21/1005329821.db2.gz UMUKHPYFBRWJCE-CVDCTZTESA-N 2 2 404.514 3.984 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503054788 1005329827 /nfs/dbraw/zinc/32/98/27/1005329827.db2.gz UMUKHPYFBRWJCE-CVDCTZTESA-N 2 2 404.514 3.984 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000503062587 1005333303 /nfs/dbraw/zinc/33/33/03/1005333303.db2.gz KAEMJHCYYIZFQS-JOCHJYFZSA-N 2 2 419.529 3.793 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000503062587 1005333311 /nfs/dbraw/zinc/33/33/11/1005333311.db2.gz KAEMJHCYYIZFQS-JOCHJYFZSA-N 2 2 419.529 3.793 20 0 HHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073517 1005337976 /nfs/dbraw/zinc/33/79/76/1005337976.db2.gz HQISGEGVCRHZSJ-AOIWGVFYSA-N 2 2 401.580 3.977 20 0 HHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073517 1005337982 /nfs/dbraw/zinc/33/79/82/1005337982.db2.gz HQISGEGVCRHZSJ-AOIWGVFYSA-N 2 2 401.580 3.977 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000503257478 1005378506 /nfs/dbraw/zinc/37/85/06/1005378506.db2.gz NRXJUQBCRJNHJR-RUZDIDTESA-N 2 2 423.601 3.854 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000503257478 1005378509 /nfs/dbraw/zinc/37/85/09/1005378509.db2.gz NRXJUQBCRJNHJR-RUZDIDTESA-N 2 2 423.601 3.854 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCCc2ccccc21 ZINC000503367140 1005399444 /nfs/dbraw/zinc/39/94/44/1005399444.db2.gz AANHZFSLMNXGNW-OFNKIYASSA-N 2 2 406.574 3.935 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCCc2ccccc21 ZINC000503367140 1005399445 /nfs/dbraw/zinc/39/94/45/1005399445.db2.gz AANHZFSLMNXGNW-OFNKIYASSA-N 2 2 406.574 3.935 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381188 1005403479 /nfs/dbraw/zinc/40/34/79/1005403479.db2.gz BYUXVMAMXRBKPG-XLIONFOSSA-N 2 2 412.603 3.996 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381188 1005403482 /nfs/dbraw/zinc/40/34/82/1005403482.db2.gz BYUXVMAMXRBKPG-XLIONFOSSA-N 2 2 412.603 3.996 20 0 HHADLP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405976 1005410277 /nfs/dbraw/zinc/41/02/77/1005410277.db2.gz ACIKGJVJONHSDJ-WMZOPIPTSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405976 1005410279 /nfs/dbraw/zinc/41/02/79/1005410279.db2.gz ACIKGJVJONHSDJ-WMZOPIPTSA-N 2 2 423.479 3.858 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418396 1005414687 /nfs/dbraw/zinc/41/46/87/1005414687.db2.gz ZVHZBQVRSMGQGH-GOSISDBHSA-N 2 2 400.954 3.759 20 0 HHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418396 1005414689 /nfs/dbraw/zinc/41/46/89/1005414689.db2.gz ZVHZBQVRSMGQGH-GOSISDBHSA-N 2 2 400.954 3.759 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503441595 1005421706 /nfs/dbraw/zinc/42/17/06/1005421706.db2.gz HETXGQSFCRMATC-JOCHJYFZSA-N 2 2 413.610 3.870 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2cccs2)CC1 ZINC000503494969 1005436738 /nfs/dbraw/zinc/43/67/38/1005436738.db2.gz OJEGOAKIAVQKPD-IBGZPJMESA-N 2 2 401.580 3.764 20 0 HHADLP CCC(CC)(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503740882 1005488268 /nfs/dbraw/zinc/48/82/68/1005488268.db2.gz QVVDVTHMPSSZEP-FQEVSTJZSA-N 2 2 409.578 3.823 20 0 HHADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)c2C1 ZINC000531123435 1006005636 /nfs/dbraw/zinc/00/56/36/1006005636.db2.gz BRXUQPJQBXMOIY-UHFFFAOYSA-N 2 2 409.578 3.633 20 0 HHADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)c2C1 ZINC000531123435 1006005645 /nfs/dbraw/zinc/00/56/45/1006005645.db2.gz BRXUQPJQBXMOIY-UHFFFAOYSA-N 2 2 409.578 3.633 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531207655 1006047104 /nfs/dbraw/zinc/04/71/04/1006047104.db2.gz MQHSPVYDVCJHIQ-UHFFFAOYSA-N 2 2 421.589 3.767 20 0 HHADLP COC1CC[NH+](C(C)(C)CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000531293016 1006099168 /nfs/dbraw/zinc/09/91/68/1006099168.db2.gz ZJMWBMLJIUSQMH-UHFFFAOYSA-N 2 2 423.601 3.694 20 0 HHADLP CC(C)c1nc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000531405728 1006177098 /nfs/dbraw/zinc/17/70/98/1006177098.db2.gz ZVWILADSAFITHV-UHFFFAOYSA-N 2 2 414.619 3.727 20 0 HHADLP CC(C)c1nc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000531405728 1006177104 /nfs/dbraw/zinc/17/71/04/1006177104.db2.gz ZVWILADSAFITHV-UHFFFAOYSA-N 2 2 414.619 3.727 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000534207078 1006201098 /nfs/dbraw/zinc/20/10/98/1006201098.db2.gz LOJZYFKBEKSQMY-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000534207078 1006201109 /nfs/dbraw/zinc/20/11/09/1006201109.db2.gz LOJZYFKBEKSQMY-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361608 1006326793 /nfs/dbraw/zinc/32/67/93/1006326793.db2.gz NAEHOQUNLXMEOT-RTBURBONSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361608 1006326806 /nfs/dbraw/zinc/32/68/06/1006326806.db2.gz NAEHOQUNLXMEOT-RTBURBONSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375536 1006343156 /nfs/dbraw/zinc/34/31/56/1006343156.db2.gz IUTCKHLWSGROSC-ROUUACIJSA-N 2 2 413.031 3.880 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375536 1006343170 /nfs/dbraw/zinc/34/31/70/1006343170.db2.gz IUTCKHLWSGROSC-ROUUACIJSA-N 2 2 413.031 3.880 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382090 1006352868 /nfs/dbraw/zinc/35/28/68/1006352868.db2.gz MPFFPMUCQJITDC-RBUKOAKNSA-N 2 2 410.965 3.740 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382090 1006352880 /nfs/dbraw/zinc/35/28/80/1006352880.db2.gz MPFFPMUCQJITDC-RBUKOAKNSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382090 1006352888 /nfs/dbraw/zinc/35/28/88/1006352888.db2.gz MPFFPMUCQJITDC-RBUKOAKNSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382090 1006352895 /nfs/dbraw/zinc/35/28/95/1006352895.db2.gz MPFFPMUCQJITDC-RBUKOAKNSA-N 2 2 410.965 3.740 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383879 1006356654 /nfs/dbraw/zinc/35/66/54/1006356654.db2.gz GZSRZANIKVFHHQ-VXNXHJTFSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383879 1006356667 /nfs/dbraw/zinc/35/66/67/1006356667.db2.gz GZSRZANIKVFHHQ-VXNXHJTFSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383874 1006356706 /nfs/dbraw/zinc/35/67/06/1006356706.db2.gz GZSRZANIKVFHHQ-RBZQAINGSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383874 1006356718 /nfs/dbraw/zinc/35/67/18/1006356718.db2.gz GZSRZANIKVFHHQ-RBZQAINGSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384904 1006357303 /nfs/dbraw/zinc/35/73/03/1006357303.db2.gz RUKINWWAUZRUIP-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384904 1006357315 /nfs/dbraw/zinc/35/73/15/1006357315.db2.gz RUKINWWAUZRUIP-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710483 1006370655 /nfs/dbraw/zinc/37/06/55/1006370655.db2.gz REQFMZRKYLNEIR-DZGCQCFKSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710483 1006370660 /nfs/dbraw/zinc/37/06/60/1006370660.db2.gz REQFMZRKYLNEIR-DZGCQCFKSA-N 2 2 421.891 3.776 20 0 HHADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)s2)cc1 ZINC000531715125 1006374041 /nfs/dbraw/zinc/37/40/41/1006374041.db2.gz MXHNCDQYRHCPIN-APWZRJJASA-N 2 2 403.592 3.871 20 0 HHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000531759588 1006403611 /nfs/dbraw/zinc/40/36/11/1006403611.db2.gz KDTSPDVAORPQNQ-BHIFYINESA-N 2 2 422.997 3.755 20 0 HHADLP COc1ccc([C@@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000531777445 1006418050 /nfs/dbraw/zinc/41/80/50/1006418050.db2.gz YBWLXRYGYICVDQ-HXUWFJFHSA-N 2 2 401.576 3.775 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000534472874 1006458818 /nfs/dbraw/zinc/45/88/18/1006458818.db2.gz RFLJIACKGGURNP-HXUWFJFHSA-N 2 2 422.495 3.961 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000534472874 1006458825 /nfs/dbraw/zinc/45/88/25/1006458825.db2.gz RFLJIACKGGURNP-HXUWFJFHSA-N 2 2 422.495 3.961 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939400 1006532333 /nfs/dbraw/zinc/53/23/33/1006532333.db2.gz NIFADJIDWLGACZ-AWEZNQCLSA-N 2 2 405.340 3.531 20 0 HHADLP O=C1CCCN1C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000532192269 1006710317 /nfs/dbraw/zinc/71/03/17/1006710317.db2.gz DSVNDZWWJSBOMU-HXUWFJFHSA-N 2 2 409.496 3.833 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534792340 1006795418 /nfs/dbraw/zinc/79/54/18/1006795418.db2.gz QTUXXENCZFOICW-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534792340 1006795434 /nfs/dbraw/zinc/79/54/34/1006795434.db2.gz QTUXXENCZFOICW-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590677 1006857549 /nfs/dbraw/zinc/85/75/49/1006857549.db2.gz RVYHPXMLOFMHDP-GBXCKJPGSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590677 1006857563 /nfs/dbraw/zinc/85/75/63/1006857563.db2.gz RVYHPXMLOFMHDP-GBXCKJPGSA-N 3 2 407.606 3.935 20 0 HHADLP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc(Cl)c1O ZINC000516111593 1006889650 /nfs/dbraw/zinc/88/96/50/1006889650.db2.gz XKRNXJDUABDBBU-UHFFFAOYSA-N 2 2 417.981 3.872 20 0 HHADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000532447809 1006889976 /nfs/dbraw/zinc/88/99/76/1006889976.db2.gz RCSTWTNWUXHUKN-AWEZNQCLSA-N 2 2 403.328 3.666 20 0 HHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000532449394 1006892213 /nfs/dbraw/zinc/89/22/13/1006892213.db2.gz GRWJDWCXSZBUPC-UHFFFAOYSA-N 2 2 408.933 3.979 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942608 1006983259 /nfs/dbraw/zinc/98/32/59/1006983259.db2.gz RXDOCOXJLSZJSY-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942608 1006983272 /nfs/dbraw/zinc/98/32/72/1006983272.db2.gz RXDOCOXJLSZJSY-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947996 1006989604 /nfs/dbraw/zinc/98/96/04/1006989604.db2.gz JSABDAUULBZTOU-VXKWHMMOSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947996 1006989609 /nfs/dbraw/zinc/98/96/09/1006989609.db2.gz JSABDAUULBZTOU-VXKWHMMOSA-N 2 2 402.583 3.886 20 0 HHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720251 1006994478 /nfs/dbraw/zinc/99/44/78/1006994478.db2.gz PHQDLFPAQQXDES-WCQYABFASA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720251 1006994485 /nfs/dbraw/zinc/99/44/85/1006994485.db2.gz PHQDLFPAQQXDES-WCQYABFASA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720251 1006994492 /nfs/dbraw/zinc/99/44/92/1006994492.db2.gz PHQDLFPAQQXDES-WCQYABFASA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720251 1006994497 /nfs/dbraw/zinc/99/44/97/1006994497.db2.gz PHQDLFPAQQXDES-WCQYABFASA-N 2 2 407.299 3.974 20 0 HHADLP CN(Cc1ccc(Cl)c(F)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000534959465 1007005766 /nfs/dbraw/zinc/00/57/66/1007005766.db2.gz IOKGUHRBVIUQMK-UHFFFAOYSA-N 2 2 410.965 3.571 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532591744 1007028038 /nfs/dbraw/zinc/02/80/38/1007028038.db2.gz AIACBIXMSURLKA-GHXNOFRVSA-N 2 2 418.585 3.692 20 0 HHADLP COc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1OC(F)F ZINC000532675776 1007088806 /nfs/dbraw/zinc/08/88/06/1007088806.db2.gz GKLFXSBBLPDQNX-UHFFFAOYSA-N 2 2 406.477 3.834 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535091329 1007105408 /nfs/dbraw/zinc/10/54/08/1007105408.db2.gz YPBZODPRBJJYGO-OALUTQOASA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535091329 1007105410 /nfs/dbraw/zinc/10/54/10/1007105410.db2.gz YPBZODPRBJJYGO-OALUTQOASA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095669 1007111545 /nfs/dbraw/zinc/11/15/45/1007111545.db2.gz LYMDCRMWQBVQKW-GOTSBHOMSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095669 1007111572 /nfs/dbraw/zinc/11/15/72/1007111572.db2.gz LYMDCRMWQBVQKW-GOTSBHOMSA-N 2 2 419.585 3.780 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095622 1007111693 /nfs/dbraw/zinc/11/16/93/1007111693.db2.gz LTJQOIJDHVQUTO-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095622 1007111697 /nfs/dbraw/zinc/11/16/97/1007111697.db2.gz LTJQOIJDHVQUTO-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097774 1007116792 /nfs/dbraw/zinc/11/67/92/1007116792.db2.gz XZWBSOSPZMULOG-CZAAIQMYSA-N 2 2 404.599 3.581 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097774 1007116799 /nfs/dbraw/zinc/11/67/99/1007116799.db2.gz XZWBSOSPZMULOG-CZAAIQMYSA-N 2 2 404.599 3.581 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108812 1007133382 /nfs/dbraw/zinc/13/33/82/1007133382.db2.gz BVKLSWGNRAFPBU-RPWUZVMVSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108812 1007133403 /nfs/dbraw/zinc/13/34/03/1007133403.db2.gz BVKLSWGNRAFPBU-RPWUZVMVSA-N 2 2 423.605 3.713 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117882 1007147828 /nfs/dbraw/zinc/14/78/28/1007147828.db2.gz QPLGWYBGYDHKKX-UXHICEINSA-N 2 2 410.965 3.598 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117882 1007147830 /nfs/dbraw/zinc/14/78/30/1007147830.db2.gz QPLGWYBGYDHKKX-UXHICEINSA-N 2 2 410.965 3.598 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119805 1007151695 /nfs/dbraw/zinc/15/16/95/1007151695.db2.gz DDSPYEPIMDJBJM-YADHBBJMSA-N 2 2 422.658 3.562 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119805 1007151698 /nfs/dbraw/zinc/15/16/98/1007151698.db2.gz DDSPYEPIMDJBJM-YADHBBJMSA-N 2 2 422.658 3.562 20 0 HHADLP CCC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532836325 1007218980 /nfs/dbraw/zinc/21/89/80/1007218980.db2.gz XZERSVDOPJISPV-OAQYLSRUSA-N 2 2 409.578 3.991 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[N@H+](Cc3cccs3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000516745869 1007270104 /nfs/dbraw/zinc/27/01/04/1007270104.db2.gz VUMXRBJATRKHMD-UHFFFAOYSA-N 2 2 415.607 3.529 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[N@@H+](Cc3cccs3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000516745869 1007270111 /nfs/dbraw/zinc/27/01/11/1007270111.db2.gz VUMXRBJATRKHMD-UHFFFAOYSA-N 2 2 415.607 3.529 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ncc(Br)s3)cc2)CC1 ZINC000535230524 1007283488 /nfs/dbraw/zinc/28/34/88/1007283488.db2.gz PEYOAMPFARIZLG-OAHLLOKOSA-N 2 2 423.424 3.894 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535256947 1007307850 /nfs/dbraw/zinc/30/78/50/1007307850.db2.gz GIYUMXIZTZZRRG-OAQYLSRUSA-N 2 2 400.592 3.658 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069979 1007362320 /nfs/dbraw/zinc/36/23/20/1007362320.db2.gz BXVYWVSKONDJJT-JXFKEZNVSA-N 2 2 401.938 3.549 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069979 1007362334 /nfs/dbraw/zinc/36/23/34/1007362334.db2.gz BXVYWVSKONDJJT-JXFKEZNVSA-N 2 2 401.938 3.549 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000535326637 1007379552 /nfs/dbraw/zinc/37/95/52/1007379552.db2.gz LZQXOLVNCGIALG-OAQYLSRUSA-N 2 2 413.525 3.998 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OC4CCC4)cc3Cl)CC2)CC1 ZINC000535339693 1007392144 /nfs/dbraw/zinc/39/21/44/1007392144.db2.gz INRJPDCQIAVLFC-UHFFFAOYSA-N 2 2 405.970 3.560 20 0 HHADLP CC[N@H+](Cc1cccc(C(=O)NC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074003 1007436570 /nfs/dbraw/zinc/43/65/70/1007436570.db2.gz DTBOTVILULIVIK-UHFFFAOYSA-N 2 2 409.578 3.759 20 0 HHADLP CC[N@@H+](Cc1cccc(C(=O)NC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074003 1007436576 /nfs/dbraw/zinc/43/65/76/1007436576.db2.gz DTBOTVILULIVIK-UHFFFAOYSA-N 2 2 409.578 3.759 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169201 1007508944 /nfs/dbraw/zinc/50/89/44/1007508944.db2.gz FBTOCKNPINEVDH-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169201 1007508954 /nfs/dbraw/zinc/50/89/54/1007508954.db2.gz FBTOCKNPINEVDH-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533170019 1007509457 /nfs/dbraw/zinc/50/94/57/1007509457.db2.gz PRZBMKZTLMFJTP-OALUTQOASA-N 2 2 410.965 3.786 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533170019 1007509463 /nfs/dbraw/zinc/50/94/63/1007509463.db2.gz PRZBMKZTLMFJTP-OALUTQOASA-N 2 2 410.965 3.786 20 0 HHADLP Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)s2)c1 ZINC000533248249 1007567182 /nfs/dbraw/zinc/56/71/82/1007567182.db2.gz DWQMNCKEAHPHPS-UHFFFAOYSA-N 2 2 400.592 3.645 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1c1ccccc1 ZINC000517342657 1007581909 /nfs/dbraw/zinc/58/19/09/1007581909.db2.gz KNFGSJISFKGSJY-MDNUFGMLSA-N 2 2 413.512 3.881 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1c1ccccc1 ZINC000517342657 1007581916 /nfs/dbraw/zinc/58/19/16/1007581916.db2.gz KNFGSJISFKGSJY-MDNUFGMLSA-N 2 2 413.512 3.881 20 0 HHADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000535668754 1007686403 /nfs/dbraw/zinc/68/64/03/1007686403.db2.gz ZOMLDNAAWYANNO-UHFFFAOYSA-N 2 2 418.541 3.619 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517470826 1007696168 /nfs/dbraw/zinc/69/61/68/1007696168.db2.gz MUFNAFJEQWKJFI-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517470826 1007696172 /nfs/dbraw/zinc/69/61/72/1007696172.db2.gz MUFNAFJEQWKJFI-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP CC[N@H+](CC(=O)NCCC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395133 1007706479 /nfs/dbraw/zinc/70/64/79/1007706479.db2.gz KNQPAUWJPNUQNX-UHFFFAOYSA-N 2 2 403.615 3.752 20 0 HHADLP CC[N@@H+](CC(=O)NCCC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395133 1007706495 /nfs/dbraw/zinc/70/64/95/1007706495.db2.gz KNQPAUWJPNUQNX-UHFFFAOYSA-N 2 2 403.615 3.752 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1)[NH+]1CCOCC1 ZINC000535681680 1007711269 /nfs/dbraw/zinc/71/12/69/1007711269.db2.gz VKNBVBNISCUWGN-KRWDZBQOSA-N 2 2 414.525 3.602 20 0 HHADLP COc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OCC(F)(F)F ZINC000533444009 1007758739 /nfs/dbraw/zinc/75/87/39/1007758739.db2.gz UYOHERRPZGNJOB-QGZVFWFLSA-N 2 2 424.467 3.784 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461497 1007772462 /nfs/dbraw/zinc/77/24/62/1007772462.db2.gz VFBLGXSQEOFPJA-IOMROCGXSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461497 1007772467 /nfs/dbraw/zinc/77/24/67/1007772467.db2.gz VFBLGXSQEOFPJA-IOMROCGXSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495122 1007805580 /nfs/dbraw/zinc/80/55/80/1007805580.db2.gz FKEFQCAIQKNDFP-MSOLQXFVSA-N 2 2 414.363 3.572 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495122 1007805587 /nfs/dbraw/zinc/80/55/87/1007805587.db2.gz FKEFQCAIQKNDFP-MSOLQXFVSA-N 2 2 414.363 3.572 20 0 HHADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539508362 1007817775 /nfs/dbraw/zinc/81/77/75/1007817775.db2.gz OBQHDHFVXGIFDR-DHIUTWEWSA-N 2 2 421.589 3.803 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535810328 1007821211 /nfs/dbraw/zinc/82/12/11/1007821211.db2.gz CVQRAHWCEBBKLZ-OXQOHEQNSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535810328 1007821226 /nfs/dbraw/zinc/82/12/26/1007821226.db2.gz CVQRAHWCEBBKLZ-OXQOHEQNSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810328 1007821235 /nfs/dbraw/zinc/82/12/35/1007821235.db2.gz CVQRAHWCEBBKLZ-OXQOHEQNSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810328 1007821242 /nfs/dbraw/zinc/82/12/42/1007821242.db2.gz CVQRAHWCEBBKLZ-OXQOHEQNSA-N 2 2 403.368 3.859 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849589 1007862353 /nfs/dbraw/zinc/86/23/53/1007862353.db2.gz JKWHGMCJUWVQNC-WTIAFYNJSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849589 1007862356 /nfs/dbraw/zinc/86/23/56/1007862356.db2.gz JKWHGMCJUWVQNC-WTIAFYNJSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535853930 1007868338 /nfs/dbraw/zinc/86/83/38/1007868338.db2.gz FOSABIKICLFXET-LEWJYISDSA-N 2 2 422.013 3.687 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535853930 1007868345 /nfs/dbraw/zinc/86/83/45/1007868345.db2.gz FOSABIKICLFXET-LEWJYISDSA-N 2 2 422.013 3.687 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856648 1007871371 /nfs/dbraw/zinc/87/13/71/1007871371.db2.gz QTZRLGYBOWCXEA-RPWUZVMVSA-N 2 2 423.605 3.794 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856648 1007871415 /nfs/dbraw/zinc/87/14/15/1007871415.db2.gz QTZRLGYBOWCXEA-RPWUZVMVSA-N 2 2 423.605 3.794 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866372 1007882327 /nfs/dbraw/zinc/88/23/27/1007882327.db2.gz OANMYMGPGVSAHY-FCHUYYIVSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866372 1007882338 /nfs/dbraw/zinc/88/23/38/1007882338.db2.gz OANMYMGPGVSAHY-FCHUYYIVSA-N 2 2 421.029 3.861 20 0 HHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567420 1007882691 /nfs/dbraw/zinc/88/26/91/1007882691.db2.gz BLDFELFEWDLFML-CTNGQTDRSA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567420 1007882708 /nfs/dbraw/zinc/88/27/08/1007882708.db2.gz BLDFELFEWDLFML-CTNGQTDRSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567420 1007882719 /nfs/dbraw/zinc/88/27/19/1007882719.db2.gz BLDFELFEWDLFML-CTNGQTDRSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567420 1007882726 /nfs/dbraw/zinc/88/27/26/1007882726.db2.gz BLDFELFEWDLFML-CTNGQTDRSA-N 2 2 423.523 3.860 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2cc(F)ccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535875021 1007892468 /nfs/dbraw/zinc/89/24/68/1007892468.db2.gz FECGVXSMEOEJGF-ZLNRFVROSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2cc(F)ccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535875021 1007892478 /nfs/dbraw/zinc/89/24/78/1007892478.db2.gz FECGVXSMEOEJGF-ZLNRFVROSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535875014 1007892516 /nfs/dbraw/zinc/89/25/16/1007892516.db2.gz FECGVXSMEOEJGF-DNVJHFABSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535875014 1007892519 /nfs/dbraw/zinc/89/25/19/1007892519.db2.gz FECGVXSMEOEJGF-DNVJHFABSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535875022 1007892783 /nfs/dbraw/zinc/89/27/83/1007892783.db2.gz FECGVXSMEOEJGF-ZRBLBEILSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535875022 1007892796 /nfs/dbraw/zinc/89/27/96/1007892796.db2.gz FECGVXSMEOEJGF-ZRBLBEILSA-N 2 2 416.585 3.792 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876677 1007894920 /nfs/dbraw/zinc/89/49/20/1007894920.db2.gz OJCLSOGSGRACDF-YADHBBJMSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876677 1007894928 /nfs/dbraw/zinc/89/49/28/1007894928.db2.gz OJCLSOGSGRACDF-YADHBBJMSA-N 2 2 416.610 3.564 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626806 1007929411 /nfs/dbraw/zinc/92/94/11/1007929411.db2.gz PREIPEFFESJRNO-YQVWRLOYSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626806 1007929420 /nfs/dbraw/zinc/92/94/20/1007929420.db2.gz PREIPEFFESJRNO-YQVWRLOYSA-N 2 2 424.973 3.888 20 0 HHADLP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000533639424 1007946788 /nfs/dbraw/zinc/94/67/88/1007946788.db2.gz DEFILPHURICNIU-WIOPSUGQSA-N 2 2 410.558 3.655 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646736 1007955737 /nfs/dbraw/zinc/95/57/37/1007955737.db2.gz GJRZMBJCCQDSGO-FCHUYYIVSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646736 1007955746 /nfs/dbraw/zinc/95/57/46/1007955746.db2.gz GJRZMBJCCQDSGO-FCHUYYIVSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648517 1007958329 /nfs/dbraw/zinc/95/83/29/1007958329.db2.gz KBLRMJIGBLQBRZ-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648517 1007958337 /nfs/dbraw/zinc/95/83/37/1007958337.db2.gz KBLRMJIGBLQBRZ-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649888 1007960603 /nfs/dbraw/zinc/96/06/03/1007960603.db2.gz YIMLYECEEZGOAA-FCHUYYIVSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649888 1007960609 /nfs/dbraw/zinc/96/06/09/1007960609.db2.gz YIMLYECEEZGOAA-FCHUYYIVSA-N 2 2 419.635 3.583 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649949 1007961292 /nfs/dbraw/zinc/96/12/92/1007961292.db2.gz ZCLYJIGVBVLBJY-XPWALMASSA-N 2 2 415.647 3.813 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649949 1007961298 /nfs/dbraw/zinc/96/12/98/1007961298.db2.gz ZCLYJIGVBVLBJY-XPWALMASSA-N 2 2 415.647 3.813 20 0 HHADLP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000539653225 1007970152 /nfs/dbraw/zinc/97/01/52/1007970152.db2.gz QMJKYILWIGYFBY-XMMPIXPASA-N 2 2 414.553 3.568 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662447 1007977915 /nfs/dbraw/zinc/97/79/15/1007977915.db2.gz HPAMHJMCSBZYCJ-YADHBBJMSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662447 1007977926 /nfs/dbraw/zinc/97/79/26/1007977926.db2.gz HPAMHJMCSBZYCJ-YADHBBJMSA-N 2 2 404.574 3.613 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662921 1007978848 /nfs/dbraw/zinc/97/88/48/1007978848.db2.gz MCCCAIBRHUKXGJ-PKTZIBPZSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662921 1007978856 /nfs/dbraw/zinc/97/88/56/1007978856.db2.gz MCCCAIBRHUKXGJ-PKTZIBPZSA-N 2 2 422.658 3.704 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687785 1008007758 /nfs/dbraw/zinc/00/77/58/1008007758.db2.gz DRJCRWKHMYOUOY-INIZCTEOSA-N 2 2 411.550 3.752 20 0 HHADLP COCCc1nc(C)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000539691683 1008010137 /nfs/dbraw/zinc/01/01/37/1008010137.db2.gz QOGGGGFYMCDSNP-OAHLLOKOSA-N 2 2 403.596 3.739 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000535987837 1008026909 /nfs/dbraw/zinc/02/69/09/1008026909.db2.gz DMIJHGBKIRJQQT-STQMWFEESA-N 2 2 415.426 3.606 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000536059716 1008089685 /nfs/dbraw/zinc/08/96/85/1008089685.db2.gz RPKOJSSFVCXWRJ-PNCHPQGNSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000536059716 1008089688 /nfs/dbraw/zinc/08/96/88/1008089688.db2.gz RPKOJSSFVCXWRJ-PNCHPQGNSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)s1 ZINC000533785549 1008108605 /nfs/dbraw/zinc/10/86/05/1008108605.db2.gz TZXLGFWBMDVJHU-CYBMUJFWSA-N 2 2 410.381 3.713 20 0 HHADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)c2)CC1 ZINC000539872225 1008153066 /nfs/dbraw/zinc/15/30/66/1008153066.db2.gz BKQIAGXWBXTTSU-UHFFFAOYSA-N 2 2 407.562 3.710 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)O1 ZINC000518099844 1008158751 /nfs/dbraw/zinc/15/87/51/1008158751.db2.gz IWMRAIBQNDHULT-IYWMVGAKSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)O1 ZINC000518099844 1008158755 /nfs/dbraw/zinc/15/87/55/1008158755.db2.gz IWMRAIBQNDHULT-IYWMVGAKSA-N 2 2 402.583 3.680 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539912136 1008180723 /nfs/dbraw/zinc/18/07/23/1008180723.db2.gz LTZIOULHPXUIOI-LEWJYISDSA-N 2 2 406.640 3.659 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539912136 1008180726 /nfs/dbraw/zinc/18/07/26/1008180726.db2.gz LTZIOULHPXUIOI-LEWJYISDSA-N 2 2 406.640 3.659 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)cc1 ZINC000540168068 1008319785 /nfs/dbraw/zinc/31/97/85/1008319785.db2.gz BQFQPZATANMZKD-YADARESESA-N 2 2 407.558 3.627 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2)cc1 ZINC000540168068 1008319789 /nfs/dbraw/zinc/31/97/89/1008319789.db2.gz BQFQPZATANMZKD-YADARESESA-N 2 2 407.558 3.627 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190466 1008329205 /nfs/dbraw/zinc/32/92/05/1008329205.db2.gz YQVOHOMZXLFZDZ-JXFKEZNVSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190466 1008329207 /nfs/dbraw/zinc/32/92/07/1008329207.db2.gz YQVOHOMZXLFZDZ-JXFKEZNVSA-N 2 2 404.352 3.723 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000540317207 1008377242 /nfs/dbraw/zinc/37/72/42/1008377242.db2.gz IHIYSKLADOCVMN-HSQYWUDLSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000540317207 1008377245 /nfs/dbraw/zinc/37/72/45/1008377245.db2.gz IHIYSKLADOCVMN-HSQYWUDLSA-N 2 2 415.375 3.909 20 0 HHADLP CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000540351312 1008393424 /nfs/dbraw/zinc/39/34/24/1008393424.db2.gz MINCQCMDJZNOAW-GOSISDBHSA-N 2 2 402.564 3.817 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912926 1008470875 /nfs/dbraw/zinc/47/08/75/1008470875.db2.gz JWVCTZDIYZDJCT-HTAPYJJXSA-N 2 2 414.525 3.643 20 0 HHADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000540536648 1008472611 /nfs/dbraw/zinc/47/26/11/1008472611.db2.gz IIKDRGSAYDJFRR-UHFFFAOYSA-N 2 2 419.525 3.678 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548178 1008476545 /nfs/dbraw/zinc/47/65/45/1008476545.db2.gz DAWOFIHYOFKVRI-LEWJYISDSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548178 1008476547 /nfs/dbraw/zinc/47/65/47/1008476547.db2.gz DAWOFIHYOFKVRI-LEWJYISDSA-N 2 2 413.566 3.937 20 0 HHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000519019582 1008502873 /nfs/dbraw/zinc/50/28/73/1008502873.db2.gz XCSDNOFURFPJQR-UHFFFAOYSA-N 2 2 405.546 3.926 20 0 HHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000548945815 1008531640 /nfs/dbraw/zinc/53/16/40/1008531640.db2.gz GSDQBQQQWPERBC-FQEVSTJZSA-N 2 2 400.526 3.809 20 0 HHADLP Cc1ccccc1[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CCC(C)CC1 ZINC000543014940 1008592990 /nfs/dbraw/zinc/59/29/90/1008592990.db2.gz OWABGUGYBWDKBT-GCKKQHTFSA-N 2 2 401.639 3.842 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000543060802 1008638580 /nfs/dbraw/zinc/63/85/80/1008638580.db2.gz PUJXUJKPLXLLLL-SFHVURJKSA-N 2 2 416.541 3.570 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000543090622 1008667485 /nfs/dbraw/zinc/66/74/85/1008667485.db2.gz YVJUVPIAFRAQOV-AOYPEHQESA-N 2 2 414.553 3.850 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000543090622 1008667495 /nfs/dbraw/zinc/66/74/95/1008667495.db2.gz YVJUVPIAFRAQOV-AOYPEHQESA-N 2 2 414.553 3.850 20 0 HHADLP c1ccc(C[NH+]2CCC(c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)CC2)cc1 ZINC000545593758 1008692939 /nfs/dbraw/zinc/69/29/39/1008692939.db2.gz GXDZUUVCORVNLY-UHFFFAOYSA-N 2 2 418.541 3.948 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165471 1008737564 /nfs/dbraw/zinc/73/75/64/1008737564.db2.gz JNGUKFVZICEUNC-REWPJTCUSA-N 2 2 407.558 3.691 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165471 1008737578 /nfs/dbraw/zinc/73/75/78/1008737578.db2.gz JNGUKFVZICEUNC-REWPJTCUSA-N 2 2 407.558 3.691 20 0 HHADLP Cc1cc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccnc2)ccc1F ZINC000543409603 1009003282 /nfs/dbraw/zinc/00/32/82/1009003282.db2.gz WENDGDMTJPNFTA-XMMPIXPASA-N 2 2 405.521 3.555 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000519790287 1009009289 /nfs/dbraw/zinc/00/92/89/1009009289.db2.gz OEMFEIIBDPDKSY-SFHVURJKSA-N 2 2 420.479 3.507 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000519790287 1009009303 /nfs/dbraw/zinc/00/93/03/1009009303.db2.gz OEMFEIIBDPDKSY-SFHVURJKSA-N 2 2 420.479 3.507 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000545954637 1009017386 /nfs/dbraw/zinc/01/73/86/1009017386.db2.gz YDTICULXVZRMTF-XXBNENTESA-N 2 2 416.525 3.906 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545969988 1009024828 /nfs/dbraw/zinc/02/48/28/1009024828.db2.gz LNZUPMGGXXJVLO-BRLSKQCNSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545969988 1009024840 /nfs/dbraw/zinc/02/48/40/1009024840.db2.gz LNZUPMGGXXJVLO-BRLSKQCNSA-N 2 2 412.622 3.911 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000543485022 1009073285 /nfs/dbraw/zinc/07/32/85/1009073285.db2.gz GQKZKUVJDQNBGF-HXUWFJFHSA-N 2 2 400.592 3.535 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000543485022 1009073302 /nfs/dbraw/zinc/07/33/02/1009073302.db2.gz GQKZKUVJDQNBGF-HXUWFJFHSA-N 2 2 400.592 3.535 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000543518257 1009108997 /nfs/dbraw/zinc/10/89/97/1009108997.db2.gz IGOUSXBEFOJHSY-WMZOPIPTSA-N 2 2 400.592 3.630 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000546167646 1009200281 /nfs/dbraw/zinc/20/02/81/1009200281.db2.gz WSKJOAFXJJCZKB-UHFFFAOYSA-N 2 2 422.411 3.828 20 0 HHADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000543653114 1009257854 /nfs/dbraw/zinc/25/78/54/1009257854.db2.gz RVWCWNGKNWMJAT-UHFFFAOYSA-N 2 2 422.978 3.508 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000543760279 1009332151 /nfs/dbraw/zinc/33/21/51/1009332151.db2.gz WEQGBSLUKQAJDQ-UHFFFAOYSA-N 2 2 407.562 3.977 20 0 HHADLP CC[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000520200312 1009338791 /nfs/dbraw/zinc/33/87/91/1009338791.db2.gz LFNFRVPZSOMDCP-OAQYLSRUSA-N 2 2 410.562 3.685 20 0 HHADLP CC[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@H+]1CCc2ccccc2C1 ZINC000520200312 1009338809 /nfs/dbraw/zinc/33/88/09/1009338809.db2.gz LFNFRVPZSOMDCP-OAQYLSRUSA-N 2 2 410.562 3.685 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819384 1009379739 /nfs/dbraw/zinc/37/97/39/1009379739.db2.gz VSSYMBDSJSYBTR-SWUCNREESA-N 2 2 407.643 3.623 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819384 1009379757 /nfs/dbraw/zinc/37/97/57/1009379757.db2.gz VSSYMBDSJSYBTR-SWUCNREESA-N 2 2 407.643 3.623 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549945142 1009553910 /nfs/dbraw/zinc/55/39/10/1009553910.db2.gz WMZGIHGDPRVRGS-FCHUYYIVSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549945142 1009553921 /nfs/dbraw/zinc/55/39/21/1009553921.db2.gz WMZGIHGDPRVRGS-FCHUYYIVSA-N 2 2 412.578 3.911 20 0 HHADLP CC(C)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCC(C)CC1 ZINC000543965389 1009568334 /nfs/dbraw/zinc/56/83/34/1009568334.db2.gz QTQFIRJEFJSULY-JOCHJYFZSA-N 2 2 403.615 3.841 20 0 HHADLP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543990688 1009589635 /nfs/dbraw/zinc/58/96/35/1009589635.db2.gz QVBWGRGZWRNLTJ-UHFFFAOYSA-N 2 2 424.593 3.749 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033684 1009629399 /nfs/dbraw/zinc/62/93/99/1009629399.db2.gz MJFJQCCIPUKXDG-NVRFMJDISA-N 2 2 410.965 3.739 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033684 1009629404 /nfs/dbraw/zinc/62/94/04/1009629404.db2.gz MJFJQCCIPUKXDG-NVRFMJDISA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033684 1009629410 /nfs/dbraw/zinc/62/94/10/1009629410.db2.gz MJFJQCCIPUKXDG-NVRFMJDISA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033684 1009629416 /nfs/dbraw/zinc/62/94/16/1009629416.db2.gz MJFJQCCIPUKXDG-NVRFMJDISA-N 2 2 410.965 3.739 20 0 HHADLP COc1ccc(Br)cc1C[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000544347404 1009973058 /nfs/dbraw/zinc/97/30/58/1009973058.db2.gz RYJNWXLOUAXOCZ-UHFFFAOYSA-N 2 2 401.308 3.979 20 0 HHADLP COc1ccc(Br)cc1C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000544347404 1009973069 /nfs/dbraw/zinc/97/30/69/1009973069.db2.gz RYJNWXLOUAXOCZ-UHFFFAOYSA-N 2 2 401.308 3.979 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351094 1009977169 /nfs/dbraw/zinc/97/71/69/1009977169.db2.gz KCPWPMAWOFALPB-DNVCBOLYSA-N 2 2 403.368 3.854 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351094 1009977187 /nfs/dbraw/zinc/97/71/87/1009977187.db2.gz KCPWPMAWOFALPB-DNVCBOLYSA-N 2 2 403.368 3.854 20 0 HHADLP Fc1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)nc1 ZINC000544365676 1009993779 /nfs/dbraw/zinc/99/37/79/1009993779.db2.gz QZWBWKIJISBPQP-VWLOTQADSA-N 2 2 404.533 3.718 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1nccs1 ZINC000544410983 1010029920 /nfs/dbraw/zinc/02/99/20/1010029920.db2.gz KPNPLTXPSCCVIK-PMACEKPBSA-N 2 2 416.591 3.536 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000521059008 1010079138 /nfs/dbraw/zinc/07/91/38/1010079138.db2.gz BFGBDNWSIAVLGC-UHFFFAOYSA-N 2 2 404.514 3.523 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)CC3 ZINC000547312672 1010249092 /nfs/dbraw/zinc/24/90/92/1010249092.db2.gz GZHGSUVJYTYJQI-WMZOPIPTSA-N 2 2 405.546 3.681 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000547325676 1010254137 /nfs/dbraw/zinc/25/41/37/1010254137.db2.gz GDJKLXCTGOAUMV-UHFFFAOYSA-N 3 2 401.595 3.570 20 0 HHADLP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000550917474 1010255451 /nfs/dbraw/zinc/25/54/51/1010255451.db2.gz PNKFRTGRYMEFNH-HSZRJFAPSA-N 2 2 408.030 3.683 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960620 1010281709 /nfs/dbraw/zinc/28/17/09/1010281709.db2.gz GVWYQGVDBNGDPR-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960620 1010281723 /nfs/dbraw/zinc/28/17/23/1010281723.db2.gz GVWYQGVDBNGDPR-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000544826246 1010417757 /nfs/dbraw/zinc/41/77/57/1010417757.db2.gz DRQMZHXTQSWWAS-LJQANCHMSA-N 2 2 424.427 3.928 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(Br)c1 ZINC000551275447 1010488669 /nfs/dbraw/zinc/48/86/69/1010488669.db2.gz RZTRYQQKQWANAN-KBXCAEBGSA-N 2 2 407.327 3.658 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(Br)c1 ZINC000551275447 1010488673 /nfs/dbraw/zinc/48/86/73/1010488673.db2.gz RZTRYQQKQWANAN-KBXCAEBGSA-N 2 2 407.327 3.658 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000521623515 1010510003 /nfs/dbraw/zinc/51/00/03/1010510003.db2.gz JOYMAKXZAYTNCQ-IBGZPJMESA-N 2 2 415.969 3.864 20 0 HHADLP c1[nH+]c([C@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448175 1010592123 /nfs/dbraw/zinc/59/21/23/1010592123.db2.gz LSCUJMYIMFWMTR-UPVQGACJSA-N 2 2 408.590 3.690 20 0 HHADLP c1[nH+]c([C@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448175 1010592135 /nfs/dbraw/zinc/59/21/35/1010592135.db2.gz LSCUJMYIMFWMTR-UPVQGACJSA-N 2 2 408.590 3.690 20 0 HHADLP CC(C)(C)c1ncc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000551547336 1010652913 /nfs/dbraw/zinc/65/29/13/1010652913.db2.gz LWZOZCZMGXSOCV-UHFFFAOYSA-N 2 2 401.986 3.729 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000521841468 1010653134 /nfs/dbraw/zinc/65/31/34/1010653134.db2.gz KWZNTLMNCDVVDB-RUZDIDTESA-N 2 2 418.585 3.781 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336490 1010734532 /nfs/dbraw/zinc/73/45/32/1010734532.db2.gz RWGIRTRJOJFHTF-AHRSYUTCSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336490 1010734540 /nfs/dbraw/zinc/73/45/40/1010734540.db2.gz RWGIRTRJOJFHTF-AHRSYUTCSA-N 2 2 421.655 3.534 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703254 1010749512 /nfs/dbraw/zinc/74/95/12/1010749512.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703254 1010749525 /nfs/dbraw/zinc/74/95/25/1010749525.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703254 1010749536 /nfs/dbraw/zinc/74/95/36/1010749536.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703254 1010749544 /nfs/dbraw/zinc/74/95/44/1010749544.db2.gz VNNOYZNKNFGURY-UCGXPXSYSA-N 3 2 407.602 3.778 20 0 HHADLP O=C(CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000548930519 1010766077 /nfs/dbraw/zinc/76/60/77/1010766077.db2.gz QROMEDDLGGHAKK-NUNAXRQHSA-N 2 2 404.558 3.531 20 0 HHADLP O=C(CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000548930519 1010766082 /nfs/dbraw/zinc/76/60/82/1010766082.db2.gz QROMEDDLGGHAKK-NUNAXRQHSA-N 2 2 404.558 3.531 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522400658 1010982465 /nfs/dbraw/zinc/98/24/65/1010982465.db2.gz FKIUYSLJXGLAMA-UHFFFAOYSA-N 2 2 417.557 3.926 20 0 HHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522400658 1010982470 /nfs/dbraw/zinc/98/24/70/1010982470.db2.gz FKIUYSLJXGLAMA-UHFFFAOYSA-N 2 2 417.557 3.926 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000522447006 1011017686 /nfs/dbraw/zinc/01/76/86/1011017686.db2.gz UEENQYNYKZVXGZ-HSZRJFAPSA-N 2 2 403.530 3.817 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000522447007 1011017842 /nfs/dbraw/zinc/01/78/42/1011017842.db2.gz UEENQYNYKZVXGZ-QHCPKHFHSA-N 2 2 403.530 3.817 20 0 HHADLP O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522472008 1011033231 /nfs/dbraw/zinc/03/32/31/1011033231.db2.gz UUYPJUVGIZNEKX-HSZRJFAPSA-N 2 2 409.599 3.689 20 0 HHADLP O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522472008 1011033238 /nfs/dbraw/zinc/03/32/38/1011033238.db2.gz UUYPJUVGIZNEKX-HSZRJFAPSA-N 2 2 409.599 3.689 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000522684413 1011157600 /nfs/dbraw/zinc/15/76/00/1011157600.db2.gz BZPPKPKPMAJJQX-NRFANRHFSA-N 2 2 414.619 3.699 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000522684413 1011157604 /nfs/dbraw/zinc/15/76/04/1011157604.db2.gz BZPPKPKPMAJJQX-NRFANRHFSA-N 2 2 414.619 3.699 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587270 1011242724 /nfs/dbraw/zinc/24/27/24/1011242724.db2.gz DKLXMPYHERXSIR-QHCPKHFHSA-N 2 2 402.542 3.916 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587270 1011242735 /nfs/dbraw/zinc/24/27/35/1011242735.db2.gz DKLXMPYHERXSIR-QHCPKHFHSA-N 2 2 402.542 3.916 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000540633860 1011281528 /nfs/dbraw/zinc/28/15/28/1011281528.db2.gz KKFZUNACHMCACI-LJQANCHMSA-N 2 2 413.591 3.691 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000540638719 1011287324 /nfs/dbraw/zinc/28/73/24/1011287324.db2.gz QQEXTEISSGGSMB-RXVVDRJESA-N 2 2 411.550 3.535 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000536302014 1011490956 /nfs/dbraw/zinc/49/09/56/1011490956.db2.gz JLFJJJJIZYTIJR-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000536302014 1011490962 /nfs/dbraw/zinc/49/09/62/1011490962.db2.gz JLFJJJJIZYTIJR-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP CCN(Cc1ccc2ccccc2c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523309015 1011785987 /nfs/dbraw/zinc/78/59/87/1011785987.db2.gz SZVVQJNXCLAIEY-UHFFFAOYSA-N 2 2 408.590 3.930 20 0 HHADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000536653471 1011802206 /nfs/dbraw/zinc/80/22/06/1011802206.db2.gz JQCYFFPJOCUQMT-HSZRJFAPSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000536653471 1011802216 /nfs/dbraw/zinc/80/22/16/1011802216.db2.gz JQCYFFPJOCUQMT-HSZRJFAPSA-N 2 2 408.590 3.903 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000536708589 1011880482 /nfs/dbraw/zinc/88/04/82/1011880482.db2.gz HTSXBVMJYOBUSK-UHFFFAOYSA-N 2 2 416.013 3.825 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251980 1011934873 /nfs/dbraw/zinc/93/48/73/1011934873.db2.gz OFOUYGHJAKIWJG-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251980 1011934882 /nfs/dbraw/zinc/93/48/82/1011934882.db2.gz OFOUYGHJAKIWJG-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536807265 1012031515 /nfs/dbraw/zinc/03/15/15/1012031515.db2.gz PZBBKDJMZILWGN-LJQANCHMSA-N 2 2 424.570 3.898 20 0 HHADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322892 1012033612 /nfs/dbraw/zinc/03/36/12/1012033612.db2.gz WAWCBBQMBDWSCP-NTKDMRAZSA-N 2 2 423.557 3.549 20 0 HHADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322892 1012033631 /nfs/dbraw/zinc/03/36/31/1012033631.db2.gz WAWCBBQMBDWSCP-NTKDMRAZSA-N 2 2 423.557 3.549 20 0 HHADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000541336641 1012047936 /nfs/dbraw/zinc/04/79/36/1012047936.db2.gz QDOWUYTYOUXQEI-LJQANCHMSA-N 2 2 409.496 3.757 20 0 HHADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000541336641 1012047943 /nfs/dbraw/zinc/04/79/43/1012047943.db2.gz QDOWUYTYOUXQEI-LJQANCHMSA-N 2 2 409.496 3.757 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(C)c1OC ZINC000552045596 1012064871 /nfs/dbraw/zinc/06/48/71/1012064871.db2.gz KONUICKXUAMLJL-LJQANCHMSA-N 2 2 414.546 3.574 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067670 /nfs/dbraw/zinc/06/76/70/1012067670.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047561 1012067684 /nfs/dbraw/zinc/06/76/84/1012067684.db2.gz QTRMYLSACQRTPX-CCDWMCETSA-N 3 2 411.634 3.912 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048442 1012068755 /nfs/dbraw/zinc/06/87/55/1012068755.db2.gz SROVNYFDRFUKKW-QZTJIDSGSA-N 2 2 401.473 3.569 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048442 1012068776 /nfs/dbraw/zinc/06/87/76/1012068776.db2.gz SROVNYFDRFUKKW-QZTJIDSGSA-N 2 2 401.473 3.569 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c(C)c1 ZINC000536840395 1012071405 /nfs/dbraw/zinc/07/14/05/1012071405.db2.gz QONPUQNPOGKCEC-AVRDEDQJSA-N 2 2 412.559 3.964 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398951 1012127306 /nfs/dbraw/zinc/12/73/06/1012127306.db2.gz WIRXKVWMJXQXSJ-VXKWHMMOSA-N 2 2 408.590 3.782 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114714 1012132504 /nfs/dbraw/zinc/13/25/04/1012132504.db2.gz XLOTYTMDJQDHGK-HFPIOELMSA-N 2 2 415.569 3.580 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114714 1012132509 /nfs/dbraw/zinc/13/25/09/1012132509.db2.gz XLOTYTMDJQDHGK-HFPIOELMSA-N 2 2 415.569 3.580 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409182 1012148021 /nfs/dbraw/zinc/14/80/21/1012148021.db2.gz YCRGTPADFQANLJ-VXKWHMMOSA-N 2 2 406.574 3.884 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409182 1012148034 /nfs/dbraw/zinc/14/80/34/1012148034.db2.gz YCRGTPADFQANLJ-VXKWHMMOSA-N 2 2 406.574 3.884 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597342 1012159793 /nfs/dbraw/zinc/15/97/93/1012159793.db2.gz ZUAAHKYDBBVGAD-PGRDOPGGSA-N 2 2 416.516 3.531 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597342 1012159804 /nfs/dbraw/zinc/15/98/04/1012159804.db2.gz ZUAAHKYDBBVGAD-PGRDOPGGSA-N 2 2 416.516 3.531 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523616289 1012190775 /nfs/dbraw/zinc/19/07/75/1012190775.db2.gz QAFCGDBZCHCWGZ-CALCHBBNSA-N 2 2 401.530 3.567 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523616289 1012190784 /nfs/dbraw/zinc/19/07/84/1012190784.db2.gz QAFCGDBZCHCWGZ-CALCHBBNSA-N 2 2 401.530 3.567 20 0 HHADLP Cc1nc(-c2ccccc2)sc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000541463506 1012224617 /nfs/dbraw/zinc/22/46/17/1012224617.db2.gz BZWCCYGHAFGZJR-UHFFFAOYSA-N 2 2 401.580 3.608 20 0 HHADLP Cc1nc(-c2ccccc2)sc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541463506 1012224639 /nfs/dbraw/zinc/22/46/39/1012224639.db2.gz BZWCCYGHAFGZJR-UHFFFAOYSA-N 2 2 401.580 3.608 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000536934864 1012224654 /nfs/dbraw/zinc/22/46/54/1012224654.db2.gz CKXFHWQTEMZDPC-ROUUACIJSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000536934862 1012225284 /nfs/dbraw/zinc/22/52/84/1012225284.db2.gz CKXFHWQTEMZDPC-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000536934862 1012225291 /nfs/dbraw/zinc/22/52/91/1012225291.db2.gz CKXFHWQTEMZDPC-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000523666876 1012262432 /nfs/dbraw/zinc/26/24/32/1012262432.db2.gz DUUNEDYVVAZFSZ-VIZSFHNOSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000523666876 1012262449 /nfs/dbraw/zinc/26/24/49/1012262449.db2.gz DUUNEDYVVAZFSZ-VIZSFHNOSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000552333323 1012342415 /nfs/dbraw/zinc/34/24/15/1012342415.db2.gz BFSYFWSHPYWWBV-RKCKCALGSA-N 2 2 421.585 4.000 20 0 HHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000552333323 1012342433 /nfs/dbraw/zinc/34/24/33/1012342433.db2.gz BFSYFWSHPYWWBV-RKCKCALGSA-N 2 2 421.585 4.000 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000552335537 1012345151 /nfs/dbraw/zinc/34/51/51/1012345151.db2.gz VSBONYSHMGWLLH-IPQPSQTFSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000552335537 1012345165 /nfs/dbraw/zinc/34/51/65/1012345165.db2.gz VSBONYSHMGWLLH-IPQPSQTFSA-N 2 2 408.384 3.573 20 0 HHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1F ZINC000552336777 1012348298 /nfs/dbraw/zinc/34/82/98/1012348298.db2.gz JHXAFZVNNYNKMC-CLVLRRQTSA-N 2 2 417.569 3.534 20 0 HHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1F ZINC000552336777 1012348320 /nfs/dbraw/zinc/34/83/20/1012348320.db2.gz JHXAFZVNNYNKMC-CLVLRRQTSA-N 2 2 417.569 3.534 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000552338220 1012349372 /nfs/dbraw/zinc/34/93/72/1012349372.db2.gz BMLUFFDPRPMQHR-JQHSSLGASA-N 2 2 408.384 3.634 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000552338220 1012349378 /nfs/dbraw/zinc/34/93/78/1012349378.db2.gz BMLUFFDPRPMQHR-JQHSSLGASA-N 2 2 408.384 3.634 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599881 1012393093 /nfs/dbraw/zinc/39/30/93/1012393093.db2.gz OPLUWJOAKZCUTR-HOTGVXAUSA-N 2 2 421.607 3.668 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599881 1012393103 /nfs/dbraw/zinc/39/31/03/1012393103.db2.gz OPLUWJOAKZCUTR-HOTGVXAUSA-N 2 2 421.607 3.668 20 0 HHADLP Cc1cnc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000541601976 1012399129 /nfs/dbraw/zinc/39/91/29/1012399129.db2.gz YHNOQCLBQQFRSJ-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1cnc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000541601976 1012399142 /nfs/dbraw/zinc/39/91/42/1012399142.db2.gz YHNOQCLBQQFRSJ-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000537110783 1012484860 /nfs/dbraw/zinc/48/48/60/1012484860.db2.gz SXZVPBNKJXCLHD-MRXNPFEDSA-N 2 2 403.498 3.506 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCC3CC[NH+](CCC(C)C)CC3)c2)cc[nH+]1 ZINC000541673528 1012504252 /nfs/dbraw/zinc/50/42/52/1012504252.db2.gz YVWDKTQFNOJQFT-UHFFFAOYSA-N 2 2 409.578 3.885 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226541 1012656780 /nfs/dbraw/zinc/65/67/80/1012656780.db2.gz ZQBQBXDNRZYQCM-PKTZIBPZSA-N 2 2 414.594 3.999 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226541 1012656790 /nfs/dbraw/zinc/65/67/90/1012656790.db2.gz ZQBQBXDNRZYQCM-PKTZIBPZSA-N 2 2 414.594 3.999 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294680 1012751693 /nfs/dbraw/zinc/75/16/93/1012751693.db2.gz FNQVRCFRWRYWCD-IERDGZPVSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294680 1012751708 /nfs/dbraw/zinc/75/17/08/1012751708.db2.gz FNQVRCFRWRYWCD-IERDGZPVSA-N 2 2 419.363 3.745 20 0 HHADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CC2 ZINC000552881678 1012888952 /nfs/dbraw/zinc/88/89/52/1012888952.db2.gz JVWOZPKEYSZIAN-SFHVURJKSA-N 2 2 420.479 3.507 20 0 HHADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CC2 ZINC000552881678 1012888969 /nfs/dbraw/zinc/88/89/69/1012888969.db2.gz JVWOZPKEYSZIAN-SFHVURJKSA-N 2 2 420.479 3.507 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C[C@@H](C)O1 ZINC000553026043 1013001920 /nfs/dbraw/zinc/00/19/20/1013001920.db2.gz YTWKANOBYLDQBS-QZTJIDSGSA-N 2 2 417.525 3.571 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542110126 1013043009 /nfs/dbraw/zinc/04/30/09/1013043009.db2.gz HOSRGHHEHAAWJI-HSZRJFAPSA-N 2 2 409.578 3.922 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC001670854655 1071793750 /nfs/dbraw/zinc/79/37/50/1071793750.db2.gz KVULQPLDMYYFRO-YSFYHYPLSA-N 2 2 422.658 3.559 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC001670854655 1071793763 /nfs/dbraw/zinc/79/37/63/1071793763.db2.gz KVULQPLDMYYFRO-YSFYHYPLSA-N 2 2 422.658 3.559 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684986 1071810766 /nfs/dbraw/zinc/81/07/66/1071810766.db2.gz ZOSQQGXZKUQDBP-LOSJGSFVSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684986 1071810778 /nfs/dbraw/zinc/81/07/78/1071810778.db2.gz ZOSQQGXZKUQDBP-LOSJGSFVSA-N 2 2 416.569 3.860 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675767 1072752222 /nfs/dbraw/zinc/75/22/22/1072752222.db2.gz HDTARIKTEMAXEO-GHTZIAJQSA-N 2 2 402.583 3.529 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675767 1072752225 /nfs/dbraw/zinc/75/22/25/1072752225.db2.gz HDTARIKTEMAXEO-GHTZIAJQSA-N 2 2 402.583 3.529 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709810 1073155590 /nfs/dbraw/zinc/15/55/90/1073155590.db2.gz DTPAEMDXFTVWEY-BZUAXINKSA-N 2 2 411.949 3.627 20 0 HHADLP Brc1cccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168365095 1073201519 /nfs/dbraw/zinc/20/15/19/1073201519.db2.gz LJRRCKSJMSXQOC-UHFFFAOYSA-N 2 2 403.368 3.658 20 0 HHADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000555334582 1073341436 /nfs/dbraw/zinc/34/14/36/1073341436.db2.gz XTBWBPFXFKVQHR-JOCHJYFZSA-N 2 2 407.606 3.943 20 0 HHADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000555334582 1073341441 /nfs/dbraw/zinc/34/14/41/1073341441.db2.gz XTBWBPFXFKVQHR-JOCHJYFZSA-N 2 2 407.606 3.943 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509019 1073576420 /nfs/dbraw/zinc/57/64/20/1073576420.db2.gz FRYNZABLRIHQSY-YADHBBJMSA-N 2 2 400.611 3.511 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509019 1073576428 /nfs/dbraw/zinc/57/64/28/1073576428.db2.gz FRYNZABLRIHQSY-YADHBBJMSA-N 2 2 400.611 3.511 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000555651257 1073705488 /nfs/dbraw/zinc/70/54/88/1073705488.db2.gz LSKHMJUJDFOCRG-UHFFFAOYSA-N 2 2 421.520 3.534 20 0 HHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000600327033 1073749294 /nfs/dbraw/zinc/74/92/94/1073749294.db2.gz XFXBVULYGMNTIX-HSZRJFAPSA-N 2 2 411.615 3.933 20 0 HHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000600327033 1073749297 /nfs/dbraw/zinc/74/92/97/1073749297.db2.gz XFXBVULYGMNTIX-HSZRJFAPSA-N 2 2 411.615 3.933 20 0 HHADLP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)[nH+]c1 ZINC000591372099 1074271567 /nfs/dbraw/zinc/27/15/67/1074271567.db2.gz UGFHPYGQVYCMNM-UHFFFAOYSA-N 2 2 406.574 3.729 20 0 HHADLP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)[nH+]c1 ZINC000591372099 1074271570 /nfs/dbraw/zinc/27/15/70/1074271570.db2.gz UGFHPYGQVYCMNM-UHFFFAOYSA-N 2 2 406.574 3.729 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000591575160 1074419812 /nfs/dbraw/zinc/41/98/12/1074419812.db2.gz NZDBPAVITXSXTK-UHFFFAOYSA-N 2 2 421.029 3.819 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000591575160 1074419815 /nfs/dbraw/zinc/41/98/15/1074419815.db2.gz NZDBPAVITXSXTK-UHFFFAOYSA-N 2 2 421.029 3.819 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292506 1075189958 /nfs/dbraw/zinc/18/99/58/1075189958.db2.gz CQLWYSRHMGBQHC-UPVQGACJSA-N 2 2 406.505 3.907 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292506 1075189961 /nfs/dbraw/zinc/18/99/61/1075189961.db2.gz CQLWYSRHMGBQHC-UPVQGACJSA-N 2 2 406.505 3.907 20 0 HHADLP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000574264433 1075192693 /nfs/dbraw/zinc/19/26/93/1075192693.db2.gz ROVQAJMJFCNBPU-RTLBZRNLSA-N 2 2 411.477 3.583 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474351 1075618820 /nfs/dbraw/zinc/61/88/20/1075618820.db2.gz OCIOVMXGFVZOMV-YTQUADARSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474351 1075618824 /nfs/dbraw/zinc/61/88/24/1075618824.db2.gz OCIOVMXGFVZOMV-YTQUADARSA-N 2 2 410.389 3.724 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474074 1075618843 /nfs/dbraw/zinc/61/88/43/1075618843.db2.gz LMTRTYDUVMGSBZ-SIKLNZKXSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474074 1075618844 /nfs/dbraw/zinc/61/88/44/1075618844.db2.gz LMTRTYDUVMGSBZ-SIKLNZKXSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476867 1075620179 /nfs/dbraw/zinc/62/01/79/1075620179.db2.gz ATFXZETUKKOCFD-QHCPKHFHSA-N 2 2 421.585 3.815 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476867 1075620181 /nfs/dbraw/zinc/62/01/81/1075620181.db2.gz ATFXZETUKKOCFD-QHCPKHFHSA-N 2 2 421.585 3.815 20 0 HHADLP CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477741 1075620911 /nfs/dbraw/zinc/62/09/11/1075620911.db2.gz UCWWPCFAWORDNC-SFHVURJKSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477741 1075620913 /nfs/dbraw/zinc/62/09/13/1075620913.db2.gz UCWWPCFAWORDNC-SFHVURJKSA-N 2 2 418.994 3.704 20 0 HHADLP CC(C)c1ccc(-c2nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000602202717 1075712182 /nfs/dbraw/zinc/71/21/82/1075712182.db2.gz QMUCFZICBQMPPF-LJQANCHMSA-N 2 2 412.603 3.832 20 0 HHADLP CC(C)c1ccc(-c2nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000602202717 1075712189 /nfs/dbraw/zinc/71/21/89/1075712189.db2.gz QMUCFZICBQMPPF-LJQANCHMSA-N 2 2 412.603 3.832 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201142 1075717100 /nfs/dbraw/zinc/71/71/00/1075717100.db2.gz JFQHZEMEJJHQHP-RCZVLFRGSA-N 2 2 421.585 3.654 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201142 1075717103 /nfs/dbraw/zinc/71/71/03/1075717103.db2.gz JFQHZEMEJJHQHP-RCZVLFRGSA-N 2 2 421.585 3.654 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000038810571 558665185 /nfs/dbraw/zinc/66/51/85/558665185.db2.gz RDLKWICCMMDMGR-UHFFFAOYSA-N 2 2 403.118 3.597 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164839373 720581176 /nfs/dbraw/zinc/58/11/76/720581176.db2.gz NJXJRGLPCXZDNU-ZRCGQRJVSA-N 2 2 405.546 3.818 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164839373 720581190 /nfs/dbraw/zinc/58/11/90/720581190.db2.gz NJXJRGLPCXZDNU-ZRCGQRJVSA-N 2 2 405.546 3.818 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750444 720813492 /nfs/dbraw/zinc/81/34/92/720813492.db2.gz VSTBHNHYIOBXLU-FUPPJEDESA-N 2 2 416.573 3.823 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750444 720813493 /nfs/dbraw/zinc/81/34/93/720813493.db2.gz VSTBHNHYIOBXLU-FUPPJEDESA-N 2 2 416.573 3.823 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758204 720888211 /nfs/dbraw/zinc/88/82/11/720888211.db2.gz XRJVXKTZNGJZBD-RCZVLFRGSA-N 2 2 422.573 3.549 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758204 720888212 /nfs/dbraw/zinc/88/82/12/720888212.db2.gz XRJVXKTZNGJZBD-RCZVLFRGSA-N 2 2 422.573 3.549 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164758614 720981628 /nfs/dbraw/zinc/98/16/28/720981628.db2.gz WRUOUHIPTULDOP-REWPJTCUSA-N 2 2 409.578 3.888 20 0 HHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164758614 720981638 /nfs/dbraw/zinc/98/16/38/720981638.db2.gz WRUOUHIPTULDOP-REWPJTCUSA-N 2 2 409.578 3.888 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c([nH+]3)CCCC4)C2)C1 ZINC001164779998 721346476 /nfs/dbraw/zinc/34/64/76/721346476.db2.gz YCVZYKPIUWVNGO-XMMPIXPASA-N 2 2 410.562 3.684 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c([nH+]3)CCCC4)C2)C1 ZINC001164779998 721346481 /nfs/dbraw/zinc/34/64/81/721346481.db2.gz YCVZYKPIUWVNGO-XMMPIXPASA-N 2 2 410.562 3.684 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164907352 721537504 /nfs/dbraw/zinc/53/75/04/721537504.db2.gz NCHJBJVZPFMPKX-AZUAARDMSA-N 2 2 423.488 3.733 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164907352 721537508 /nfs/dbraw/zinc/53/75/08/721537508.db2.gz NCHJBJVZPFMPKX-AZUAARDMSA-N 2 2 423.488 3.733 20 0 HHADLP CC(C)CN1c2ccccc2[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001165006533 722245877 /nfs/dbraw/zinc/24/58/77/722245877.db2.gz ZJTXZYZAVDQHOD-GMAHTHKFSA-N 2 2 405.590 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301251819 970833481 /nfs/dbraw/zinc/83/34/81/970833481.db2.gz QACBTDIVEWDSLS-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301251819 970833490 /nfs/dbraw/zinc/83/34/90/970833490.db2.gz QACBTDIVEWDSLS-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301251819 970833493 /nfs/dbraw/zinc/83/34/93/970833493.db2.gz QACBTDIVEWDSLS-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301251819 970833502 /nfs/dbraw/zinc/83/35/02/970833502.db2.gz QACBTDIVEWDSLS-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301843771 971083134 /nfs/dbraw/zinc/08/31/34/971083134.db2.gz LCJUMASSLYQBOP-JWTNVVGKSA-N 3 2 416.516 3.892 20 0 HHADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301843771 971083139 /nfs/dbraw/zinc/08/31/39/971083139.db2.gz LCJUMASSLYQBOP-JWTNVVGKSA-N 3 2 416.516 3.892 20 0 HHADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000302234332 971214927 /nfs/dbraw/zinc/21/49/27/971214927.db2.gz UCSHEXNTXUBHTD-JOCHJYFZSA-N 2 2 406.917 3.746 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302773578 971314270 /nfs/dbraw/zinc/31/42/70/971314270.db2.gz DFPDLIIHHGZDGT-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302773578 971314276 /nfs/dbraw/zinc/31/42/76/971314276.db2.gz DFPDLIIHHGZDGT-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302773578 971314282 /nfs/dbraw/zinc/31/42/82/971314282.db2.gz DFPDLIIHHGZDGT-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302773578 971314286 /nfs/dbraw/zinc/31/42/86/971314286.db2.gz DFPDLIIHHGZDGT-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH+]cn1 ZINC000302886484 971371941 /nfs/dbraw/zinc/37/19/41/971371941.db2.gz LJMRQFIELBNNPN-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc[nH+]1 ZINC000302886484 971371950 /nfs/dbraw/zinc/37/19/50/971371950.db2.gz LJMRQFIELBNNPN-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303025985 971463258 /nfs/dbraw/zinc/46/32/58/971463258.db2.gz OFFYJGVJUHANJJ-QHCPKHFHSA-N 2 2 408.590 3.611 20 0 HHADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303025985 971463263 /nfs/dbraw/zinc/46/32/63/971463263.db2.gz OFFYJGVJUHANJJ-QHCPKHFHSA-N 2 2 408.590 3.611 20 0 HHADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303194539 971553107 /nfs/dbraw/zinc/55/31/07/971553107.db2.gz WADFONPJJGVQBR-FQEVSTJZSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000303194539 971553114 /nfs/dbraw/zinc/55/31/14/971553114.db2.gz WADFONPJJGVQBR-FQEVSTJZSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000303501753 971800697 /nfs/dbraw/zinc/80/06/97/971800697.db2.gz VCUWRTJBJNCEOQ-HSZRJFAPSA-N 2 2 406.555 3.756 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180409 1013120315 /nfs/dbraw/zinc/12/03/15/1013120315.db2.gz UGUCBKILLQAMOX-ZRBLBEILSA-N 2 2 407.643 3.910 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180409 1013120322 /nfs/dbraw/zinc/12/03/22/1013120322.db2.gz UGUCBKILLQAMOX-ZRBLBEILSA-N 2 2 407.643 3.910 20 0 HHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553215741 1013179769 /nfs/dbraw/zinc/17/97/69/1013179769.db2.gz MTYGYLCRASVSAZ-XZOQPEGZSA-N 2 2 403.526 3.891 20 0 HHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553215741 1013179760 /nfs/dbraw/zinc/17/97/60/1013179760.db2.gz MTYGYLCRASVSAZ-XZOQPEGZSA-N 2 2 403.526 3.891 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccsc1 ZINC000542328669 1013284589 /nfs/dbraw/zinc/28/45/89/1013284589.db2.gz ZCINKJIVRFERRN-YLJYHZDGSA-N 2 2 400.592 3.974 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+](C)C ZINC000542335927 1013293872 /nfs/dbraw/zinc/29/38/72/1013293872.db2.gz KUHIBGCBQFQBJP-SIKLNZKXSA-N 2 2 424.589 3.921 20 0 HHADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000016339309 963019567 /nfs/dbraw/zinc/01/95/67/963019567.db2.gz PFALOUXHCFSYBX-RDPSFJRHSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000016339309 963019570 /nfs/dbraw/zinc/01/95/70/963019570.db2.gz PFALOUXHCFSYBX-RDPSFJRHSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)c1 ZINC000023480235 963832571 /nfs/dbraw/zinc/83/25/71/963832571.db2.gz FASPOJCEVBBKKM-UHFFFAOYSA-N 2 2 406.530 3.742 20 0 HHADLP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3CCN(c4cccc(C)c4)CC3)c(C)n2n1 ZINC000537880209 1013459174 /nfs/dbraw/zinc/45/91/74/1013459174.db2.gz YVPUUOFGMYMKMI-FQEVSTJZSA-N 2 2 406.578 3.517 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529994 1013473163 /nfs/dbraw/zinc/47/31/63/1013473163.db2.gz BCAXDPBEPUYYRO-NVXWUHKLSA-N 2 2 421.607 3.723 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529994 1013473170 /nfs/dbraw/zinc/47/31/70/1013473170.db2.gz BCAXDPBEPUYYRO-NVXWUHKLSA-N 2 2 421.607 3.723 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000050254788 964296285 /nfs/dbraw/zinc/29/62/85/964296285.db2.gz RWDOFQYOSHTUSC-UHFFFAOYSA-N 2 2 400.514 3.550 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccnc3Sc3ccccc3)CC2)CC1 ZINC000050799388 964399691 /nfs/dbraw/zinc/39/96/91/964399691.db2.gz HSVNLPBVZIBMDM-UHFFFAOYSA-N 2 2 410.587 3.521 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3-c3ccc(F)cc3)CC2)CC1 ZINC000050797299 964399962 /nfs/dbraw/zinc/39/99/62/964399962.db2.gz WDDLRPSJDOLXGA-UHFFFAOYSA-N 2 2 401.551 3.843 20 0 HHADLP CC(C)Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050798283 964400064 /nfs/dbraw/zinc/40/00/64/964400064.db2.gz GAPLIYBCALAEEV-UHFFFAOYSA-N 2 2 413.606 3.523 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(Cl)c4ccccc34)CC2)CC1 ZINC000050801279 964401620 /nfs/dbraw/zinc/40/16/20/964401620.db2.gz GRSZCLOYFJUQQP-UHFFFAOYSA-N 2 2 415.965 3.547 20 0 HHADLP COc1ccc2cc([C@H](C)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000050801667 964401768 /nfs/dbraw/zinc/40/17/68/964401768.db2.gz WXAZYPBEEYYOMK-SFHVURJKSA-N 2 2 409.574 3.627 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccccc4Cl)o3)CC2)CC1 ZINC000050800700 964402148 /nfs/dbraw/zinc/40/21/48/964402148.db2.gz ZXTABUYWNUBGOG-UHFFFAOYSA-N 2 2 401.938 3.888 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000050800769 964402244 /nfs/dbraw/zinc/40/22/44/964402244.db2.gz PVIRQAADFMHPGO-UHFFFAOYSA-N 2 2 413.537 3.693 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1C ZINC000051645554 964648195 /nfs/dbraw/zinc/64/81/95/964648195.db2.gz NNPSGYMIFAOBKR-UHFFFAOYSA-N 2 2 400.548 3.578 20 0 HHADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)on1 ZINC000052009625 964771711 /nfs/dbraw/zinc/77/17/11/964771711.db2.gz QZMWRZYIUPAYRN-HSZRJFAPSA-N 2 2 418.541 3.618 20 0 HHADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)on1 ZINC000052009625 964771718 /nfs/dbraw/zinc/77/17/18/964771718.db2.gz QZMWRZYIUPAYRN-HSZRJFAPSA-N 2 2 418.541 3.618 20 0 HHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537952944 1013533808 /nfs/dbraw/zinc/53/38/08/1013533808.db2.gz ZESMYVHEVSWGLF-AUSIDOKSSA-N 2 2 424.589 3.815 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058808062 965912337 /nfs/dbraw/zinc/91/23/37/965912337.db2.gz UZRNEAAWOAWIGF-RZUBCFFCSA-N 2 2 403.636 3.651 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058808062 965912345 /nfs/dbraw/zinc/91/23/45/965912345.db2.gz UZRNEAAWOAWIGF-RZUBCFFCSA-N 2 2 403.636 3.651 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056259 1013632717 /nfs/dbraw/zinc/63/27/17/1013632717.db2.gz KXYAJJLHQJPPHR-KCUCZHLASA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056259 1013632725 /nfs/dbraw/zinc/63/27/25/1013632725.db2.gz KXYAJJLHQJPPHR-KCUCZHLASA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056259 1013632731 /nfs/dbraw/zinc/63/27/31/1013632731.db2.gz KXYAJJLHQJPPHR-KCUCZHLASA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056259 1013632740 /nfs/dbraw/zinc/63/27/40/1013632740.db2.gz KXYAJJLHQJPPHR-KCUCZHLASA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054550 1013629829 /nfs/dbraw/zinc/62/98/29/1013629829.db2.gz XDRAZLVKTSALFD-NHCUHLMSSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054550 1013629832 /nfs/dbraw/zinc/62/98/32/1013629832.db2.gz XDRAZLVKTSALFD-NHCUHLMSSA-N 2 2 422.976 3.788 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000060532087 966193555 /nfs/dbraw/zinc/19/35/55/966193555.db2.gz SHTYJSAPBKJCCJ-GOSISDBHSA-N 2 2 402.564 3.747 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCCC2)cc1 ZINC000060603233 966225949 /nfs/dbraw/zinc/22/59/49/966225949.db2.gz NMWPLUZIUYUSHU-DEOSSOPVSA-N 2 2 418.541 3.897 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000061868751 966568777 /nfs/dbraw/zinc/56/87/77/966568777.db2.gz WAJGYYXDYDQFQF-HXUWFJFHSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000061868751 966568785 /nfs/dbraw/zinc/56/87/85/966568785.db2.gz WAJGYYXDYDQFQF-HXUWFJFHSA-N 2 2 421.589 3.782 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000062502911 966693629 /nfs/dbraw/zinc/69/36/29/966693629.db2.gz BKCYYQHMPFTKOI-UHFFFAOYSA-N 2 2 411.937 3.799 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000553882058 1013673901 /nfs/dbraw/zinc/67/39/01/1013673901.db2.gz QHBIFZSWVRJTIR-DHIUTWEWSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000553882058 1013673906 /nfs/dbraw/zinc/67/39/06/1013673906.db2.gz QHBIFZSWVRJTIR-DHIUTWEWSA-N 2 2 408.590 3.637 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000538119173 1013680762 /nfs/dbraw/zinc/68/07/62/1013680762.db2.gz XMZOFWXQBOUJRI-JOCHJYFZSA-N 2 2 415.541 3.635 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000538119173 1013680767 /nfs/dbraw/zinc/68/07/67/1013680767.db2.gz XMZOFWXQBOUJRI-JOCHJYFZSA-N 2 2 415.541 3.635 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463947 966866475 /nfs/dbraw/zinc/86/64/75/966866475.db2.gz NEQFFKPGCNCXNY-JOCHJYFZSA-N 2 2 417.557 3.643 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463947 966866481 /nfs/dbraw/zinc/86/64/81/966866481.db2.gz NEQFFKPGCNCXNY-JOCHJYFZSA-N 2 2 417.557 3.643 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136441 966913226 /nfs/dbraw/zinc/91/32/26/966913226.db2.gz WKAQSHMNHRSYTH-NRFANRHFSA-N 2 2 407.518 3.551 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045184703 967373905 /nfs/dbraw/zinc/37/39/05/967373905.db2.gz XGJZFOZYQTWOCP-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000065304238 967433294 /nfs/dbraw/zinc/43/32/94/967433294.db2.gz LIGLCWBXUOQKCY-JOCHJYFZSA-N 2 2 410.562 3.979 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047884155 968352068 /nfs/dbraw/zinc/35/20/68/968352068.db2.gz LVNOSQAGUDDEDU-IBGZPJMESA-N 2 2 410.965 3.788 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047948355 968375497 /nfs/dbraw/zinc/37/54/97/968375497.db2.gz SLZBXXYUFSIZOC-HSZRJFAPSA-N 2 2 405.546 3.814 20 0 HHADLP Cc1ccccc1[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000538258708 1013799883 /nfs/dbraw/zinc/79/98/83/1013799883.db2.gz CWVUGLZMJSMNTL-RUZDIDTESA-N 2 2 423.601 3.820 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000048507109 968581454 /nfs/dbraw/zinc/58/14/54/968581454.db2.gz UQDZHVAZDIGFSQ-JOCHJYFZSA-N 2 2 411.594 3.530 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000072051997 968960623 /nfs/dbraw/zinc/96/06/23/968960623.db2.gz YBXAHGRJSNAZCD-SFTDATJTSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000072051997 968960631 /nfs/dbraw/zinc/96/06/31/968960631.db2.gz YBXAHGRJSNAZCD-SFTDATJTSA-N 2 2 410.606 3.659 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072071926 968972117 /nfs/dbraw/zinc/97/21/17/968972117.db2.gz URIKSVGOLBOUMG-KGVIQGDOSA-N 2 2 419.635 3.616 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072071926 968972123 /nfs/dbraw/zinc/97/21/23/968972123.db2.gz URIKSVGOLBOUMG-KGVIQGDOSA-N 2 2 419.635 3.616 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000096626749 969049395 /nfs/dbraw/zinc/04/93/95/969049395.db2.gz IAMOCBRNMOLJIN-NRFANRHFSA-N 2 2 411.521 3.509 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000096626749 969049403 /nfs/dbraw/zinc/04/94/03/969049403.db2.gz IAMOCBRNMOLJIN-NRFANRHFSA-N 2 2 411.521 3.509 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000107509986 969310025 /nfs/dbraw/zinc/31/00/25/969310025.db2.gz QCCPZBAWKSKULI-UHFFFAOYSA-N 2 2 411.550 3.724 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000107834614 969338372 /nfs/dbraw/zinc/33/83/72/969338372.db2.gz GQFRXGFAEUTZOK-OAQYLSRUSA-N 2 2 400.592 3.658 20 0 HHADLP CC(C)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCCCCC1 ZINC000107938934 969346531 /nfs/dbraw/zinc/34/65/31/969346531.db2.gz GMPCXOWLHCQZBI-NRFANRHFSA-N 2 2 401.599 3.772 20 0 HHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109546437 969530802 /nfs/dbraw/zinc/53/08/02/969530802.db2.gz VIKFREQFUDGRBU-OAHLLOKOSA-N 2 2 414.377 3.755 20 0 HHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000109699165 969550651 /nfs/dbraw/zinc/55/06/51/969550651.db2.gz BAJZDFHRNUCBDY-UHFFFAOYSA-N 2 2 401.551 3.835 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000109699165 969550656 /nfs/dbraw/zinc/55/06/56/969550656.db2.gz BAJZDFHRNUCBDY-UHFFFAOYSA-N 2 2 401.551 3.835 20 0 HHADLP O[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[N@@H+]1CCc2ccccc2C1 ZINC000110462120 969672310 /nfs/dbraw/zinc/67/23/10/969672310.db2.gz WXRMDMPNYQMWAB-HXUWFJFHSA-N 2 2 419.352 3.778 20 0 HHADLP O[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C[N@H+]1CCc2ccccc2C1 ZINC000110462120 969672314 /nfs/dbraw/zinc/67/23/14/969672314.db2.gz WXRMDMPNYQMWAB-HXUWFJFHSA-N 2 2 419.352 3.778 20 0 HHADLP CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112681685 969824440 /nfs/dbraw/zinc/82/44/40/969824440.db2.gz FBWFGHXKUPNEPP-UHFFFAOYSA-N 2 2 416.488 3.594 20 0 HHADLP CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112681685 969824444 /nfs/dbraw/zinc/82/44/44/969824444.db2.gz FBWFGHXKUPNEPP-UHFFFAOYSA-N 2 2 416.488 3.594 20 0 HHADLP FC(F)(F)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000554364144 1013922353 /nfs/dbraw/zinc/92/23/53/1013922353.db2.gz RVMBLFQMDRCKSD-SJLPKXTDSA-N 2 2 405.892 3.552 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C4SCCS4)c3)CC2)CC1 ZINC000215989031 970059623 /nfs/dbraw/zinc/05/96/23/970059623.db2.gz ZCQFMYOAPGJILQ-UHFFFAOYSA-N 2 2 420.648 3.845 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000228402692 970124602 /nfs/dbraw/zinc/12/46/02/970124602.db2.gz YBXAHGRJSNAZCD-RTWAWAEBSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000228402692 970124610 /nfs/dbraw/zinc/12/46/10/970124610.db2.gz YBXAHGRJSNAZCD-RTWAWAEBSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554444323 1013951649 /nfs/dbraw/zinc/95/16/49/1013951649.db2.gz GDTZPLBOMZRMHO-YDHSSHFGSA-N 2 2 410.562 3.893 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236623564 970148107 /nfs/dbraw/zinc/14/81/07/970148107.db2.gz XXQGHENHLUVLTR-FQEVSTJZSA-N 2 2 415.965 3.775 20 0 HHADLP COCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000237126155 970227327 /nfs/dbraw/zinc/22/73/27/970227327.db2.gz ILVSKXUHKPCTBP-UHFFFAOYSA-N 2 2 401.938 3.793 20 0 HHADLP COc1cc(OC)c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000237332125 970265181 /nfs/dbraw/zinc/26/51/81/970265181.db2.gz BPVMOIKALCHIHS-HDICACEKSA-N 2 2 414.546 3.611 20 0 HHADLP COc1cc(OC)c(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000237332125 970265184 /nfs/dbraw/zinc/26/51/84/970265184.db2.gz BPVMOIKALCHIHS-HDICACEKSA-N 2 2 414.546 3.611 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000554536928 1013973509 /nfs/dbraw/zinc/97/35/09/1013973509.db2.gz JFRXKYZJTXUUTQ-HXUWFJFHSA-N 2 2 407.562 3.545 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237579773 970316012 /nfs/dbraw/zinc/31/60/12/970316012.db2.gz ZNRSDVWJUZZRRK-LJQANCHMSA-N 2 2 403.530 3.979 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000149026419 970380036 /nfs/dbraw/zinc/38/00/36/970380036.db2.gz NJAVZEZSTUJABY-GOSISDBHSA-N 2 2 418.632 3.549 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000149026419 970380045 /nfs/dbraw/zinc/38/00/45/970380045.db2.gz NJAVZEZSTUJABY-GOSISDBHSA-N 2 2 418.632 3.549 20 0 HHADLP O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1)C[NH+]1CCCC1 ZINC000238062831 970431596 /nfs/dbraw/zinc/43/15/96/970431596.db2.gz FNDJWLALUKKUDG-IBGZPJMESA-N 2 2 419.363 3.574 20 0 HHADLP COC(=O)c1ccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000554678363 1014009407 /nfs/dbraw/zinc/00/94/07/1014009407.db2.gz BRNNECITPBZTDA-UHFFFAOYSA-N 2 2 405.926 3.894 20 0 HHADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000261464430 970702250 /nfs/dbraw/zinc/70/22/50/970702250.db2.gz RNBJSGVZBVVGRS-QFIPXVFZSA-N 2 2 401.595 3.642 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000303970492 972557939 /nfs/dbraw/zinc/55/79/39/972557939.db2.gz SHXNUNAVZLSZTC-DLBZAZTESA-N 2 2 407.961 3.649 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000303973968 972560205 /nfs/dbraw/zinc/56/02/05/972560205.db2.gz UUZYSMZDNQJREI-WOJBJXKFSA-N 2 2 423.523 3.875 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000303973965 972560258 /nfs/dbraw/zinc/56/02/58/972560258.db2.gz UUZYSMZDNQJREI-PMACEKPBSA-N 2 2 423.523 3.875 20 0 HHADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554841601 1014071179 /nfs/dbraw/zinc/07/11/79/1014071179.db2.gz JQOLTPDUPCLECZ-XMMPIXPASA-N 2 2 423.601 3.730 20 0 HHADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554841601 1014071183 /nfs/dbraw/zinc/07/11/83/1014071183.db2.gz JQOLTPDUPCLECZ-XMMPIXPASA-N 2 2 423.601 3.730 20 0 HHADLP C[C@@H](Oc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000409558780 973012516 /nfs/dbraw/zinc/01/25/16/973012516.db2.gz ZIORZEBQOMUFER-HXUWFJFHSA-N 2 2 409.574 3.925 20 0 HHADLP C[C@@H](Oc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000409558780 973012530 /nfs/dbraw/zinc/01/25/30/973012530.db2.gz ZIORZEBQOMUFER-HXUWFJFHSA-N 2 2 409.574 3.925 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630666 973076577 /nfs/dbraw/zinc/07/65/77/973076577.db2.gz KSXIMJJSLZUPRS-FGZHOGPDSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630666 973076587 /nfs/dbraw/zinc/07/65/87/973076587.db2.gz KSXIMJJSLZUPRS-FGZHOGPDSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410306320 973846292 /nfs/dbraw/zinc/84/62/92/973846292.db2.gz JZRHHWIDMWQLOE-QFIPXVFZSA-N 2 2 406.574 3.838 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426249611 974343914 /nfs/dbraw/zinc/34/39/14/974343914.db2.gz QOFFHPSVPGBEBM-NHTMILBNSA-N 2 2 415.541 3.685 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426249611 974343918 /nfs/dbraw/zinc/34/39/18/974343918.db2.gz QOFFHPSVPGBEBM-NHTMILBNSA-N 2 2 415.541 3.685 20 0 HHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000426350477 974409525 /nfs/dbraw/zinc/40/95/25/974409525.db2.gz FUXPWTRGKQTKNT-CTUHWIOQSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000426350477 974409526 /nfs/dbraw/zinc/40/95/26/974409526.db2.gz FUXPWTRGKQTKNT-CTUHWIOQSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1Cl ZINC000426740344 974627412 /nfs/dbraw/zinc/62/74/12/974627412.db2.gz HITGJTRCGVZHDU-OAHLLOKOSA-N 2 2 407.345 3.778 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(F)c1 ZINC000426788366 974660082 /nfs/dbraw/zinc/66/00/82/974660082.db2.gz MMKQYJQGNVNXJP-QRVBRYPASA-N 2 2 405.558 3.672 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847365 975319490 /nfs/dbraw/zinc/31/94/90/975319490.db2.gz AATSFDOZPKKIIP-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847365 975319496 /nfs/dbraw/zinc/31/94/96/975319496.db2.gz AATSFDOZPKKIIP-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000428240129 975556699 /nfs/dbraw/zinc/55/66/99/975556699.db2.gz CKKFBENSVGVRAM-FQEVSTJZSA-N 2 2 402.420 3.999 20 0 HHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000428240129 975556706 /nfs/dbraw/zinc/55/67/06/975556706.db2.gz CKKFBENSVGVRAM-FQEVSTJZSA-N 2 2 402.420 3.999 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428427899 975742420 /nfs/dbraw/zinc/74/24/20/975742420.db2.gz SVGMRFPCBPWZET-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428427899 975742431 /nfs/dbraw/zinc/74/24/31/975742431.db2.gz SVGMRFPCBPWZET-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428427899 975742434 /nfs/dbraw/zinc/74/24/34/975742434.db2.gz SVGMRFPCBPWZET-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428427899 975742442 /nfs/dbraw/zinc/74/24/42/975742442.db2.gz SVGMRFPCBPWZET-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP CCOc1c(Cl)cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428429469 975743557 /nfs/dbraw/zinc/74/35/57/975743557.db2.gz DJWUPTCAZSGRQE-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428429469 975743562 /nfs/dbraw/zinc/74/35/62/975743562.db2.gz DJWUPTCAZSGRQE-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000428429469 975743564 /nfs/dbraw/zinc/74/35/64/975743564.db2.gz DJWUPTCAZSGRQE-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428429469 975743569 /nfs/dbraw/zinc/74/35/69/975743569.db2.gz DJWUPTCAZSGRQE-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428757203 976029668 /nfs/dbraw/zinc/02/96/68/976029668.db2.gz INBZPVNFHSVYQO-IBGZPJMESA-N 2 2 409.578 3.793 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428757203 976029680 /nfs/dbraw/zinc/02/96/80/976029680.db2.gz INBZPVNFHSVYQO-IBGZPJMESA-N 2 2 409.578 3.793 20 0 HHADLP CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000429149209 976437669 /nfs/dbraw/zinc/43/76/69/976437669.db2.gz FRCSRPCYGLCDCT-UHFFFAOYSA-N 2 2 409.559 3.650 20 0 HHADLP CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000429149209 976437675 /nfs/dbraw/zinc/43/76/75/976437675.db2.gz FRCSRPCYGLCDCT-UHFFFAOYSA-N 2 2 409.559 3.650 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429427849 976705793 /nfs/dbraw/zinc/70/57/93/976705793.db2.gz INLDEJOVGKJIST-HEGQMBHGSA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429427849 976705799 /nfs/dbraw/zinc/70/57/99/976705799.db2.gz INLDEJOVGKJIST-HEGQMBHGSA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439656 976718232 /nfs/dbraw/zinc/71/82/32/976718232.db2.gz FMYDQOSZZHNNNW-BWKNWUBXSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439656 976718239 /nfs/dbraw/zinc/71/82/39/976718239.db2.gz FMYDQOSZZHNNNW-BWKNWUBXSA-N 3 2 411.590 3.569 20 0 HHADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429451954 976727972 /nfs/dbraw/zinc/72/79/72/976727972.db2.gz YPZQZUDFHUDEMJ-BJKOFHAPSA-N 2 2 400.538 3.654 20 0 HHADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429451954 976727979 /nfs/dbraw/zinc/72/79/79/976727979.db2.gz YPZQZUDFHUDEMJ-BJKOFHAPSA-N 2 2 400.538 3.654 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000429500788 976756290 /nfs/dbraw/zinc/75/62/90/976756290.db2.gz GOQDTHNKSADEDN-LEWJYISDSA-N 2 2 409.578 3.772 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000429611114 976895369 /nfs/dbraw/zinc/89/53/69/976895369.db2.gz NGXTXKBNMNNRQG-UHFFFAOYSA-N 2 2 411.550 3.748 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804833 977079873 /nfs/dbraw/zinc/07/98/73/977079873.db2.gz UMVFCBNHAGITFT-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804833 977079881 /nfs/dbraw/zinc/07/98/81/977079881.db2.gz UMVFCBNHAGITFT-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804833 977079890 /nfs/dbraw/zinc/07/98/90/977079890.db2.gz UMVFCBNHAGITFT-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804833 977079898 /nfs/dbraw/zinc/07/98/98/977079898.db2.gz UMVFCBNHAGITFT-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814231 977087383 /nfs/dbraw/zinc/08/73/83/977087383.db2.gz KYBFEAJEKSCROW-YNJKOYDBSA-N 2 2 405.586 3.823 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814231 977087391 /nfs/dbraw/zinc/08/73/91/977087391.db2.gz KYBFEAJEKSCROW-YNJKOYDBSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814231 977087407 /nfs/dbraw/zinc/08/74/07/977087407.db2.gz KYBFEAJEKSCROW-YNJKOYDBSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814231 977087419 /nfs/dbraw/zinc/08/74/19/977087419.db2.gz KYBFEAJEKSCROW-YNJKOYDBSA-N 2 2 405.586 3.823 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814545 977087884 /nfs/dbraw/zinc/08/78/84/977087884.db2.gz MHKLXOJOKYFEEV-JXFKEZNVSA-N 2 2 411.512 3.859 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814545 977087895 /nfs/dbraw/zinc/08/78/95/977087895.db2.gz MHKLXOJOKYFEEV-JXFKEZNVSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814545 977087905 /nfs/dbraw/zinc/08/79/05/977087905.db2.gz MHKLXOJOKYFEEV-JXFKEZNVSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814545 977087912 /nfs/dbraw/zinc/08/79/12/977087912.db2.gz MHKLXOJOKYFEEV-JXFKEZNVSA-N 2 2 411.512 3.859 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000430235392 977409289 /nfs/dbraw/zinc/40/92/89/977409289.db2.gz DICVXHARSKELBX-XMMPIXPASA-N 2 2 410.562 3.903 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000430235392 977409298 /nfs/dbraw/zinc/40/92/98/977409298.db2.gz DICVXHARSKELBX-XMMPIXPASA-N 2 2 410.562 3.903 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000431569240 978363494 /nfs/dbraw/zinc/36/34/94/978363494.db2.gz DNUZDRFFEQYREO-JOCHJYFZSA-N 2 2 403.636 3.651 20 0 HHADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000431800106 978522675 /nfs/dbraw/zinc/52/26/75/978522675.db2.gz KFTUGCGGANBLFU-UHFFFAOYSA-N 2 2 423.561 3.534 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909359 978593429 /nfs/dbraw/zinc/59/34/29/978593429.db2.gz MYVVFSQTURYMPZ-JRFVFWCSSA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909359 978593433 /nfs/dbraw/zinc/59/34/33/978593433.db2.gz MYVVFSQTURYMPZ-JRFVFWCSSA-N 2 2 413.606 3.521 20 0 HHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CCCO1 ZINC000432364688 978779197 /nfs/dbraw/zinc/77/91/97/978779197.db2.gz LCRTWEBQLLEKCM-ZDUSSCGKSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CCCO1 ZINC000432364688 978779201 /nfs/dbraw/zinc/77/92/01/978779201.db2.gz LCRTWEBQLLEKCM-ZDUSSCGKSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671078 978931166 /nfs/dbraw/zinc/93/11/66/978931166.db2.gz PXTPUSHCDLGGBN-SLFFLAALSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671078 978931170 /nfs/dbraw/zinc/93/11/70/978931170.db2.gz PXTPUSHCDLGGBN-SLFFLAALSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671078 978931173 /nfs/dbraw/zinc/93/11/73/978931173.db2.gz PXTPUSHCDLGGBN-SLFFLAALSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671078 978931175 /nfs/dbraw/zinc/93/11/75/978931175.db2.gz PXTPUSHCDLGGBN-SLFFLAALSA-N 2 2 414.594 3.634 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)CC1 ZINC000432743508 978955725 /nfs/dbraw/zinc/95/57/25/978955725.db2.gz VSEXDOCBMTUIBU-UHFFFAOYSA-N 2 2 404.407 3.821 20 0 HHADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433244164 979174774 /nfs/dbraw/zinc/17/47/74/979174774.db2.gz JLZKGFIEYREZQM-UHFFFAOYSA-N 2 2 403.929 3.823 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433244164 979174776 /nfs/dbraw/zinc/17/47/76/979174776.db2.gz JLZKGFIEYREZQM-UHFFFAOYSA-N 2 2 403.929 3.823 20 0 HHADLP CC(C)[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000433781940 979568556 /nfs/dbraw/zinc/56/85/56/979568556.db2.gz GMTGTYOBUBVEAY-UTKZUKDTSA-N 2 2 400.954 3.759 20 0 HHADLP CC(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000433781936 979568905 /nfs/dbraw/zinc/56/89/05/979568905.db2.gz GMTGTYOBUBVEAY-DYESRHJHSA-N 2 2 400.954 3.759 20 0 HHADLP CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000433781938 979568952 /nfs/dbraw/zinc/56/89/52/979568952.db2.gz GMTGTYOBUBVEAY-LAUBAEHRSA-N 2 2 400.954 3.759 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000434268489 980030536 /nfs/dbraw/zinc/03/05/36/980030536.db2.gz CLEABJBOHZEHBE-UHFFFAOYSA-N 2 2 414.981 3.864 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000434268489 980030542 /nfs/dbraw/zinc/03/05/42/980030542.db2.gz CLEABJBOHZEHBE-UHFFFAOYSA-N 2 2 414.981 3.864 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434282805 980042935 /nfs/dbraw/zinc/04/29/35/980042935.db2.gz NDKJTGFYCVGRKK-FQEVSTJZSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434282805 980042948 /nfs/dbraw/zinc/04/29/48/980042948.db2.gz NDKJTGFYCVGRKK-FQEVSTJZSA-N 2 2 401.599 3.619 20 0 HHADLP COc1cc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)cc1Cl ZINC000434656901 980323864 /nfs/dbraw/zinc/32/38/64/980323864.db2.gz OFLHYQYGUUOAFP-UHFFFAOYSA-N 2 2 409.958 3.636 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cs2)cc1 ZINC000434670434 980330894 /nfs/dbraw/zinc/33/08/94/980330894.db2.gz CHFYFSVPZNLRJM-UHFFFAOYSA-N 2 2 421.570 3.821 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677692 980334426 /nfs/dbraw/zinc/33/44/26/980334426.db2.gz XTXOOSFXVGMPDV-GOSISDBHSA-N 2 2 419.573 3.628 20 0 HHADLP COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c2c1 ZINC000434685802 980338595 /nfs/dbraw/zinc/33/85/95/980338595.db2.gz RTYSKHLAXBZOCM-UHFFFAOYSA-N 2 2 420.513 3.550 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690752 980343026 /nfs/dbraw/zinc/34/30/26/980343026.db2.gz JVMPITAYFDXYFT-GOSISDBHSA-N 2 2 410.562 3.627 20 0 HHADLP Fc1ccc(-n2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nn2)c(Cl)c1 ZINC000435059123 980603776 /nfs/dbraw/zinc/60/37/76/980603776.db2.gz PACYVGMJUXSVGB-UHFFFAOYSA-N 2 2 414.916 3.972 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000436249290 981268583 /nfs/dbraw/zinc/26/85/83/981268583.db2.gz CGCDVYOYXKTMDV-LZBANZJXSA-N 2 2 417.553 3.848 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000436249290 981268587 /nfs/dbraw/zinc/26/85/87/981268587.db2.gz CGCDVYOYXKTMDV-LZBANZJXSA-N 2 2 417.553 3.848 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235346 981644902 /nfs/dbraw/zinc/64/49/02/981644902.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235346 981644906 /nfs/dbraw/zinc/64/49/06/981644906.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235346 981644913 /nfs/dbraw/zinc/64/49/13/981644913.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235346 981644919 /nfs/dbraw/zinc/64/49/19/981644919.db2.gz WQGQQZNRUWGTQA-HLIPFELVSA-N 2 2 417.623 3.856 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000437068079 981740226 /nfs/dbraw/zinc/74/02/26/981740226.db2.gz GQUNNPPPSQXXST-GBXCKJPGSA-N 2 2 412.622 3.806 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000448473871 981815992 /nfs/dbraw/zinc/81/59/92/981815992.db2.gz NVMKMYCWPICQQF-UEVCKROQSA-N 2 2 409.578 3.779 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000448473871 981816003 /nfs/dbraw/zinc/81/60/03/981816003.db2.gz NVMKMYCWPICQQF-UEVCKROQSA-N 2 2 409.578 3.779 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCCOc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000460478502 982271179 /nfs/dbraw/zinc/27/11/79/982271179.db2.gz FSDZWSCMEILJGD-UHFFFAOYSA-N 2 2 407.986 3.566 20 0 HHADLP Cc1nc(-c2ccccc2)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000460506508 982295564 /nfs/dbraw/zinc/29/55/64/982295564.db2.gz FNAMSBRCNGJLHL-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460507469 982296445 /nfs/dbraw/zinc/29/64/45/982296445.db2.gz LKMKCZGONLCYFN-FQEVSTJZSA-N 2 2 415.622 3.818 20 0 HHADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2n1 ZINC000437691829 982300151 /nfs/dbraw/zinc/30/01/51/982300151.db2.gz NCHQEISQTLBINZ-HSZRJFAPSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2n1 ZINC000437691829 982300161 /nfs/dbraw/zinc/30/01/61/982300161.db2.gz NCHQEISQTLBINZ-HSZRJFAPSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000437918900 982462485 /nfs/dbraw/zinc/46/24/85/982462485.db2.gz XOBUAZALRGCRSC-FQEVSTJZSA-N 2 2 403.958 3.714 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000438443416 982796158 /nfs/dbraw/zinc/79/61/58/982796158.db2.gz LNZUPMGGXXJVLO-WMIMKTLMSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438443416 982796160 /nfs/dbraw/zinc/79/61/60/982796160.db2.gz LNZUPMGGXXJVLO-WMIMKTLMSA-N 2 2 412.622 3.911 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422163 983085529 /nfs/dbraw/zinc/08/55/29/983085529.db2.gz DSHYXDUFEBQMAA-RTBURBONSA-N 2 2 424.495 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422163 983085536 /nfs/dbraw/zinc/08/55/36/983085536.db2.gz DSHYXDUFEBQMAA-RTBURBONSA-N 2 2 424.495 3.603 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000439089167 983245602 /nfs/dbraw/zinc/24/56/02/983245602.db2.gz RURYJXWCCXEIHM-LJQANCHMSA-N 2 2 410.562 3.517 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000439649540 983483496 /nfs/dbraw/zinc/48/34/96/983483496.db2.gz PTHUQNXWOWMGIK-INIZCTEOSA-N 2 2 414.575 3.790 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000439994916 983610135 /nfs/dbraw/zinc/61/01/35/983610135.db2.gz PLGYTPHBAMFQKL-HSZRJFAPSA-N 2 2 402.542 3.606 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000439994916 983610139 /nfs/dbraw/zinc/61/01/39/983610139.db2.gz PLGYTPHBAMFQKL-HSZRJFAPSA-N 2 2 402.542 3.606 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000440815784 983918690 /nfs/dbraw/zinc/91/86/90/983918690.db2.gz ABWGHLFKGQDEPJ-LEWJYISDSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876601 983947012 /nfs/dbraw/zinc/94/70/12/983947012.db2.gz RLPSNZDEIQBAIS-GMAHTHKFSA-N 2 2 409.578 3.805 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876601 983947013 /nfs/dbraw/zinc/94/70/13/983947013.db2.gz RLPSNZDEIQBAIS-GMAHTHKFSA-N 2 2 409.578 3.805 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000441214327 984119219 /nfs/dbraw/zinc/11/92/19/984119219.db2.gz XTFQJDHNYYKGHU-FQEVSTJZSA-N 2 2 424.589 3.563 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000441214327 984119222 /nfs/dbraw/zinc/11/92/22/984119222.db2.gz XTFQJDHNYYKGHU-FQEVSTJZSA-N 2 2 424.589 3.563 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000441374994 984217496 /nfs/dbraw/zinc/21/74/96/984217496.db2.gz HEOJYWYRNRRCEO-CVDCTZTESA-N 2 2 408.521 3.717 20 0 HHADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378853 984218885 /nfs/dbraw/zinc/21/88/85/984218885.db2.gz NDRBIORBDXUJLT-URXFXBBRSA-N 2 2 420.557 3.723 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)c(C)c1 ZINC000441387892 984224596 /nfs/dbraw/zinc/22/45/96/984224596.db2.gz SPXNNAZSVSQNBK-RXVVDRJESA-N 2 2 405.502 3.568 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405017 984234981 /nfs/dbraw/zinc/23/49/81/984234981.db2.gz JQHCTGAOTGDKFY-ZLGUVYLKSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405017 984234986 /nfs/dbraw/zinc/23/49/86/984234986.db2.gz JQHCTGAOTGDKFY-ZLGUVYLKSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405017 984234991 /nfs/dbraw/zinc/23/49/91/984234991.db2.gz JQHCTGAOTGDKFY-ZLGUVYLKSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405017 984234995 /nfs/dbraw/zinc/23/49/95/984234995.db2.gz JQHCTGAOTGDKFY-ZLGUVYLKSA-N 2 2 419.516 3.732 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408147 984235809 /nfs/dbraw/zinc/23/58/09/984235809.db2.gz WGYPUZKHIBAVMY-APWZRJJASA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408147 984235814 /nfs/dbraw/zinc/23/58/14/984235814.db2.gz WGYPUZKHIBAVMY-APWZRJJASA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408147 984235821 /nfs/dbraw/zinc/23/58/21/984235821.db2.gz WGYPUZKHIBAVMY-APWZRJJASA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408147 984235831 /nfs/dbraw/zinc/23/58/31/984235831.db2.gz WGYPUZKHIBAVMY-APWZRJJASA-N 2 2 410.389 3.601 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441421683 984242332 /nfs/dbraw/zinc/24/23/32/984242332.db2.gz YSTXEXBVEHKUCC-VJTSUQJLSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441421683 984242335 /nfs/dbraw/zinc/24/23/35/984242335.db2.gz YSTXEXBVEHKUCC-VJTSUQJLSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441421683 984242340 /nfs/dbraw/zinc/24/23/40/984242340.db2.gz YSTXEXBVEHKUCC-VJTSUQJLSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441421683 984242348 /nfs/dbraw/zinc/24/23/48/984242348.db2.gz YSTXEXBVEHKUCC-VJTSUQJLSA-N 2 2 403.570 3.993 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461734334 984747834 /nfs/dbraw/zinc/74/78/34/984747834.db2.gz YZZMMKCDIFIGGZ-VEXUSMLFSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461734334 984747837 /nfs/dbraw/zinc/74/78/37/984747837.db2.gz YZZMMKCDIFIGGZ-VEXUSMLFSA-N 2 2 417.557 3.931 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1Cl ZINC000461748808 984757938 /nfs/dbraw/zinc/75/79/38/984757938.db2.gz SIGRCVMOMKDQAA-HXUWFJFHSA-N 2 2 404.942 3.737 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000442244973 984766947 /nfs/dbraw/zinc/76/69/47/984766947.db2.gz VSVFOCPHBWXBCC-QHCPKHFHSA-N 2 2 409.578 3.901 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443070077 985360453 /nfs/dbraw/zinc/36/04/53/985360453.db2.gz QHWKZQYGEXXJHS-IBGZPJMESA-N 2 2 405.546 3.681 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443070077 985360467 /nfs/dbraw/zinc/36/04/67/985360467.db2.gz QHWKZQYGEXXJHS-IBGZPJMESA-N 2 2 405.546 3.681 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000462513793 985464308 /nfs/dbraw/zinc/46/43/08/985464308.db2.gz ACFONTFEPYJWFS-UGKGYDQZSA-N 2 2 412.603 3.973 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1c1ccc(F)c(F)c1 ZINC000462585920 985531792 /nfs/dbraw/zinc/53/17/92/985531792.db2.gz BMRGPMAPHJBCCM-CTNGQTDRSA-N 2 2 418.488 3.502 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1c1ccc(F)c(F)c1 ZINC000462585920 985531801 /nfs/dbraw/zinc/53/18/01/985531801.db2.gz BMRGPMAPHJBCCM-CTNGQTDRSA-N 2 2 418.488 3.502 20 0 HHADLP CC(C)C[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468021910 985675802 /nfs/dbraw/zinc/67/58/02/985675802.db2.gz LXGPWYORPOSGFE-IRLDBZIGSA-N 2 2 409.578 3.679 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(-c2ccccc2F)n1 ZINC000462802444 985735173 /nfs/dbraw/zinc/73/51/73/985735173.db2.gz GMPVFMYIJIOQRW-MRXNPFEDSA-N 2 2 411.550 3.947 20 0 HHADLP FC(F)(F)c1ccc(-n2nnnc2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443588915 985764809 /nfs/dbraw/zinc/76/48/09/985764809.db2.gz FAFSWGHSNPZTFB-UHFFFAOYSA-N 2 2 422.499 3.769 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000462842019 985765952 /nfs/dbraw/zinc/76/59/52/985765952.db2.gz CBBJLEJSJRVJJE-IBGZPJMESA-N 2 2 411.546 3.577 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000443594230 985770490 /nfs/dbraw/zinc/77/04/90/985770490.db2.gz QRUATPGTRBDNIZ-SIKLNZKXSA-N 2 2 402.583 3.712 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000443594230 985770497 /nfs/dbraw/zinc/77/04/97/985770497.db2.gz QRUATPGTRBDNIZ-SIKLNZKXSA-N 2 2 402.583 3.712 20 0 HHADLP CCC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468153760 985825173 /nfs/dbraw/zinc/82/51/73/985825173.db2.gz MBLLQDXGZZAPAI-NRFANRHFSA-N 2 2 408.537 3.664 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000462899701 985827445 /nfs/dbraw/zinc/82/74/45/985827445.db2.gz BXUBTSLLPDJTBN-QGZVFWFLSA-N 2 2 414.377 3.579 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463070265 986026319 /nfs/dbraw/zinc/02/63/19/986026319.db2.gz SBHZTKHIIIZAGO-WIOPSUGQSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463070265 986026338 /nfs/dbraw/zinc/02/63/38/986026338.db2.gz SBHZTKHIIIZAGO-WIOPSUGQSA-N 2 2 423.601 3.540 20 0 HHADLP Brc1ccc2nc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2c1 ZINC000463073984 986031211 /nfs/dbraw/zinc/03/12/11/986031211.db2.gz MOIJIBPNRRSIRB-UHFFFAOYSA-N 2 2 413.363 3.894 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468381775 986081549 /nfs/dbraw/zinc/08/15/49/986081549.db2.gz GBKHJCCADFYUHS-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468381775 986081564 /nfs/dbraw/zinc/08/15/64/986081564.db2.gz GBKHJCCADFYUHS-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000468438646 986136050 /nfs/dbraw/zinc/13/60/50/986136050.db2.gz NBWVGCVUOGHPGF-UHFFFAOYSA-N 2 2 406.530 3.831 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000468450777 986145815 /nfs/dbraw/zinc/14/58/15/986145815.db2.gz PYGJGYDDALSNED-VXKWHMMOSA-N 2 2 420.601 3.816 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000463252190 986220511 /nfs/dbraw/zinc/22/05/11/986220511.db2.gz IRCCTFAPAZMTIA-UHFFFAOYSA-N 2 2 406.979 3.540 20 0 HHADLP O=S(=O)(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000463283358 986249621 /nfs/dbraw/zinc/24/96/21/986249621.db2.gz ANBOJIRXXOWRTQ-CWAQXLGLSA-N 2 2 412.599 3.777 20 0 HHADLP O=S(=O)(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000463283358 986249633 /nfs/dbraw/zinc/24/96/33/986249633.db2.gz ANBOJIRXXOWRTQ-CWAQXLGLSA-N 2 2 412.599 3.777 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000463291890 986259130 /nfs/dbraw/zinc/25/91/30/986259130.db2.gz PZTFEBRPQTZBJI-UHFFFAOYSA-N 2 2 420.557 3.592 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000463304242 986271358 /nfs/dbraw/zinc/27/13/58/986271358.db2.gz FUZPCOKDLVUAGJ-GBESFXJTSA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000463304242 986271369 /nfs/dbraw/zinc/27/13/69/986271369.db2.gz FUZPCOKDLVUAGJ-GBESFXJTSA-N 2 2 404.624 3.789 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000463304783 986272535 /nfs/dbraw/zinc/27/25/35/986272535.db2.gz WKVXFOMONCWHHF-UHFFFAOYSA-N 2 2 421.585 3.757 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000444334215 986511152 /nfs/dbraw/zinc/51/11/52/986511152.db2.gz AMHXEYFQMHZIGI-ZHRRBRCNSA-N 2 2 409.509 3.983 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444345516 986526803 /nfs/dbraw/zinc/52/68/03/986526803.db2.gz RUQFOSCZNZYTHN-GOSISDBHSA-N 2 2 403.530 3.599 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000444345516 986526809 /nfs/dbraw/zinc/52/68/09/986526809.db2.gz RUQFOSCZNZYTHN-GOSISDBHSA-N 2 2 403.530 3.599 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000468992036 986697899 /nfs/dbraw/zinc/69/78/99/986697899.db2.gz LJDBUTXXUMLHHW-ZHRRBRCNSA-N 2 2 410.468 3.992 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802040 986958019 /nfs/dbraw/zinc/95/80/19/986958019.db2.gz LTVCCTPZCYARDA-RBBKRZOGSA-N 2 2 410.562 3.752 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802040 986958027 /nfs/dbraw/zinc/95/80/27/986958027.db2.gz LTVCCTPZCYARDA-RBBKRZOGSA-N 2 2 410.562 3.752 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2)CC1 ZINC000469262034 986981371 /nfs/dbraw/zinc/98/13/71/986981371.db2.gz XDIQRAHOWBDWPB-XZOQPEGZSA-N 2 2 408.546 3.718 20 0 HHADLP O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000469451332 987137640 /nfs/dbraw/zinc/13/76/40/987137640.db2.gz AHBRUGKYRNOUCU-FPOVZHCZSA-N 2 2 419.447 3.516 20 0 HHADLP O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000469451332 987137643 /nfs/dbraw/zinc/13/76/43/987137643.db2.gz AHBRUGKYRNOUCU-FPOVZHCZSA-N 2 2 419.447 3.516 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000469651746 987309689 /nfs/dbraw/zinc/30/96/89/987309689.db2.gz DLCGWRZBWJALIH-SFHVURJKSA-N 2 2 420.479 3.971 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000469651746 987309702 /nfs/dbraw/zinc/30/97/02/987309702.db2.gz DLCGWRZBWJALIH-SFHVURJKSA-N 2 2 420.479 3.971 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000469775265 987425059 /nfs/dbraw/zinc/42/50/59/987425059.db2.gz JXNMTNZWUCRVNP-CVDCTZTESA-N 2 2 421.545 3.901 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000469775265 987425061 /nfs/dbraw/zinc/42/50/61/987425061.db2.gz JXNMTNZWUCRVNP-CVDCTZTESA-N 2 2 421.545 3.901 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)[C@@H](C)C1 ZINC000469794574 987438368 /nfs/dbraw/zinc/43/83/68/987438368.db2.gz SMYAHZVYULNAPV-UFYCRDLUSA-N 2 2 419.635 3.631 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)[C@@H](C)C1 ZINC000469794574 987438370 /nfs/dbraw/zinc/43/83/70/987438370.db2.gz SMYAHZVYULNAPV-UFYCRDLUSA-N 2 2 419.635 3.631 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000469865997 987503382 /nfs/dbraw/zinc/50/33/82/987503382.db2.gz WZEJVQFULNHJCP-REWPJTCUSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469866700 987503625 /nfs/dbraw/zinc/50/36/25/987503625.db2.gz RBCMNKCDJZHZFO-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469866700 987503630 /nfs/dbraw/zinc/50/36/30/987503630.db2.gz RBCMNKCDJZHZFO-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866101 987503700 /nfs/dbraw/zinc/50/37/00/987503700.db2.gz OTDCBNHABKLFFE-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866101 987503703 /nfs/dbraw/zinc/50/37/03/987503703.db2.gz OTDCBNHABKLFFE-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000464050096 988172282 /nfs/dbraw/zinc/17/22/82/988172282.db2.gz CPGPVZXVVLFWPR-HXUWFJFHSA-N 2 2 407.986 3.694 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000464050096 988172285 /nfs/dbraw/zinc/17/22/85/988172285.db2.gz CPGPVZXVVLFWPR-HXUWFJFHSA-N 2 2 407.986 3.694 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464083806 988204353 /nfs/dbraw/zinc/20/43/53/988204353.db2.gz WNMUHBSEMUUJQQ-FGZHOGPDSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464083806 988204361 /nfs/dbraw/zinc/20/43/61/988204361.db2.gz WNMUHBSEMUUJQQ-FGZHOGPDSA-N 2 2 413.610 3.761 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470280352 988235418 /nfs/dbraw/zinc/23/54/18/988235418.db2.gz OGIMZGHMGNRAFR-GOSISDBHSA-N 2 2 409.456 3.551 20 0 HHADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)cc1F ZINC000470635159 988649150 /nfs/dbraw/zinc/64/91/50/988649150.db2.gz ILGWADOIVDAWMK-BGYRXZFFSA-N 2 2 422.520 3.591 20 0 HHADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(F)cc1F ZINC000470635159 988649155 /nfs/dbraw/zinc/64/91/55/988649155.db2.gz ILGWADOIVDAWMK-BGYRXZFFSA-N 2 2 422.520 3.591 20 0 HHADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(F)cc1F ZINC000470635159 988649161 /nfs/dbraw/zinc/64/91/61/988649161.db2.gz ILGWADOIVDAWMK-BGYRXZFFSA-N 2 2 422.520 3.591 20 0 HHADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(F)cc1F ZINC000470635159 988649167 /nfs/dbraw/zinc/64/91/67/988649167.db2.gz ILGWADOIVDAWMK-BGYRXZFFSA-N 2 2 422.520 3.591 20 0 HHADLP CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743200 988782276 /nfs/dbraw/zinc/78/22/76/988782276.db2.gz KTOTURKXBHPLFA-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743200 988782283 /nfs/dbraw/zinc/78/22/83/988782283.db2.gz KTOTURKXBHPLFA-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898544 988973062 /nfs/dbraw/zinc/97/30/62/988973062.db2.gz DLGVLONMCOYVMM-QHCPKHFHSA-N 2 2 403.530 3.678 20 0 HHADLP CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898544 988973072 /nfs/dbraw/zinc/97/30/72/988973072.db2.gz DLGVLONMCOYVMM-QHCPKHFHSA-N 2 2 403.530 3.678 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781525 989008933 /nfs/dbraw/zinc/00/89/33/989008933.db2.gz VVGGEGZTAGGTEI-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781525 989008941 /nfs/dbraw/zinc/00/89/41/989008941.db2.gz VVGGEGZTAGGTEI-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801574 989030479 /nfs/dbraw/zinc/03/04/79/989030479.db2.gz HQOCVOASRKSLOY-OAQYLSRUSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801574 989030488 /nfs/dbraw/zinc/03/04/88/989030488.db2.gz HQOCVOASRKSLOY-OAQYLSRUSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810940 989045814 /nfs/dbraw/zinc/04/58/14/989045814.db2.gz QDAJRWKHGDKJTP-UHFFFAOYSA-N 2 2 400.954 3.590 20 0 HHADLP CC[N@H+](CC(=O)NCc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810940 989045828 /nfs/dbraw/zinc/04/58/28/989045828.db2.gz QDAJRWKHGDKJTP-UHFFFAOYSA-N 2 2 400.954 3.590 20 0 HHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000471180820 989311513 /nfs/dbraw/zinc/31/15/13/989311513.db2.gz BCSFDYAUZPKFOD-SFHVURJKSA-N 2 2 413.587 3.963 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000471180820 989311524 /nfs/dbraw/zinc/31/15/24/989311524.db2.gz BCSFDYAUZPKFOD-SFHVURJKSA-N 2 2 413.587 3.963 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186656 989320670 /nfs/dbraw/zinc/32/06/70/989320670.db2.gz OBIBIYZOPVYDRH-OFNKIYASSA-N 2 2 406.505 3.976 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186656 989320681 /nfs/dbraw/zinc/32/06/81/989320681.db2.gz OBIBIYZOPVYDRH-OFNKIYASSA-N 2 2 406.505 3.976 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232780 989378572 /nfs/dbraw/zinc/37/85/72/989378572.db2.gz CMHFWGVGFITAKY-XWFZLUIHSA-N 2 2 403.567 3.755 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232780 989378578 /nfs/dbraw/zinc/37/85/78/989378578.db2.gz CMHFWGVGFITAKY-XWFZLUIHSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232780 989378586 /nfs/dbraw/zinc/37/85/86/989378586.db2.gz CMHFWGVGFITAKY-XWFZLUIHSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232780 989378594 /nfs/dbraw/zinc/37/85/94/989378594.db2.gz CMHFWGVGFITAKY-XWFZLUIHSA-N 2 2 403.567 3.755 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274592 989425629 /nfs/dbraw/zinc/42/56/29/989425629.db2.gz WXVPWPNFYRAZDO-IFMALSPDSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274592 989425631 /nfs/dbraw/zinc/42/56/31/989425631.db2.gz WXVPWPNFYRAZDO-IFMALSPDSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000471613781 989818512 /nfs/dbraw/zinc/81/85/12/989818512.db2.gz YJWTUDQHFYRNIU-IBGZPJMESA-N 2 2 416.525 3.876 20 0 HHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000471613782 989818751 /nfs/dbraw/zinc/81/87/51/989818751.db2.gz YJWTUDQHFYRNIU-LJQANCHMSA-N 2 2 416.525 3.876 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000465525535 989882126 /nfs/dbraw/zinc/88/21/26/989882126.db2.gz XQXAANPUHNVYTK-UNMCSNQZSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000465525535 989882134 /nfs/dbraw/zinc/88/21/34/989882134.db2.gz XQXAANPUHNVYTK-UNMCSNQZSA-N 2 2 423.586 3.875 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471877630 990049726 /nfs/dbraw/zinc/04/97/26/990049726.db2.gz SIZOQTZZJQTBDW-FGZHOGPDSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471877630 990049733 /nfs/dbraw/zinc/04/97/33/990049733.db2.gz SIZOQTZZJQTBDW-FGZHOGPDSA-N 2 2 411.594 3.979 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000465740484 990126228 /nfs/dbraw/zinc/12/62/28/990126228.db2.gz MUOOGTDGPLJDFE-HXUWFJFHSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000465740484 990126233 /nfs/dbraw/zinc/12/62/33/990126233.db2.gz MUOOGTDGPLJDFE-HXUWFJFHSA-N 2 2 403.530 3.678 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465756339 990141396 /nfs/dbraw/zinc/14/13/96/990141396.db2.gz QGXQPIJVIBTTQZ-NRFANRHFSA-N 2 2 421.520 3.675 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465756339 990141403 /nfs/dbraw/zinc/14/14/03/990141403.db2.gz QGXQPIJVIBTTQZ-NRFANRHFSA-N 2 2 421.520 3.675 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465763028 990148897 /nfs/dbraw/zinc/14/88/97/990148897.db2.gz XQJUDWKHMCSBAU-PKTZIBPZSA-N 2 2 412.622 3.962 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869111 990982427 /nfs/dbraw/zinc/98/24/27/990982427.db2.gz DIYBSPCTYPQBRF-FXAWDEMLSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869111 990982433 /nfs/dbraw/zinc/98/24/33/990982433.db2.gz DIYBSPCTYPQBRF-FXAWDEMLSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869111 990982441 /nfs/dbraw/zinc/98/24/41/990982441.db2.gz DIYBSPCTYPQBRF-FXAWDEMLSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869111 990982449 /nfs/dbraw/zinc/98/24/49/990982449.db2.gz DIYBSPCTYPQBRF-FXAWDEMLSA-N 2 2 424.992 3.817 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465877776 990994095 /nfs/dbraw/zinc/99/40/95/990994095.db2.gz WMYGEZCQCOWMGO-SFHVURJKSA-N 2 2 423.388 3.614 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000466016834 991183544 /nfs/dbraw/zinc/18/35/44/991183544.db2.gz BVHAIJUHHQEKPD-NQIIRXRSSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000466016834 991183548 /nfs/dbraw/zinc/18/35/48/991183548.db2.gz BVHAIJUHHQEKPD-NQIIRXRSSA-N 2 2 409.559 3.816 20 0 HHADLP CN(Cc1cccc2ccccc21)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466151950 991337018 /nfs/dbraw/zinc/33/70/18/991337018.db2.gz CEILHRRRMZWPJI-UHFFFAOYSA-N 2 2 408.590 3.932 20 0 HHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H](c2ccco2)C1 ZINC000466153815 991339281 /nfs/dbraw/zinc/33/92/81/991339281.db2.gz LTRVZFSGFNSWFY-UXHICEINSA-N 2 2 402.583 3.713 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccc(Cl)cc2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000466156923 991344317 /nfs/dbraw/zinc/34/43/17/991344317.db2.gz IAMQLJOMIPCWLL-UHFFFAOYSA-N 2 2 419.013 3.964 20 0 HHADLP COc1ccc(-c2ccc(CNC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000466259445 991504781 /nfs/dbraw/zinc/50/47/81/991504781.db2.gz XEDMJMXHGKZHBJ-UHFFFAOYSA-N 2 2 424.589 3.530 20 0 HHADLP COc1ccc(-c2ccc(CNC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000466259445 991504791 /nfs/dbraw/zinc/50/47/91/991504791.db2.gz XEDMJMXHGKZHBJ-UHFFFAOYSA-N 2 2 424.589 3.530 20 0 HHADLP C[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467220284 992544822 /nfs/dbraw/zinc/54/48/22/992544822.db2.gz VMHJMBKNJMIJRB-RUZDIDTESA-N 2 2 407.558 3.555 20 0 HHADLP C[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467220284 992544828 /nfs/dbraw/zinc/54/48/28/992544828.db2.gz VMHJMBKNJMIJRB-RUZDIDTESA-N 2 2 407.558 3.555 20 0 HHADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCSC1 ZINC000467409782 992714123 /nfs/dbraw/zinc/71/41/23/992714123.db2.gz AJQPSKPBXPLAQH-RTBURBONSA-N 2 2 413.425 3.944 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@@H+]2C2CC2)c1 ZINC000472317108 993328095 /nfs/dbraw/zinc/32/80/95/993328095.db2.gz VWTMYWCLQONERR-RBBKRZOGSA-N 2 2 405.502 3.751 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@H+]2C2CC2)c1 ZINC000472317108 993328103 /nfs/dbraw/zinc/32/81/03/993328103.db2.gz VWTMYWCLQONERR-RBBKRZOGSA-N 2 2 405.502 3.751 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000472366505 993364177 /nfs/dbraw/zinc/36/41/77/993364177.db2.gz RMKVGISVRSKAPV-FRHHVXPKSA-N 2 2 418.585 3.549 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000472366505 993364182 /nfs/dbraw/zinc/36/41/82/993364182.db2.gz RMKVGISVRSKAPV-FRHHVXPKSA-N 2 2 418.585 3.549 20 0 HHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652006 993586094 /nfs/dbraw/zinc/58/60/94/993586094.db2.gz GSMXDKUVUJNMIE-NRFANRHFSA-N 2 2 401.576 3.794 20 0 HHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652006 993586098 /nfs/dbraw/zinc/58/60/98/993586098.db2.gz GSMXDKUVUJNMIE-NRFANRHFSA-N 2 2 401.576 3.794 20 0 HHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652006 993586105 /nfs/dbraw/zinc/58/61/05/993586105.db2.gz GSMXDKUVUJNMIE-NRFANRHFSA-N 2 2 401.576 3.794 20 0 HHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652006 993586112 /nfs/dbraw/zinc/58/61/12/993586112.db2.gz GSMXDKUVUJNMIE-NRFANRHFSA-N 2 2 401.576 3.794 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886975 993748241 /nfs/dbraw/zinc/74/82/41/993748241.db2.gz ZFRWVKMPBLHFHH-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886975 993748250 /nfs/dbraw/zinc/74/82/50/993748250.db2.gz ZFRWVKMPBLHFHH-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480903312 993759561 /nfs/dbraw/zinc/75/95/61/993759561.db2.gz CZTNRJJIQICVKE-IBGZPJMESA-N 2 2 411.546 3.515 20 0 HHADLP C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480914462 993770319 /nfs/dbraw/zinc/77/03/19/993770319.db2.gz WVMPUUNZEQNDTK-HNNXBMFYSA-N 2 2 413.319 3.715 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183150 994013427 /nfs/dbraw/zinc/01/34/27/994013427.db2.gz QIKPCDJEDWSRFJ-AEFFLSMTSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183150 994013439 /nfs/dbraw/zinc/01/34/39/994013439.db2.gz QIKPCDJEDWSRFJ-AEFFLSMTSA-N 2 2 403.473 3.727 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481191076 994023109 /nfs/dbraw/zinc/02/31/09/994023109.db2.gz NSWZPYMJFJIQHV-DHIUTWEWSA-N 2 2 406.574 3.511 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481196452 994030152 /nfs/dbraw/zinc/03/01/52/994030152.db2.gz ZEBRKUMTXPDKAB-QTDGGUCWSA-N 2 2 409.574 3.761 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481196452 994030161 /nfs/dbraw/zinc/03/01/61/994030161.db2.gz ZEBRKUMTXPDKAB-QTDGGUCWSA-N 2 2 409.574 3.761 20 0 HHADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC000481257395 994079999 /nfs/dbraw/zinc/07/99/99/994079999.db2.gz OLNZHJPPCUHKNW-IBGZPJMESA-N 2 2 403.368 3.837 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000481295542 994110784 /nfs/dbraw/zinc/11/07/84/994110784.db2.gz PJSCNHCAVZYQLB-FQEVSTJZSA-N 2 2 420.557 3.682 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481305458 994122367 /nfs/dbraw/zinc/12/23/67/994122367.db2.gz GKUALWJKVUZPPD-MSOLQXFVSA-N 2 2 404.514 3.942 20 0 HHADLP CC(C)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2cccnc21 ZINC000481308935 994126618 /nfs/dbraw/zinc/12/66/18/994126618.db2.gz GWIOGXGYYNPUOJ-QFIPXVFZSA-N 2 2 421.589 3.551 20 0 HHADLP CC(C)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2cccnc21 ZINC000481308935 994126628 /nfs/dbraw/zinc/12/66/28/994126628.db2.gz GWIOGXGYYNPUOJ-QFIPXVFZSA-N 2 2 421.589 3.551 20 0 HHADLP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481529947 994360475 /nfs/dbraw/zinc/36/04/75/994360475.db2.gz BBTDCBWMOFCMFY-RDPSFJRHSA-N 2 2 409.574 3.639 20 0 HHADLP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481529947 994360487 /nfs/dbraw/zinc/36/04/87/994360487.db2.gz BBTDCBWMOFCMFY-RDPSFJRHSA-N 2 2 409.574 3.639 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556763 994390011 /nfs/dbraw/zinc/39/00/11/994390011.db2.gz KCOZJSPKGXPZOK-RTBURBONSA-N 2 2 405.546 3.647 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556763 994390019 /nfs/dbraw/zinc/39/00/19/994390019.db2.gz KCOZJSPKGXPZOK-RTBURBONSA-N 2 2 405.546 3.647 20 0 HHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000481558817 994392984 /nfs/dbraw/zinc/39/29/84/994392984.db2.gz RAEGVQGKXGKSEG-IRXDYDNUSA-N 2 2 402.510 3.914 20 0 HHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000481558817 994392989 /nfs/dbraw/zinc/39/29/89/994392989.db2.gz RAEGVQGKXGKSEG-IRXDYDNUSA-N 2 2 402.510 3.914 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)CC2)CC1 ZINC000473610277 994490373 /nfs/dbraw/zinc/49/03/73/994490373.db2.gz RLAIAGQUAVSYDX-UHFFFAOYSA-N 2 2 423.523 3.703 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000473728195 994623314 /nfs/dbraw/zinc/62/33/14/994623314.db2.gz DXEGMCCDBUMSIM-UHFFFAOYSA-N 2 2 411.512 3.703 20 0 HHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000473896289 994852663 /nfs/dbraw/zinc/85/26/63/994852663.db2.gz MGIHKNWHCWEAAE-FQEVSTJZSA-N 2 2 409.549 3.943 20 0 HHADLP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000473913420 994878771 /nfs/dbraw/zinc/87/87/71/994878771.db2.gz GMLPFEDJIBYALN-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000473913420 994878785 /nfs/dbraw/zinc/87/87/85/994878785.db2.gz GMLPFEDJIBYALN-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473943774 994919673 /nfs/dbraw/zinc/91/96/73/994919673.db2.gz IAFOQCQKOXTOKP-SIKLNZKXSA-N 2 2 409.578 3.629 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473943774 994919685 /nfs/dbraw/zinc/91/96/85/994919685.db2.gz IAFOQCQKOXTOKP-SIKLNZKXSA-N 2 2 409.578 3.629 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482014782 994922732 /nfs/dbraw/zinc/92/27/32/994922732.db2.gz FFZIFFKCGDMIKR-RPWUZVMVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482014782 994922742 /nfs/dbraw/zinc/92/27/42/994922742.db2.gz FFZIFFKCGDMIKR-RPWUZVMVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482016486 994925065 /nfs/dbraw/zinc/92/50/65/994925065.db2.gz IFEHIOMMADAFPS-XZOQPEGZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482016486 994925075 /nfs/dbraw/zinc/92/50/75/994925075.db2.gz IFEHIOMMADAFPS-XZOQPEGZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC(F)F ZINC000482016055 994925213 /nfs/dbraw/zinc/92/52/13/994925213.db2.gz NCBKBRSQJVDUIQ-VQIMIIECSA-N 2 2 405.489 3.734 20 0 HHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC(F)F ZINC000482016055 994925226 /nfs/dbraw/zinc/92/52/26/994925226.db2.gz NCBKBRSQJVDUIQ-VQIMIIECSA-N 2 2 405.489 3.734 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024793 994939991 /nfs/dbraw/zinc/93/99/91/994939991.db2.gz HCMWIIIXDPJPFO-CJNGLKHVSA-N 2 2 403.901 3.535 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024793 994940003 /nfs/dbraw/zinc/94/00/03/994940003.db2.gz HCMWIIIXDPJPFO-CJNGLKHVSA-N 2 2 403.901 3.535 20 0 HHADLP COC(=O)c1ccc(-c2ccc(CNc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)o2)cc1 ZINC000482055221 994982859 /nfs/dbraw/zinc/98/28/59/994982859.db2.gz LBKJTVYVOBKUCD-HXUWFJFHSA-N 2 2 420.513 3.881 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)CC[N@@H+]2C2CC2)c1 ZINC000482073779 995008763 /nfs/dbraw/zinc/00/87/63/995008763.db2.gz BKKNGZQZOWAHKS-PISWEHOVSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)CC[N@H+]2C2CC2)c1 ZINC000482073779 995008773 /nfs/dbraw/zinc/00/87/73/995008773.db2.gz BKKNGZQZOWAHKS-PISWEHOVSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073779 995008782 /nfs/dbraw/zinc/00/87/82/995008782.db2.gz BKKNGZQZOWAHKS-PISWEHOVSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073779 995008790 /nfs/dbraw/zinc/00/87/90/995008790.db2.gz BKKNGZQZOWAHKS-PISWEHOVSA-N 2 2 419.569 3.536 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120061 995066893 /nfs/dbraw/zinc/06/68/93/995066893.db2.gz IPMISYFHGNVJIT-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120061 995066903 /nfs/dbraw/zinc/06/69/03/995066903.db2.gz IPMISYFHGNVJIT-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482163603 995120774 /nfs/dbraw/zinc/12/07/74/995120774.db2.gz LLUYIDRQHCFCCB-QFIPXVFZSA-N 2 2 412.553 3.799 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482163603 995120778 /nfs/dbraw/zinc/12/07/78/995120778.db2.gz LLUYIDRQHCFCCB-QFIPXVFZSA-N 2 2 412.553 3.799 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000474204059 995200137 /nfs/dbraw/zinc/20/01/37/995200137.db2.gz BWDGWFRWHDOHHJ-PGRDOPGGSA-N 2 2 410.562 3.600 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H](C2CCCCC2)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000482290169 995269796 /nfs/dbraw/zinc/26/97/96/995269796.db2.gz BJNSLESIAJANJG-GOSISDBHSA-N 2 2 418.548 3.747 20 0 HHADLP CC[C@H](Oc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000482326215 995304579 /nfs/dbraw/zinc/30/45/79/995304579.db2.gz NYZIYMFJJPCAAH-IBGZPJMESA-N 2 2 407.986 3.564 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000474366089 995345933 /nfs/dbraw/zinc/34/59/33/995345933.db2.gz FBJRXBDXOBBNMO-UHFFFAOYSA-N 2 2 410.587 3.732 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000474526708 995491791 /nfs/dbraw/zinc/49/17/91/995491791.db2.gz ZXJBMFQMANTMHZ-NPHXMPSESA-N 2 2 409.578 3.730 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000474526708 995491799 /nfs/dbraw/zinc/49/17/99/995491799.db2.gz ZXJBMFQMANTMHZ-NPHXMPSESA-N 2 2 409.578 3.730 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615500 995567381 /nfs/dbraw/zinc/56/73/81/995567381.db2.gz KTHLGGGJRQOOHF-RDPSFJRHSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615500 995567389 /nfs/dbraw/zinc/56/73/89/995567389.db2.gz KTHLGGGJRQOOHF-RDPSFJRHSA-N 2 2 422.573 3.818 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474657599 995603429 /nfs/dbraw/zinc/60/34/29/995603429.db2.gz LXINVDSTOYLYDK-QGWLNKKWSA-N 2 2 422.976 3.931 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474657599 995603434 /nfs/dbraw/zinc/60/34/34/995603434.db2.gz LXINVDSTOYLYDK-QGWLNKKWSA-N 2 2 422.976 3.931 20 0 HHADLP CC1CC[NH+](CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000474744280 995678035 /nfs/dbraw/zinc/67/80/35/995678035.db2.gz GRDAOWUYDBJTBX-UHFFFAOYSA-N 2 2 406.933 3.826 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000482874345 995808086 /nfs/dbraw/zinc/80/80/86/995808086.db2.gz HWWLESIINCEDAT-CYBMUJFWSA-N 2 2 403.901 3.535 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000475055245 995893909 /nfs/dbraw/zinc/89/39/09/995893909.db2.gz UEXLMRUYTWPUGK-SFHVURJKSA-N 2 2 407.345 3.787 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475100844 995921967 /nfs/dbraw/zinc/92/19/67/995921967.db2.gz LCLBZSWAQMTVHE-OAQYLSRUSA-N 2 2 405.546 3.607 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475100844 995921971 /nfs/dbraw/zinc/92/19/71/995921971.db2.gz LCLBZSWAQMTVHE-OAQYLSRUSA-N 2 2 405.546 3.607 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000475143528 995950972 /nfs/dbraw/zinc/95/09/72/995950972.db2.gz IQRHODNQZIMIAD-HUUCEWRRSA-N 2 2 414.497 3.622 20 0 HHADLP CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475176547 995973945 /nfs/dbraw/zinc/97/39/45/995973945.db2.gz VCZAIVZLEWEKBG-HSZRJFAPSA-N 2 2 421.589 3.665 20 0 HHADLP CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475176547 995973950 /nfs/dbraw/zinc/97/39/50/995973950.db2.gz VCZAIVZLEWEKBG-HSZRJFAPSA-N 2 2 421.589 3.665 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120594 995987769 /nfs/dbraw/zinc/98/77/69/995987769.db2.gz OULUTYSIZIYEOD-GOSISDBHSA-N 2 2 405.583 3.595 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121725 995988476 /nfs/dbraw/zinc/98/84/76/995988476.db2.gz QJXVCCLCPGFAHA-WMZHIEFXSA-N 2 2 413.587 3.542 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121725 995988480 /nfs/dbraw/zinc/98/84/80/995988480.db2.gz QJXVCCLCPGFAHA-WMZHIEFXSA-N 2 2 413.587 3.542 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC000475324040 996071109 /nfs/dbraw/zinc/07/11/09/996071109.db2.gz JIKRDQBFKYXEHO-IBGZPJMESA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC000475324040 996071118 /nfs/dbraw/zinc/07/11/18/996071118.db2.gz JIKRDQBFKYXEHO-IBGZPJMESA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC([N@@H+]3CCc4ccccc4C3)CC1)CC2 ZINC000475324040 996071123 /nfs/dbraw/zinc/07/11/23/996071123.db2.gz JIKRDQBFKYXEHO-IBGZPJMESA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC([N@H+]3CCc4ccccc4C3)CC1)CC2 ZINC000475324040 996071130 /nfs/dbraw/zinc/07/11/30/996071130.db2.gz JIKRDQBFKYXEHO-IBGZPJMESA-N 2 2 406.574 3.687 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269933 996072738 /nfs/dbraw/zinc/07/27/38/996072738.db2.gz OILFJOSHFKUXAZ-RPWUZVMVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269933 996072745 /nfs/dbraw/zinc/07/27/45/996072745.db2.gz OILFJOSHFKUXAZ-RPWUZVMVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000483269933 996072750 /nfs/dbraw/zinc/07/27/50/996072750.db2.gz OILFJOSHFKUXAZ-RPWUZVMVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000483269933 996072756 /nfs/dbraw/zinc/07/27/56/996072756.db2.gz OILFJOSHFKUXAZ-RPWUZVMVSA-N 2 2 408.590 3.651 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475066 996203992 /nfs/dbraw/zinc/20/39/92/996203992.db2.gz OGBRJWYQGHNHQZ-UKILVPOCSA-N 2 2 405.586 3.741 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475066 996203998 /nfs/dbraw/zinc/20/39/98/996203998.db2.gz OGBRJWYQGHNHQZ-UKILVPOCSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475066 996204002 /nfs/dbraw/zinc/20/40/02/996204002.db2.gz OGBRJWYQGHNHQZ-UKILVPOCSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475066 996204007 /nfs/dbraw/zinc/20/40/07/996204007.db2.gz OGBRJWYQGHNHQZ-UKILVPOCSA-N 2 2 405.586 3.741 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481341 996208096 /nfs/dbraw/zinc/20/80/96/996208096.db2.gz XUXAFEXEFFMZNP-DGWZTRNLSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481341 996208102 /nfs/dbraw/zinc/20/81/02/996208102.db2.gz XUXAFEXEFFMZNP-DGWZTRNLSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483481341 996208105 /nfs/dbraw/zinc/20/81/05/996208105.db2.gz XUXAFEXEFFMZNP-DGWZTRNLSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483481341 996208110 /nfs/dbraw/zinc/20/81/10/996208110.db2.gz XUXAFEXEFFMZNP-DGWZTRNLSA-N 2 2 422.569 3.615 20 0 HHADLP Cn1c[nH+]cc1CCC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000475586384 996233234 /nfs/dbraw/zinc/23/32/34/996233234.db2.gz DKAUFHGCVUAYDG-UHFFFAOYSA-N 2 2 404.558 3.923 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000475646482 996274384 /nfs/dbraw/zinc/27/43/84/996274384.db2.gz QBWGDPVHJZKOBX-UHFFFAOYSA-N 2 2 400.473 3.522 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000483657124 996312627 /nfs/dbraw/zinc/31/26/27/996312627.db2.gz SVUDKYJNTRPHBT-GOSISDBHSA-N 2 2 421.545 3.738 20 0 HHADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475729470 996328838 /nfs/dbraw/zinc/32/88/38/996328838.db2.gz FVGHKUANCVVIBU-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475729470 996328844 /nfs/dbraw/zinc/32/88/44/996328844.db2.gz FVGHKUANCVVIBU-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475729470 996328848 /nfs/dbraw/zinc/32/88/48/996328848.db2.gz FVGHKUANCVVIBU-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475729470 996328853 /nfs/dbraw/zinc/32/88/53/996328853.db2.gz FVGHKUANCVVIBU-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732725 996331742 /nfs/dbraw/zinc/33/17/42/996331742.db2.gz RCOQVJONAYFMJR-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732725 996331749 /nfs/dbraw/zinc/33/17/49/996331749.db2.gz RCOQVJONAYFMJR-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475732725 996331754 /nfs/dbraw/zinc/33/17/54/996331754.db2.gz RCOQVJONAYFMJR-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475732725 996331761 /nfs/dbraw/zinc/33/17/61/996331761.db2.gz RCOQVJONAYFMJR-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483731470 996355119 /nfs/dbraw/zinc/35/51/19/996355119.db2.gz SGNOXHMLZXPDJO-LJQANCHMSA-N 2 2 424.570 3.914 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483731470 996355127 /nfs/dbraw/zinc/35/51/27/996355127.db2.gz SGNOXHMLZXPDJO-LJQANCHMSA-N 2 2 424.570 3.914 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000483868180 996436858 /nfs/dbraw/zinc/43/68/58/996436858.db2.gz JXFOWYYJAUNUAV-HBMCJLEFSA-N 2 2 414.594 3.636 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000483868180 996436860 /nfs/dbraw/zinc/43/68/60/996436860.db2.gz JXFOWYYJAUNUAV-HBMCJLEFSA-N 2 2 414.594 3.636 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870671 996438510 /nfs/dbraw/zinc/43/85/10/996438510.db2.gz ZTHMRLAICAQZCG-MRXNPFEDSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870671 996438515 /nfs/dbraw/zinc/43/85/15/996438515.db2.gz ZTHMRLAICAQZCG-MRXNPFEDSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870671 996438518 /nfs/dbraw/zinc/43/85/18/996438518.db2.gz ZTHMRLAICAQZCG-MRXNPFEDSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870671 996438521 /nfs/dbraw/zinc/43/85/21/996438521.db2.gz ZTHMRLAICAQZCG-MRXNPFEDSA-N 2 2 419.570 3.768 20 0 HHADLP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483927357 996473210 /nfs/dbraw/zinc/47/32/10/996473210.db2.gz LYIBRJZYNQXWAH-GOSISDBHSA-N 2 2 408.468 3.804 20 0 HHADLP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483927357 996473212 /nfs/dbraw/zinc/47/32/12/996473212.db2.gz LYIBRJZYNQXWAH-GOSISDBHSA-N 2 2 408.468 3.804 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000475935864 996483904 /nfs/dbraw/zinc/48/39/04/996483904.db2.gz YSWGKHSDUHXXRS-YQQQUEKLSA-N 2 2 424.495 3.935 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000475935864 996483905 /nfs/dbraw/zinc/48/39/05/996483905.db2.gz YSWGKHSDUHXXRS-YQQQUEKLSA-N 2 2 424.495 3.935 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000483975970 996501351 /nfs/dbraw/zinc/50/13/51/996501351.db2.gz IKWDPQNUUWZLAM-UHFFFAOYSA-N 2 2 406.505 3.848 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCOc2ccc(Cl)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000483998548 996514136 /nfs/dbraw/zinc/51/41/36/996514136.db2.gz ASNQKSRKEUVJBR-HRAATJIYSA-N 2 2 408.949 3.996 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCOc2ccc(Cl)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000483998548 996514142 /nfs/dbraw/zinc/51/41/42/996514142.db2.gz ASNQKSRKEUVJBR-HRAATJIYSA-N 2 2 408.949 3.996 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000483998548 996514146 /nfs/dbraw/zinc/51/41/46/996514146.db2.gz ASNQKSRKEUVJBR-HRAATJIYSA-N 2 2 408.949 3.996 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCOc2ccc(Cl)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000483998548 996514151 /nfs/dbraw/zinc/51/41/51/996514151.db2.gz ASNQKSRKEUVJBR-HRAATJIYSA-N 2 2 408.949 3.996 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C2 ZINC000476047962 996566182 /nfs/dbraw/zinc/56/61/82/996566182.db2.gz VRPBRQGPFIBDSA-CQSZACIVSA-N 2 2 404.942 3.871 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)CC2 ZINC000476047962 996566187 /nfs/dbraw/zinc/56/61/87/996566187.db2.gz VRPBRQGPFIBDSA-CQSZACIVSA-N 2 2 404.942 3.871 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1OC(F)F ZINC000484141932 996595227 /nfs/dbraw/zinc/59/52/27/996595227.db2.gz RPUMAINVJIQSLK-DBVUQKKJSA-N 2 2 420.500 3.830 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1OC(F)F ZINC000484141932 996595234 /nfs/dbraw/zinc/59/52/34/996595234.db2.gz RPUMAINVJIQSLK-DBVUQKKJSA-N 2 2 420.500 3.830 20 0 HHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151304 996601629 /nfs/dbraw/zinc/60/16/29/996601629.db2.gz GIEFOIRTZBLPLW-HJNYFJLDSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151304 996601634 /nfs/dbraw/zinc/60/16/34/996601634.db2.gz GIEFOIRTZBLPLW-HJNYFJLDSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170005 996613924 /nfs/dbraw/zinc/61/39/24/996613924.db2.gz CWWLKSPERWXKSD-NHCUHLMSSA-N 2 2 408.464 3.620 20 0 HHADLP COC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170005 996613927 /nfs/dbraw/zinc/61/39/27/996613927.db2.gz CWWLKSPERWXKSD-NHCUHLMSSA-N 2 2 408.464 3.620 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172294 996615909 /nfs/dbraw/zinc/61/59/09/996615909.db2.gz GDGOQDBWSZQIPH-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172294 996615910 /nfs/dbraw/zinc/61/59/10/996615910.db2.gz GDGOQDBWSZQIPH-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP COc1cc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000484642846 996976744 /nfs/dbraw/zinc/97/67/44/996976744.db2.gz RAXCEDUIQLFFSH-GHTZIAJQSA-N 2 2 406.530 3.815 20 0 HHADLP COc1cc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000484642848 996977065 /nfs/dbraw/zinc/97/70/65/996977065.db2.gz RAXCEDUIQLFFSH-NQIIRXRSSA-N 2 2 406.530 3.815 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709616 997049118 /nfs/dbraw/zinc/04/91/18/997049118.db2.gz MYNKGTAQDXZBMH-BEVDRBHNSA-N 2 2 424.992 3.986 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709616 997049130 /nfs/dbraw/zinc/04/91/30/997049130.db2.gz MYNKGTAQDXZBMH-BEVDRBHNSA-N 2 2 424.992 3.986 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000476651021 997184266 /nfs/dbraw/zinc/18/42/66/997184266.db2.gz CDQORCODZDOLBP-IRLDBZIGSA-N 2 2 410.562 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000476651021 997184280 /nfs/dbraw/zinc/18/42/80/997184280.db2.gz CDQORCODZDOLBP-IRLDBZIGSA-N 2 2 410.562 3.723 20 0 HHADLP CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476687356 997226629 /nfs/dbraw/zinc/22/66/29/997226629.db2.gz GRAJPSAKUBHYCL-GOSISDBHSA-N 2 2 412.484 3.746 20 0 HHADLP O=C(C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000484996233 997358816 /nfs/dbraw/zinc/35/88/16/997358816.db2.gz OCGRLARLPKSVDJ-UHFFFAOYSA-N 2 2 415.887 3.681 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000476816522 997373499 /nfs/dbraw/zinc/37/34/99/997373499.db2.gz DYUWDEJLUYYNSJ-HNNXBMFYSA-N 2 2 401.473 3.511 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000476827320 997387370 /nfs/dbraw/zinc/38/73/70/997387370.db2.gz WDBKQPZNADKBSD-PMACEKPBSA-N 2 2 411.590 3.885 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000476827325 997387973 /nfs/dbraw/zinc/38/79/73/997387973.db2.gz WDBKQPZNADKBSD-WOJBJXKFSA-N 2 2 411.590 3.885 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000476854962 997423751 /nfs/dbraw/zinc/42/37/51/997423751.db2.gz PHTRWEBXGIUQSV-HSZRJFAPSA-N 2 2 421.589 3.782 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000476854962 997423754 /nfs/dbraw/zinc/42/37/54/997423754.db2.gz PHTRWEBXGIUQSV-HSZRJFAPSA-N 2 2 421.589 3.782 20 0 HHADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187388 997856632 /nfs/dbraw/zinc/85/66/32/997856632.db2.gz LEPKDNNFICCLTI-XZOQPEGZSA-N 2 2 406.574 3.779 20 0 HHADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187388 997856641 /nfs/dbraw/zinc/85/66/41/997856641.db2.gz LEPKDNNFICCLTI-XZOQPEGZSA-N 2 2 406.574 3.779 20 0 HHADLP CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000485516613 997973051 /nfs/dbraw/zinc/97/30/51/997973051.db2.gz NWXHCAWBNWLGKR-UHFFFAOYSA-N 2 2 413.610 3.600 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000477290277 997974609 /nfs/dbraw/zinc/97/46/09/997974609.db2.gz NYASDXUKJORNKD-WOJBJXKFSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000477290277 997974620 /nfs/dbraw/zinc/97/46/20/997974620.db2.gz NYASDXUKJORNKD-WOJBJXKFSA-N 2 2 422.976 3.713 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339031 998027022 /nfs/dbraw/zinc/02/70/22/998027022.db2.gz FOBASSGUEOUKBY-NHCUHLMSSA-N 2 2 424.589 3.604 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339031 998027033 /nfs/dbraw/zinc/02/70/33/998027033.db2.gz FOBASSGUEOUKBY-NHCUHLMSSA-N 2 2 424.589 3.604 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486160613 998609750 /nfs/dbraw/zinc/60/97/50/998609750.db2.gz WAXAFGIFJULRSY-YSFYHYPLSA-N 2 2 419.560 3.831 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486160613 998609752 /nfs/dbraw/zinc/60/97/52/998609752.db2.gz WAXAFGIFJULRSY-YSFYHYPLSA-N 2 2 419.560 3.831 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931782 998665225 /nfs/dbraw/zinc/66/52/25/998665225.db2.gz PZQJTSPAIHMQEY-QFBILLFUSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931782 998665229 /nfs/dbraw/zinc/66/52/29/998665229.db2.gz PZQJTSPAIHMQEY-QFBILLFUSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486243631 998671359 /nfs/dbraw/zinc/67/13/59/998671359.db2.gz JTEVSGWCHWORNI-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486243631 998671363 /nfs/dbraw/zinc/67/13/63/998671363.db2.gz JTEVSGWCHWORNI-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP O=C(C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000478023043 998718572 /nfs/dbraw/zinc/71/85/72/998718572.db2.gz IPSBKCOFAHUNEB-UHFFFAOYSA-N 2 2 407.480 3.538 20 0 HHADLP O=C(C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000478023043 998718575 /nfs/dbraw/zinc/71/85/75/998718575.db2.gz IPSBKCOFAHUNEB-UHFFFAOYSA-N 2 2 407.480 3.538 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486976043 999024736 /nfs/dbraw/zinc/02/47/36/999024736.db2.gz RCUBPGVQBXBRRF-IBGZPJMESA-N 2 2 416.585 3.663 20 0 HHADLP CC(C)CCn1ncc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C(C)C ZINC000487606371 999226874 /nfs/dbraw/zinc/22/68/74/999226874.db2.gz PBBYRQXHCBQVKM-UHFFFAOYSA-N 2 2 406.619 3.542 20 0 HHADLP CC(C)CCn1ncc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C(C)C ZINC000487606371 999226876 /nfs/dbraw/zinc/22/68/76/999226876.db2.gz PBBYRQXHCBQVKM-UHFFFAOYSA-N 2 2 406.619 3.542 20 0 HHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479341838 999394222 /nfs/dbraw/zinc/39/42/22/999394222.db2.gz GDRVSFNDBPPNGQ-AHRSYUTCSA-N 2 2 422.976 3.884 20 0 HHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479375983 999410921 /nfs/dbraw/zinc/41/09/21/999410921.db2.gz DKUDXSKYRZRGEA-UWVAXJGDSA-N 2 2 422.976 3.884 20 0 HHADLP CC[N@H+](CCc1cccs1)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000488327484 999441993 /nfs/dbraw/zinc/44/19/93/999441993.db2.gz SZOLNEGLYXJIME-UHFFFAOYSA-N 2 2 406.621 3.940 20 0 HHADLP CC[N@@H+](CCc1cccs1)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000488327484 999441994 /nfs/dbraw/zinc/44/19/94/999441994.db2.gz SZOLNEGLYXJIME-UHFFFAOYSA-N 2 2 406.621 3.940 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(Cc4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000488502312 999509714 /nfs/dbraw/zinc/50/97/14/999509714.db2.gz MRSWXXFINUFEKD-UHFFFAOYSA-N 2 2 419.013 3.663 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488576571 999533351 /nfs/dbraw/zinc/53/33/51/999533351.db2.gz JQRPUNLEBNTYKW-HSZRJFAPSA-N 2 2 417.557 3.590 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488576574 999533378 /nfs/dbraw/zinc/53/33/78/999533378.db2.gz JQRPUNLEBNTYKW-QHCPKHFHSA-N 2 2 417.557 3.590 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786665 999592423 /nfs/dbraw/zinc/59/24/23/999592423.db2.gz SUGPKQAAEBNQLR-NHCUHLMSSA-N 2 2 408.537 3.521 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786665 999592431 /nfs/dbraw/zinc/59/24/31/999592431.db2.gz SUGPKQAAEBNQLR-NHCUHLMSSA-N 2 2 408.537 3.521 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786669 999592508 /nfs/dbraw/zinc/59/25/08/999592508.db2.gz SUGPKQAAEBNQLR-SFTDATJTSA-N 2 2 408.537 3.521 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786669 999592513 /nfs/dbraw/zinc/59/25/13/999592513.db2.gz SUGPKQAAEBNQLR-SFTDATJTSA-N 2 2 408.537 3.521 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840037 999619966 /nfs/dbraw/zinc/61/99/66/999619966.db2.gz SAEVHSFLDZBHKO-VXKWHMMOSA-N 2 2 416.516 3.661 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840037 999619967 /nfs/dbraw/zinc/61/99/67/999619967.db2.gz SAEVHSFLDZBHKO-VXKWHMMOSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840037 999619970 /nfs/dbraw/zinc/61/99/70/999619970.db2.gz SAEVHSFLDZBHKO-VXKWHMMOSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840037 999619973 /nfs/dbraw/zinc/61/99/73/999619973.db2.gz SAEVHSFLDZBHKO-VXKWHMMOSA-N 2 2 416.516 3.661 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489058480 999685108 /nfs/dbraw/zinc/68/51/08/999685108.db2.gz DQGHQQQWICGCRC-SQJMNOBHSA-N 2 2 421.589 3.525 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058480 999685116 /nfs/dbraw/zinc/68/51/16/999685116.db2.gz DQGHQQQWICGCRC-SQJMNOBHSA-N 2 2 421.589 3.525 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000489258882 999732059 /nfs/dbraw/zinc/73/20/59/999732059.db2.gz TYWQHQPDJIOZST-PMACEKPBSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000489258882 999732061 /nfs/dbraw/zinc/73/20/61/999732061.db2.gz TYWQHQPDJIOZST-PMACEKPBSA-N 2 2 406.574 3.986 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278698 999735671 /nfs/dbraw/zinc/73/56/71/999735671.db2.gz OUROQDJYYRFVBV-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278698 999735672 /nfs/dbraw/zinc/73/56/72/999735672.db2.gz OUROQDJYYRFVBV-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489284246 999736889 /nfs/dbraw/zinc/73/68/89/999736889.db2.gz AUFREYQWWNODCU-QFIPXVFZSA-N 2 2 410.537 3.955 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000489284246 999736890 /nfs/dbraw/zinc/73/68/90/999736890.db2.gz AUFREYQWWNODCU-QFIPXVFZSA-N 2 2 410.537 3.955 20 0 HHADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000489309591 999743039 /nfs/dbraw/zinc/74/30/39/999743039.db2.gz AGBZGJWJVKDFFA-UHFFFAOYSA-N 2 2 409.921 3.659 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000489419322 999763344 /nfs/dbraw/zinc/76/33/44/999763344.db2.gz CLYAIWSAZWCJOJ-NRFANRHFSA-N 2 2 424.589 3.512 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000489419322 999763347 /nfs/dbraw/zinc/76/33/47/999763347.db2.gz CLYAIWSAZWCJOJ-NRFANRHFSA-N 2 2 424.589 3.512 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000489420453 999763631 /nfs/dbraw/zinc/76/36/31/999763631.db2.gz GVTHNOZJQVIAMT-OAQYLSRUSA-N 2 2 408.590 3.975 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000489420453 999763633 /nfs/dbraw/zinc/76/36/33/999763633.db2.gz GVTHNOZJQVIAMT-OAQYLSRUSA-N 2 2 408.590 3.975 20 0 HHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCCO2 ZINC000480605561 999838903 /nfs/dbraw/zinc/83/89/03/999838903.db2.gz WLAFPWTYQOPXBP-HSZRJFAPSA-N 2 2 407.558 3.695 20 0 HHADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c(C)c2c1 ZINC000480636785 999847595 /nfs/dbraw/zinc/84/75/95/999847595.db2.gz YQVSAVDQHPECRY-GOSISDBHSA-N 2 2 421.541 3.988 20 0 HHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1Br ZINC000480705171 999863959 /nfs/dbraw/zinc/86/39/59/999863959.db2.gz MMOFXQKFYMXOJS-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490152352 999901012 /nfs/dbraw/zinc/90/10/12/999901012.db2.gz MWNNACGOOIUILI-XZOQPEGZSA-N 2 2 423.605 3.573 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490152352 999901015 /nfs/dbraw/zinc/90/10/15/999901015.db2.gz MWNNACGOOIUILI-XZOQPEGZSA-N 2 2 423.605 3.573 20 0 HHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191077 999907896 /nfs/dbraw/zinc/90/78/96/999907896.db2.gz PHNATEWWDZEALU-MHECFPHRSA-N 2 2 408.521 3.659 20 0 HHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191077 999907900 /nfs/dbraw/zinc/90/79/00/999907900.db2.gz PHNATEWWDZEALU-MHECFPHRSA-N 2 2 408.521 3.659 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237116 999917842 /nfs/dbraw/zinc/91/78/42/999917842.db2.gz BYWHXVYBAQXVMT-CTNGQTDRSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237116 999917844 /nfs/dbraw/zinc/91/78/44/999917844.db2.gz BYWHXVYBAQXVMT-CTNGQTDRSA-N 2 2 422.598 3.903 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000491022345 1000034853 /nfs/dbraw/zinc/03/48/53/1000034853.db2.gz PTLRIFAXOOWILS-LAUBAEHRSA-N 2 2 402.380 3.764 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)c2ccccc2C1 ZINC000492140173 1000111173 /nfs/dbraw/zinc/11/11/73/1000111173.db2.gz GLTRVWCOKLGDCJ-QFIPXVFZSA-N 2 2 401.620 3.821 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000493007041 1000153936 /nfs/dbraw/zinc/15/39/36/1000153936.db2.gz GHKJHJHXPVXQDE-QHCPKHFHSA-N 2 2 419.972 3.548 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccc(F)cc2)c1 ZINC000493252779 1000165592 /nfs/dbraw/zinc/16/55/92/1000165592.db2.gz WMIJUNNKADVMGB-QFIPXVFZSA-N 2 2 413.518 3.805 20 0 HHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151489 1000580922 /nfs/dbraw/zinc/58/09/22/1000580922.db2.gz QGNNBDHWVCPRKV-IBGZPJMESA-N 2 2 401.514 3.800 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000505152295 1000581445 /nfs/dbraw/zinc/58/14/45/1000581445.db2.gz WPUIFNLWOXYRDC-NRFANRHFSA-N 2 2 424.589 3.960 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333518 1000708123 /nfs/dbraw/zinc/70/81/23/1000708123.db2.gz NUGKPJZWFUZDQX-YLJYHZDGSA-N 2 2 422.411 3.776 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333518 1000708128 /nfs/dbraw/zinc/70/81/28/1000708128.db2.gz NUGKPJZWFUZDQX-YLJYHZDGSA-N 2 2 422.411 3.776 20 0 HHADLP COc1ccc(-c2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2C)cc1 ZINC000495788669 1001076747 /nfs/dbraw/zinc/07/67/47/1001076747.db2.gz LRTHCJWDPNEODG-UHFFFAOYSA-N 2 2 415.603 3.830 20 0 HHADLP COc1ccc(-c2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2C)cc1 ZINC000495788669 1001076753 /nfs/dbraw/zinc/07/67/53/1001076753.db2.gz LRTHCJWDPNEODG-UHFFFAOYSA-N 2 2 415.603 3.830 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471128 1001384190 /nfs/dbraw/zinc/38/41/90/1001384190.db2.gz RUWJUYZYGPZMCS-TZIWHRDSSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471128 1001384195 /nfs/dbraw/zinc/38/41/95/1001384195.db2.gz RUWJUYZYGPZMCS-TZIWHRDSSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471127 1001384261 /nfs/dbraw/zinc/38/42/61/1001384261.db2.gz RUWJUYZYGPZMCS-PZJWPPBQSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497471127 1001384264 /nfs/dbraw/zinc/38/42/64/1001384264.db2.gz RUWJUYZYGPZMCS-PZJWPPBQSA-N 2 2 413.468 3.948 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000506464914 1001424998 /nfs/dbraw/zinc/42/49/98/1001424998.db2.gz FKNKYIVQIXJLDS-TXTKFYIRSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000506464914 1001425002 /nfs/dbraw/zinc/42/50/02/1001425002.db2.gz FKNKYIVQIXJLDS-TXTKFYIRSA-N 2 2 406.574 3.845 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498127054 1001652916 /nfs/dbraw/zinc/65/29/16/1001652916.db2.gz NEFYKDLADHKJSQ-ZVDOUQERSA-N 2 2 420.504 3.684 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498127054 1001652919 /nfs/dbraw/zinc/65/29/19/1001652919.db2.gz NEFYKDLADHKJSQ-ZVDOUQERSA-N 2 2 420.504 3.684 20 0 HHADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507100405 1001808860 /nfs/dbraw/zinc/80/88/60/1001808860.db2.gz GILCOMFPCVWUFE-QFIPXVFZSA-N 2 2 421.589 3.557 20 0 HHADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507100405 1001808872 /nfs/dbraw/zinc/80/88/72/1001808872.db2.gz GILCOMFPCVWUFE-QFIPXVFZSA-N 2 2 421.589 3.557 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000507230658 1001917415 /nfs/dbraw/zinc/91/74/15/1001917415.db2.gz IZBLDMZBUZZDSP-QUCCMNQESA-N 2 2 413.566 3.785 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000498699974 1002085602 /nfs/dbraw/zinc/08/56/02/1002085602.db2.gz CFPCIEHPOCDPLK-TZIWHRDSSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000498699974 1002085616 /nfs/dbraw/zinc/08/56/16/1002085616.db2.gz CFPCIEHPOCDPLK-TZIWHRDSSA-N 2 2 410.562 3.759 20 0 HHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000507505614 1002117553 /nfs/dbraw/zinc/11/75/53/1002117553.db2.gz FIOXYPDZRDFICB-HNNXBMFYSA-N 2 2 412.418 3.863 20 0 HHADLP C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499037529 1002416673 /nfs/dbraw/zinc/41/66/73/1002416673.db2.gz MFBOIHUUQBDADR-MRXNPFEDSA-N 2 2 401.601 3.855 20 0 HHADLP C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499037529 1002416682 /nfs/dbraw/zinc/41/66/82/1002416682.db2.gz MFBOIHUUQBDADR-MRXNPFEDSA-N 2 2 401.601 3.855 20 0 HHADLP Cn1ccnc1[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000507897827 1002431097 /nfs/dbraw/zinc/43/10/97/1002431097.db2.gz JMKWJIFSVXGHMV-UTKZUKDTSA-N 2 2 410.953 3.810 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)cc1 ZINC000499676852 1003032230 /nfs/dbraw/zinc/03/22/30/1003032230.db2.gz FDZIUDGMMGZQOY-SIKLNZKXSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)cc1 ZINC000499676852 1003032242 /nfs/dbraw/zinc/03/22/42/1003032242.db2.gz FDZIUDGMMGZQOY-SIKLNZKXSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000499760060 1003099455 /nfs/dbraw/zinc/09/94/55/1003099455.db2.gz MALJXFXLKZSRAG-SFTDATJTSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000499760060 1003099467 /nfs/dbraw/zinc/09/94/67/1003099467.db2.gz MALJXFXLKZSRAG-SFTDATJTSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000499764089 1003102524 /nfs/dbraw/zinc/10/25/24/1003102524.db2.gz PTWIIUYVINGJAV-SFTDATJTSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000499764089 1003102534 /nfs/dbraw/zinc/10/25/34/1003102534.db2.gz PTWIIUYVINGJAV-SFTDATJTSA-N 2 2 421.589 3.663 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898656 1003330489 /nfs/dbraw/zinc/33/04/89/1003330489.db2.gz QWBCGJURJVETQJ-VCOUNFBDSA-N 2 2 409.578 3.800 20 0 HHADLP O=C(Nc1cccc(F)c1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509340720 1003717196 /nfs/dbraw/zinc/71/71/96/1003717196.db2.gz GYMJWDUMBFSLEU-UHFFFAOYSA-N 2 2 424.564 3.689 20 0 HHADLP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511821730 1003791416 /nfs/dbraw/zinc/79/14/16/1003791416.db2.gz FFSCCOYTRRDXLQ-FQEVSTJZSA-N 2 2 405.546 3.547 20 0 HHADLP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511821730 1003791422 /nfs/dbraw/zinc/79/14/22/1003791422.db2.gz FFSCCOYTRRDXLQ-FQEVSTJZSA-N 2 2 405.546 3.547 20 0 HHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830916 1003803059 /nfs/dbraw/zinc/80/30/59/1003803059.db2.gz FBSIKYSLNUGTOO-VQTJNVASSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830916 1003803089 /nfs/dbraw/zinc/80/30/89/1003803089.db2.gz FBSIKYSLNUGTOO-VQTJNVASSA-N 2 2 405.464 3.699 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000500704163 1003906914 /nfs/dbraw/zinc/90/69/14/1003906914.db2.gz ZMCPITMDZFMAOK-WOJBJXKFSA-N 2 2 423.605 3.739 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901352 1004039643 /nfs/dbraw/zinc/03/96/43/1004039643.db2.gz UNNSEMWHEMBUBA-RTWAWAEBSA-N 2 2 424.992 3.988 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901352 1004039655 /nfs/dbraw/zinc/03/96/55/1004039655.db2.gz UNNSEMWHEMBUBA-RTWAWAEBSA-N 2 2 424.992 3.988 20 0 HHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154085 1004062031 /nfs/dbraw/zinc/06/20/31/1004062031.db2.gz WYHILPOICLMKMX-PXDATVDWSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154085 1004062040 /nfs/dbraw/zinc/06/20/40/1004062040.db2.gz WYHILPOICLMKMX-PXDATVDWSA-N 2 2 421.585 3.608 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178427 1004080623 /nfs/dbraw/zinc/08/06/23/1004080623.db2.gz AGUVKODMYNGESK-LEWJYISDSA-N 2 2 409.578 3.610 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178427 1004080627 /nfs/dbraw/zinc/08/06/27/1004080627.db2.gz AGUVKODMYNGESK-LEWJYISDSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198960 1004100532 /nfs/dbraw/zinc/10/05/32/1004100532.db2.gz BMGPQHSIMPHITC-RBBKRZOGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198960 1004100536 /nfs/dbraw/zinc/10/05/36/1004100536.db2.gz BMGPQHSIMPHITC-RBBKRZOGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198960 1004100542 /nfs/dbraw/zinc/10/05/42/1004100542.db2.gz BMGPQHSIMPHITC-RBBKRZOGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198960 1004100545 /nfs/dbraw/zinc/10/05/45/1004100545.db2.gz BMGPQHSIMPHITC-RBBKRZOGSA-N 2 2 413.606 3.678 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501022925 1004125888 /nfs/dbraw/zinc/12/58/88/1004125888.db2.gz KWJJDYIMJMPMGR-CEXWTWQISA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501022925 1004125894 /nfs/dbraw/zinc/12/58/94/1004125894.db2.gz KWJJDYIMJMPMGR-CEXWTWQISA-N 2 2 408.949 3.542 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237729 1004139027 /nfs/dbraw/zinc/13/90/27/1004139027.db2.gz VKEPEGMKILOGMH-HFZDXXHNSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237729 1004139040 /nfs/dbraw/zinc/13/90/40/1004139040.db2.gz VKEPEGMKILOGMH-HFZDXXHNSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237729 1004139047 /nfs/dbraw/zinc/13/90/47/1004139047.db2.gz VKEPEGMKILOGMH-HFZDXXHNSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237729 1004139052 /nfs/dbraw/zinc/13/90/52/1004139052.db2.gz VKEPEGMKILOGMH-HFZDXXHNSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242035 1004145226 /nfs/dbraw/zinc/14/52/26/1004145226.db2.gz IHNPEBFRYAXFQD-CYFREDJKSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242035 1004145232 /nfs/dbraw/zinc/14/52/32/1004145232.db2.gz IHNPEBFRYAXFQD-CYFREDJKSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512242035 1004145238 /nfs/dbraw/zinc/14/52/38/1004145238.db2.gz IHNPEBFRYAXFQD-CYFREDJKSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512242035 1004145244 /nfs/dbraw/zinc/14/52/44/1004145244.db2.gz IHNPEBFRYAXFQD-CYFREDJKSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848082 1004145877 /nfs/dbraw/zinc/14/58/77/1004145877.db2.gz AZKKITHVCGWILZ-ZRCGQRJVSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848082 1004145886 /nfs/dbraw/zinc/14/58/86/1004145886.db2.gz AZKKITHVCGWILZ-ZRCGQRJVSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848082 1004145890 /nfs/dbraw/zinc/14/58/90/1004145890.db2.gz AZKKITHVCGWILZ-ZRCGQRJVSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848082 1004145896 /nfs/dbraw/zinc/14/58/96/1004145896.db2.gz AZKKITHVCGWILZ-ZRCGQRJVSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293644 1004197002 /nfs/dbraw/zinc/19/70/02/1004197002.db2.gz SZCBLDVLCIFWNL-RLSLOFABSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293644 1004197005 /nfs/dbraw/zinc/19/70/05/1004197005.db2.gz SZCBLDVLCIFWNL-RLSLOFABSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293644 1004197010 /nfs/dbraw/zinc/19/70/10/1004197010.db2.gz SZCBLDVLCIFWNL-RLSLOFABSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293644 1004197013 /nfs/dbraw/zinc/19/70/13/1004197013.db2.gz SZCBLDVLCIFWNL-RLSLOFABSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000509908557 1004201183 /nfs/dbraw/zinc/20/11/83/1004201183.db2.gz IJDHDEYWUNBMSW-IGBVOLGGSA-N 2 2 422.013 3.856 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000509908557 1004201191 /nfs/dbraw/zinc/20/11/91/1004201191.db2.gz IJDHDEYWUNBMSW-IGBVOLGGSA-N 2 2 422.013 3.856 20 0 HHADLP COc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359068 1004244949 /nfs/dbraw/zinc/24/49/49/1004244949.db2.gz AIRPKYBCZXLABE-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP COc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359068 1004244959 /nfs/dbraw/zinc/24/49/59/1004244959.db2.gz AIRPKYBCZXLABE-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP C[NH+](C)CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000510004848 1004259486 /nfs/dbraw/zinc/25/94/86/1004259486.db2.gz IAFOVQHYUQPSOW-UHFFFAOYSA-N 2 2 411.522 3.508 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000510016877 1004267262 /nfs/dbraw/zinc/26/72/62/1004267262.db2.gz ZNDOIVVNYSGKQK-VXKWHMMOSA-N 2 2 415.965 3.905 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000510016876 1004267506 /nfs/dbraw/zinc/26/75/06/1004267506.db2.gz ZNDOIVVNYSGKQK-FGZHOGPDSA-N 2 2 415.965 3.905 20 0 HHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000512403925 1004274186 /nfs/dbraw/zinc/27/41/86/1004274186.db2.gz CYBVFGPATAQJAX-UHFFFAOYSA-N 2 2 402.542 3.799 20 0 HHADLP COC(=O)c1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213167 1004284176 /nfs/dbraw/zinc/28/41/76/1004284176.db2.gz YQLDAKLSMFEKGB-JPYJTQIMSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213167 1004284186 /nfs/dbraw/zinc/28/41/86/1004284186.db2.gz YQLDAKLSMFEKGB-JPYJTQIMSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213167 1004284194 /nfs/dbraw/zinc/28/41/94/1004284194.db2.gz YQLDAKLSMFEKGB-JPYJTQIMSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213167 1004284205 /nfs/dbraw/zinc/28/42/05/1004284205.db2.gz YQLDAKLSMFEKGB-JPYJTQIMSA-N 2 2 424.541 3.745 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000501328190 1004351249 /nfs/dbraw/zinc/35/12/49/1004351249.db2.gz OGVTWNIDZJYBPY-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000501328190 1004351260 /nfs/dbraw/zinc/35/12/60/1004351260.db2.gz OGVTWNIDZJYBPY-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Br)c1 ZINC000510187342 1004384084 /nfs/dbraw/zinc/38/40/84/1004384084.db2.gz XGGJPVSRXNLBOI-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP CCC[N@H+](CC(=O)Nc1ccccc1C(C)=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247664 1004423620 /nfs/dbraw/zinc/42/36/20/1004423620.db2.gz ZCGXCJHKOKNBLC-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247664 1004423627 /nfs/dbraw/zinc/42/36/27/1004423627.db2.gz ZCGXCJHKOKNBLC-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP CCC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510248296 1004424272 /nfs/dbraw/zinc/42/42/72/1004424272.db2.gz GRIUAFXAVUMCNJ-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510248296 1004424278 /nfs/dbraw/zinc/42/42/78/1004424278.db2.gz GRIUAFXAVUMCNJ-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000512612745 1004426546 /nfs/dbraw/zinc/42/65/46/1004426546.db2.gz IQBRBLXZJSPUJR-UHFFFAOYSA-N 2 2 400.611 3.601 20 0 HHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483442 1004455011 /nfs/dbraw/zinc/45/50/11/1004455011.db2.gz IJGWJGNLSWIWBW-PMACEKPBSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483442 1004455017 /nfs/dbraw/zinc/45/50/17/1004455017.db2.gz IJGWJGNLSWIWBW-PMACEKPBSA-N 2 2 407.599 3.957 20 0 HHADLP C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328608 1004485357 /nfs/dbraw/zinc/48/53/57/1004485357.db2.gz CUDCRXIQQUBACQ-MSOLQXFVSA-N 2 2 418.557 3.842 20 0 HHADLP C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328608 1004485364 /nfs/dbraw/zinc/48/53/64/1004485364.db2.gz CUDCRXIQQUBACQ-MSOLQXFVSA-N 2 2 418.557 3.842 20 0 HHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512692828 1004499071 /nfs/dbraw/zinc/49/90/71/1004499071.db2.gz ICNPDWIRDCEYRH-OALUTQOASA-N 2 2 413.585 3.619 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000512711929 1004511326 /nfs/dbraw/zinc/51/13/26/1004511326.db2.gz LZECVZNCOAPZJZ-UHFFFAOYSA-N 2 2 414.619 3.516 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000512711929 1004511331 /nfs/dbraw/zinc/51/13/31/1004511331.db2.gz LZECVZNCOAPZJZ-UHFFFAOYSA-N 2 2 414.619 3.516 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510443958 1004571448 /nfs/dbraw/zinc/57/14/48/1004571448.db2.gz VUCMAOXRLUZTDE-QHCPKHFHSA-N 2 2 400.526 3.722 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510443958 1004571458 /nfs/dbraw/zinc/57/14/58/1004571458.db2.gz VUCMAOXRLUZTDE-QHCPKHFHSA-N 2 2 400.526 3.722 20 0 HHADLP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000510487183 1004604250 /nfs/dbraw/zinc/60/42/50/1004604250.db2.gz CLBKQEKGBTZLJX-UHFFFAOYSA-N 2 2 419.529 3.505 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501770135 1004708332 /nfs/dbraw/zinc/70/83/32/1004708332.db2.gz MWUHQTDGLMXQGN-UHFFFAOYSA-N 2 2 406.596 3.584 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501770135 1004708341 /nfs/dbraw/zinc/70/83/41/1004708341.db2.gz MWUHQTDGLMXQGN-UHFFFAOYSA-N 2 2 406.596 3.584 20 0 HHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510576584 1004723468 /nfs/dbraw/zinc/72/34/68/1004723468.db2.gz DKYDODHYRWVZRU-FYQPLNBISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510576584 1004723475 /nfs/dbraw/zinc/72/34/75/1004723475.db2.gz DKYDODHYRWVZRU-FYQPLNBISA-N 2 2 402.583 3.538 20 0 HHADLP Clc1ccccc1N1CCN(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000513052933 1004780451 /nfs/dbraw/zinc/78/04/51/1004780451.db2.gz UNGNKXLOFSIYMS-UHFFFAOYSA-N 2 2 413.997 3.506 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513492086 1004989040 /nfs/dbraw/zinc/98/90/40/1004989040.db2.gz YBCLUJLZTCQPNS-UHFFFAOYSA-N 2 2 421.585 3.688 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513492086 1004989045 /nfs/dbraw/zinc/98/90/45/1004989045.db2.gz YBCLUJLZTCQPNS-UHFFFAOYSA-N 2 2 421.585 3.688 20 0 HHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000502349119 1005027316 /nfs/dbraw/zinc/02/73/16/1005027316.db2.gz SCGMJANNYFOTER-JOCHJYFZSA-N 2 2 411.525 3.987 20 0 HHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000502349119 1005027323 /nfs/dbraw/zinc/02/73/23/1005027323.db2.gz SCGMJANNYFOTER-JOCHJYFZSA-N 2 2 411.525 3.987 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000511139367 1005040547 /nfs/dbraw/zinc/04/05/47/1005040547.db2.gz UWNDUOAWMBMJIO-UHFFFAOYSA-N 2 2 409.574 3.755 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000511139367 1005040555 /nfs/dbraw/zinc/04/05/55/1005040555.db2.gz UWNDUOAWMBMJIO-UHFFFAOYSA-N 2 2 409.574 3.755 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387437 1005050753 /nfs/dbraw/zinc/05/07/53/1005050753.db2.gz SNSGYPOORMWLIH-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387437 1005050757 /nfs/dbraw/zinc/05/07/57/1005050757.db2.gz SNSGYPOORMWLIH-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387437 1005050762 /nfs/dbraw/zinc/05/07/62/1005050762.db2.gz SNSGYPOORMWLIH-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387437 1005050765 /nfs/dbraw/zinc/05/07/65/1005050765.db2.gz SNSGYPOORMWLIH-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000511246814 1005089733 /nfs/dbraw/zinc/08/97/33/1005089733.db2.gz HLEKTKZLHJOUPD-RTBURBONSA-N 2 2 418.651 3.791 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000511246814 1005089740 /nfs/dbraw/zinc/08/97/40/1005089740.db2.gz HLEKTKZLHJOUPD-RTBURBONSA-N 2 2 418.651 3.791 20 0 HHADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000513737272 1005103105 /nfs/dbraw/zinc/10/31/05/1005103105.db2.gz ZCENUYPNWXDQTB-UHFFFAOYSA-N 2 2 417.513 3.760 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4ccc(C(C)(C)C)cc4C3)CC2)CC1 ZINC000511417011 1005167225 /nfs/dbraw/zinc/16/72/25/1005167225.db2.gz GQXOYKBJEZUZSK-UHFFFAOYSA-N 2 2 412.622 3.610 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502670816 1005171786 /nfs/dbraw/zinc/17/17/86/1005171786.db2.gz ROPFATYSMZQQOB-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502787069 1005217436 /nfs/dbraw/zinc/21/74/36/1005217436.db2.gz AATGNTPORYPKTR-HXUWFJFHSA-N 2 2 420.667 3.842 20 0 HHADLP CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502787069 1005217440 /nfs/dbraw/zinc/21/74/40/1005217440.db2.gz AATGNTPORYPKTR-HXUWFJFHSA-N 2 2 420.667 3.842 20 0 HHADLP Cc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc2)cc1 ZINC000514065920 1005251288 /nfs/dbraw/zinc/25/12/88/1005251288.db2.gz HFDSHDQEBYAUNS-VWLOTQADSA-N 2 2 420.601 3.942 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000502958756 1005292452 /nfs/dbraw/zinc/29/24/52/1005292452.db2.gz IPEWUVLEHALAOT-FQEVSTJZSA-N 2 2 419.573 3.903 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000514214397 1005316800 /nfs/dbraw/zinc/31/68/00/1005316800.db2.gz MYLLSPSNRYUEAA-HNAYVOBHSA-N 2 2 421.948 3.756 20 0 HHADLP O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000503038552 1005324065 /nfs/dbraw/zinc/32/40/65/1005324065.db2.gz LNPXRBHCWBQZBR-UHFFFAOYSA-N 2 2 424.511 3.550 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2)cc1 ZINC000511789583 1005329033 /nfs/dbraw/zinc/32/90/33/1005329033.db2.gz XEOIGUKAMVTSFW-BKKFENPESA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2)cc1 ZINC000511789583 1005329036 /nfs/dbraw/zinc/32/90/36/1005329036.db2.gz XEOIGUKAMVTSFW-BKKFENPESA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2)cc1 ZINC000511789583 1005329039 /nfs/dbraw/zinc/32/90/39/1005329039.db2.gz XEOIGUKAMVTSFW-BKKFENPESA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2)cc1 ZINC000511789583 1005329042 /nfs/dbraw/zinc/32/90/42/1005329042.db2.gz XEOIGUKAMVTSFW-BKKFENPESA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2)cc1 ZINC000511789586 1005329280 /nfs/dbraw/zinc/32/92/80/1005329280.db2.gz XEOIGUKAMVTSFW-ROXDYWFKSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2)cc1 ZINC000511789586 1005329283 /nfs/dbraw/zinc/32/92/83/1005329283.db2.gz XEOIGUKAMVTSFW-ROXDYWFKSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2)cc1 ZINC000511789586 1005329289 /nfs/dbraw/zinc/32/92/89/1005329289.db2.gz XEOIGUKAMVTSFW-ROXDYWFKSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2)cc1 ZINC000511789586 1005329293 /nfs/dbraw/zinc/32/92/93/1005329293.db2.gz XEOIGUKAMVTSFW-ROXDYWFKSA-N 2 2 406.570 3.782 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000503067990 1005336055 /nfs/dbraw/zinc/33/60/55/1005336055.db2.gz VVPKWYMVMMTEOZ-QGZVFWFLSA-N 2 2 409.509 3.940 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503074786 1005339297 /nfs/dbraw/zinc/33/92/97/1005339297.db2.gz RYJTWUQZBFKNSR-JXFKEZNVSA-N 2 2 412.921 3.996 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503074786 1005339301 /nfs/dbraw/zinc/33/93/01/1005339301.db2.gz RYJTWUQZBFKNSR-JXFKEZNVSA-N 2 2 412.921 3.996 20 0 HHADLP CCCC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000503298425 1005385983 /nfs/dbraw/zinc/38/59/83/1005385983.db2.gz CEIZQVGLOJLNEL-HSZRJFAPSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372141 1005400612 /nfs/dbraw/zinc/40/06/12/1005400612.db2.gz UGHBURANMLEYED-WOUKOJEXSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372141 1005400615 /nfs/dbraw/zinc/40/06/15/1005400615.db2.gz UGHBURANMLEYED-WOUKOJEXSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379249 1005402973 /nfs/dbraw/zinc/40/29/73/1005402973.db2.gz UVOCEJSTIYJDHY-FUHWJXTLSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379249 1005402976 /nfs/dbraw/zinc/40/29/76/1005402976.db2.gz UVOCEJSTIYJDHY-FUHWJXTLSA-N 2 2 400.954 3.757 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411226 1005412187 /nfs/dbraw/zinc/41/21/87/1005412187.db2.gz CZHKGVNQEFMBPI-HKUYNNGSSA-N 2 2 403.954 3.801 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411226 1005412189 /nfs/dbraw/zinc/41/21/89/1005412189.db2.gz CZHKGVNQEFMBPI-HKUYNNGSSA-N 2 2 403.954 3.801 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503412392 1005412373 /nfs/dbraw/zinc/41/23/73/1005412373.db2.gz BAOARKWZKSGCLQ-HXUWFJFHSA-N 2 2 413.541 3.809 20 0 HHADLP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428671 1005417433 /nfs/dbraw/zinc/41/74/33/1005417433.db2.gz HNKNWBGPPSSOJT-ODGPQVTHSA-N 2 2 409.574 3.854 20 0 HHADLP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428671 1005417436 /nfs/dbraw/zinc/41/74/36/1005417436.db2.gz HNKNWBGPPSSOJT-ODGPQVTHSA-N 2 2 409.574 3.854 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503436962 1005420071 /nfs/dbraw/zinc/42/00/71/1005420071.db2.gz DUOGXNFWMLXRQE-OAQYLSRUSA-N 2 2 406.574 3.898 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503436962 1005420074 /nfs/dbraw/zinc/42/00/74/1005420074.db2.gz DUOGXNFWMLXRQE-OAQYLSRUSA-N 2 2 406.574 3.898 20 0 HHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437805 1005420454 /nfs/dbraw/zinc/42/04/54/1005420454.db2.gz YFONHBFJPHOPFW-QZTJIDSGSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437805 1005420457 /nfs/dbraw/zinc/42/04/57/1005420457.db2.gz YFONHBFJPHOPFW-QZTJIDSGSA-N 2 2 403.530 3.974 20 0 HHADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503738263 1005487802 /nfs/dbraw/zinc/48/78/02/1005487802.db2.gz QWQGTDDZDQIODB-HXUWFJFHSA-N 2 2 424.589 3.652 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000504114565 1005555507 /nfs/dbraw/zinc/55/55/07/1005555507.db2.gz CBWBFROQKPRPED-UHFFFAOYSA-N 2 2 409.578 3.919 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccnc(-c3ccccc3)c2)([NH+]2CCCCC2)CC1 ZINC000504161570 1005564988 /nfs/dbraw/zinc/56/49/88/1005564988.db2.gz FWEFHPXKPHXUCU-UHFFFAOYSA-N 2 2 407.562 3.820 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NCCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000504288593 1005590096 /nfs/dbraw/zinc/59/00/96/1005590096.db2.gz GGVALTGYLAOREZ-GOSISDBHSA-N 2 2 401.580 3.718 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000514406699 1005975122 /nfs/dbraw/zinc/97/51/22/1005975122.db2.gz KSVSZLSMMCHVGP-FQEVSTJZSA-N 2 2 411.550 3.535 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534053885 1006023334 /nfs/dbraw/zinc/02/33/34/1006023334.db2.gz JNSKLLHVJPDWRA-ZVDOUQERSA-N 2 2 416.953 3.815 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534053885 1006023337 /nfs/dbraw/zinc/02/33/37/1006023337.db2.gz JNSKLLHVJPDWRA-ZVDOUQERSA-N 2 2 416.953 3.815 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000534204708 1006196694 /nfs/dbraw/zinc/19/66/94/1006196694.db2.gz LACUNNNTAAMLFD-QHCPKHFHSA-N 2 2 419.573 3.784 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000534204708 1006196698 /nfs/dbraw/zinc/19/66/98/1006196698.db2.gz LACUNNNTAAMLFD-QHCPKHFHSA-N 2 2 419.573 3.784 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236492 1006241401 /nfs/dbraw/zinc/24/14/01/1006241401.db2.gz RODUGMBYICMGHL-VQIMIIECSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236492 1006241411 /nfs/dbraw/zinc/24/14/11/1006241411.db2.gz RODUGMBYICMGHL-VQIMIIECSA-N 2 2 419.932 3.784 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358503 1006319952 /nfs/dbraw/zinc/31/99/52/1006319952.db2.gz CTIBYEVNKREPOE-DHIUTWEWSA-N 2 2 415.622 3.984 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358503 1006319982 /nfs/dbraw/zinc/31/99/82/1006319982.db2.gz CTIBYEVNKREPOE-DHIUTWEWSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358439 1006320939 /nfs/dbraw/zinc/32/09/39/1006320939.db2.gz KTXJZPUUZQOFKR-ZEQRLZLVSA-N 2 2 424.589 3.653 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358439 1006320946 /nfs/dbraw/zinc/32/09/46/1006320946.db2.gz KTXJZPUUZQOFKR-ZEQRLZLVSA-N 2 2 424.589 3.653 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360664 1006324732 /nfs/dbraw/zinc/32/47/32/1006324732.db2.gz OYRYDDZHNQQZDE-RTWAWAEBSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360664 1006324746 /nfs/dbraw/zinc/32/47/46/1006324746.db2.gz OYRYDDZHNQQZDE-RTWAWAEBSA-N 2 2 407.599 3.713 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360694 1006324980 /nfs/dbraw/zinc/32/49/80/1006324980.db2.gz PHFFSMDPUSLQEI-DHIUTWEWSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360694 1006324988 /nfs/dbraw/zinc/32/49/88/1006324988.db2.gz PHFFSMDPUSLQEI-DHIUTWEWSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361257 1006325260 /nfs/dbraw/zinc/32/52/60/1006325260.db2.gz WQCNVYTVPQIPQL-DHIUTWEWSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361257 1006325273 /nfs/dbraw/zinc/32/52/73/1006325273.db2.gz WQCNVYTVPQIPQL-DHIUTWEWSA-N 2 2 410.606 3.814 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361709 1006327452 /nfs/dbraw/zinc/32/74/52/1006327452.db2.gz RBHFBPZMCSPTBA-SVFBPWRDSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361709 1006327461 /nfs/dbraw/zinc/32/74/61/1006327461.db2.gz RBHFBPZMCSPTBA-SVFBPWRDSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361707 1006327830 /nfs/dbraw/zinc/32/78/30/1006327830.db2.gz RBHFBPZMCSPTBA-SBHAEUEKSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361707 1006327838 /nfs/dbraw/zinc/32/78/38/1006327838.db2.gz RBHFBPZMCSPTBA-SBHAEUEKSA-N 2 2 421.676 3.874 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677281 1006348814 /nfs/dbraw/zinc/34/88/14/1006348814.db2.gz FJSJWWNYBOPTEK-XMSQKQJNSA-N 3 2 409.603 3.882 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381914 1006352720 /nfs/dbraw/zinc/35/27/20/1006352720.db2.gz JZGGTSCERSADMW-QMMLZNLJSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381914 1006352737 /nfs/dbraw/zinc/35/27/37/1006352737.db2.gz JZGGTSCERSADMW-QMMLZNLJSA-N 2 2 422.976 3.884 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384532 1006356017 /nfs/dbraw/zinc/35/60/17/1006356017.db2.gz QGNWLKKSCNYTCM-NKKJXINNSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384532 1006356032 /nfs/dbraw/zinc/35/60/32/1006356032.db2.gz QGNWLKKSCNYTCM-NKKJXINNSA-N 2 2 414.638 3.905 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385196 1006358320 /nfs/dbraw/zinc/35/83/20/1006358320.db2.gz UFDRHWSXKWHWGD-FYZZASKESA-N 2 2 410.672 3.639 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385196 1006358335 /nfs/dbraw/zinc/35/83/35/1006358335.db2.gz UFDRHWSXKWHWGD-FYZZASKESA-N 2 2 410.672 3.639 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386273 1006359884 /nfs/dbraw/zinc/35/98/84/1006359884.db2.gz WMKPYQWFWPUKHU-PKTZIBPZSA-N 2 2 400.611 3.728 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386273 1006359892 /nfs/dbraw/zinc/35/98/92/1006359892.db2.gz WMKPYQWFWPUKHU-PKTZIBPZSA-N 2 2 400.611 3.728 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000534444281 1006424592 /nfs/dbraw/zinc/42/45/92/1006424592.db2.gz RRZHBUYWZOKTEV-HSZRJFAPSA-N 2 2 423.605 3.654 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000515471857 1006483981 /nfs/dbraw/zinc/48/39/81/1006483981.db2.gz HVGDMSLDXGGNIM-CUWPLCDZSA-N 2 2 401.576 3.615 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521240 1006516321 /nfs/dbraw/zinc/51/63/21/1006516321.db2.gz ZAHHPZVQPSTSRH-PXNSSMCTSA-N 2 2 415.607 3.669 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521240 1006516329 /nfs/dbraw/zinc/51/63/29/1006516329.db2.gz ZAHHPZVQPSTSRH-PXNSSMCTSA-N 2 2 415.607 3.669 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000534537980 1006529138 /nfs/dbraw/zinc/52/91/38/1006529138.db2.gz RHSOSXYAMYTMDP-XPWALMASSA-N 2 2 401.514 3.598 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000534537980 1006529149 /nfs/dbraw/zinc/52/91/49/1006529149.db2.gz RHSOSXYAMYTMDP-XPWALMASSA-N 2 2 401.514 3.598 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531946713 1006537229 /nfs/dbraw/zinc/53/72/29/1006537229.db2.gz LWWIDUVBISMGHA-HNNXBMFYSA-N 2 2 417.351 3.820 20 0 HHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000531958767 1006546761 /nfs/dbraw/zinc/54/67/61/1006546761.db2.gz ZBKRSYFMGSSCSE-OFVILXPXSA-N 2 2 403.574 3.571 20 0 HHADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531959021 1006547382 /nfs/dbraw/zinc/54/73/82/1006547382.db2.gz UXGKAOHIELHYEX-SFHVURJKSA-N 2 2 412.559 3.551 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965629 1006550328 /nfs/dbraw/zinc/55/03/28/1006550328.db2.gz IULGAGIYLCRUTO-GBXCKJPGSA-N 2 2 418.589 3.523 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccn(-c3ccc(OC)cc3)n2)CC1 ZINC000532041837 1006595328 /nfs/dbraw/zinc/59/53/28/1006595328.db2.gz WYDVMVDTZVVMHU-UHFFFAOYSA-N 2 2 419.573 3.703 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352037 1006619207 /nfs/dbraw/zinc/61/92/07/1006619207.db2.gz OREDEORHZWONCB-LEWJYISDSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352037 1006619214 /nfs/dbraw/zinc/61/92/14/1006619214.db2.gz OREDEORHZWONCB-LEWJYISDSA-N 2 2 412.582 3.672 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2CCC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000534668303 1006645311 /nfs/dbraw/zinc/64/53/11/1006645311.db2.gz SLLGWIJUFAFIHX-UHFFFAOYSA-N 2 2 411.512 3.862 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556708 1006818055 /nfs/dbraw/zinc/81/80/55/1006818055.db2.gz FKKFFWSMZVTNLE-IERDGZPVSA-N 2 2 408.550 3.679 20 0 HHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000532361748 1006820167 /nfs/dbraw/zinc/82/01/67/1006820167.db2.gz WWYNSDCNBXKZBY-OALUTQOASA-N 2 2 414.594 3.903 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590681 1006858020 /nfs/dbraw/zinc/85/80/20/1006858020.db2.gz RVYHPXMLOFMHDP-HYBUGGRVSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590681 1006858036 /nfs/dbraw/zinc/85/80/36/1006858036.db2.gz RVYHPXMLOFMHDP-HYBUGGRVSA-N 3 2 407.606 3.935 20 0 HHADLP CC(C)(C)OC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000534869887 1006896875 /nfs/dbraw/zinc/89/68/75/1006896875.db2.gz VUBNORYDZKIOOT-OAQYLSRUSA-N 2 2 422.013 3.873 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000538655308 1006928053 /nfs/dbraw/zinc/92/80/53/1006928053.db2.gz IZYLDEWOJAZUED-LJQANCHMSA-N 2 2 414.377 3.578 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929537 1006965988 /nfs/dbraw/zinc/96/59/88/1006965988.db2.gz CPDNMGAIOFDAKY-YADHBBJMSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929537 1006966002 /nfs/dbraw/zinc/96/60/02/1006966002.db2.gz CPDNMGAIOFDAKY-YADHBBJMSA-N 2 2 402.583 3.634 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2F)c1 ZINC000538709132 1006985322 /nfs/dbraw/zinc/98/53/22/1006985322.db2.gz OJQWPBNXNXVYLX-NRFANRHFSA-N 2 2 419.497 3.724 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516330982 1007021201 /nfs/dbraw/zinc/02/12/01/1007021201.db2.gz DGKKUJKYIJOPMN-XZOQPEGZSA-N 2 2 409.599 3.730 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749986 1007034998 /nfs/dbraw/zinc/03/49/98/1007034998.db2.gz RURMUVFPBNZQJN-KRWDZBQOSA-N 2 2 403.368 3.799 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749986 1007035005 /nfs/dbraw/zinc/03/50/05/1007035005.db2.gz RURMUVFPBNZQJN-KRWDZBQOSA-N 2 2 403.368 3.799 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749986 1007035014 /nfs/dbraw/zinc/03/50/14/1007035014.db2.gz RURMUVFPBNZQJN-KRWDZBQOSA-N 2 2 403.368 3.799 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749986 1007035030 /nfs/dbraw/zinc/03/50/30/1007035030.db2.gz RURMUVFPBNZQJN-KRWDZBQOSA-N 2 2 403.368 3.799 20 0 HHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c(C(C)(C)C)n2)cc1 ZINC000532628407 1007049864 /nfs/dbraw/zinc/04/98/64/1007049864.db2.gz RCWCLAQXETZYNZ-XZOQPEGZSA-N 2 2 410.606 3.946 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000532650245 1007067683 /nfs/dbraw/zinc/06/76/83/1007067683.db2.gz XADZUVXVKBNZCL-UHFFFAOYSA-N 2 2 407.543 3.915 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000532649538 1007067728 /nfs/dbraw/zinc/06/77/28/1007067728.db2.gz CDIXYZWCPVVKBV-UHFFFAOYSA-N 2 2 401.514 3.853 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095015 1007110994 /nfs/dbraw/zinc/11/09/94/1007110994.db2.gz NANLXLUHLXUEQP-IYSOMAHNSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095015 1007111000 /nfs/dbraw/zinc/11/10/00/1007111000.db2.gz NANLXLUHLXUEQP-IYSOMAHNSA-N 2 2 419.560 3.864 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097057 1007115331 /nfs/dbraw/zinc/11/53/31/1007115331.db2.gz XYLIQMFJCXZLFP-FGZHOGPDSA-N 2 2 419.585 3.563 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097057 1007115339 /nfs/dbraw/zinc/11/53/39/1007115339.db2.gz XYLIQMFJCXZLFP-FGZHOGPDSA-N 2 2 419.585 3.563 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097642 1007116994 /nfs/dbraw/zinc/11/69/94/1007116994.db2.gz XKUHOTSSGZVTDN-FCHUYYIVSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097642 1007117003 /nfs/dbraw/zinc/11/70/03/1007117003.db2.gz XKUHOTSSGZVTDN-FCHUYYIVSA-N 2 2 407.549 3.693 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112156 1007137766 /nfs/dbraw/zinc/13/77/66/1007137766.db2.gz QAOBXBRVLIKAFD-KDXIVRHGSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112156 1007137778 /nfs/dbraw/zinc/13/77/78/1007137778.db2.gz QAOBXBRVLIKAFD-KDXIVRHGSA-N 2 2 416.610 3.882 20 0 HHADLP CN(C(=O)N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122556 1007155790 /nfs/dbraw/zinc/15/57/90/1007155790.db2.gz SWQCCVGZSZRQGW-BHIYHBOVSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122556 1007155794 /nfs/dbraw/zinc/15/57/94/1007155794.db2.gz SWQCCVGZSZRQGW-BHIYHBOVSA-N 2 2 400.558 3.543 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000538879365 1007159111 /nfs/dbraw/zinc/15/91/11/1007159111.db2.gz QJHBQGNAXPIQMM-NRFANRHFSA-N 2 2 412.965 3.679 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000535190784 1007237557 /nfs/dbraw/zinc/23/75/57/1007237557.db2.gz MRELRUGIXSHXEJ-UHFFFAOYSA-N 2 2 411.638 3.943 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000532956693 1007322724 /nfs/dbraw/zinc/32/27/24/1007322724.db2.gz JAGOLZZOZDCXMD-BZSNNMDCSA-N 2 2 407.986 3.797 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000532956694 1007322894 /nfs/dbraw/zinc/32/28/94/1007322894.db2.gz JAGOLZZOZDCXMD-FGTMMUONSA-N 2 2 407.986 3.797 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000532956694 1007322905 /nfs/dbraw/zinc/32/29/05/1007322905.db2.gz JAGOLZZOZDCXMD-FGTMMUONSA-N 2 2 407.986 3.797 20 0 HHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000532957100 1007323267 /nfs/dbraw/zinc/32/32/67/1007323267.db2.gz DEUYWYBXIRIQLB-GASCZTMLSA-N 2 2 414.377 3.753 20 0 HHADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000532957100 1007323281 /nfs/dbraw/zinc/32/32/81/1007323281.db2.gz DEUYWYBXIRIQLB-GASCZTMLSA-N 2 2 414.377 3.753 20 0 HHADLP O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532982461 1007353675 /nfs/dbraw/zinc/35/36/75/1007353675.db2.gz NZSLHVBVWHNKFQ-FQEVSTJZSA-N 2 2 413.949 3.600 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532982461 1007353688 /nfs/dbraw/zinc/35/36/88/1007353688.db2.gz NZSLHVBVWHNKFQ-FQEVSTJZSA-N 2 2 413.949 3.600 20 0 HHADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000539067738 1007359818 /nfs/dbraw/zinc/35/98/18/1007359818.db2.gz JXGSLUWVBKFJAM-SFHVURJKSA-N 2 2 412.559 3.551 20 0 HHADLP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539078346 1007369650 /nfs/dbraw/zinc/36/96/50/1007369650.db2.gz OKLLBMLMXLJHBO-RJGXRXQPSA-N 2 2 421.589 3.598 20 0 HHADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)cc1 ZINC000539079004 1007369989 /nfs/dbraw/zinc/36/99/89/1007369989.db2.gz QGUXUMLCSULOLJ-PMACEKPBSA-N 2 2 415.969 3.676 20 0 HHADLP C[N@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000535321321 1007373850 /nfs/dbraw/zinc/37/38/50/1007373850.db2.gz MMYZFWFJPGRZEX-JOCHJYFZSA-N 2 2 420.582 3.652 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000535321321 1007373860 /nfs/dbraw/zinc/37/38/60/1007373860.db2.gz MMYZFWFJPGRZEX-JOCHJYFZSA-N 2 2 420.582 3.652 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539093762 1007382852 /nfs/dbraw/zinc/38/28/52/1007382852.db2.gz QEMUZTHHOHIKOI-HSALFYBXSA-N 2 2 418.541 3.973 20 0 HHADLP CC1(C)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000517107757 1007420277 /nfs/dbraw/zinc/42/02/77/1007420277.db2.gz KNXYMRVMGGHHBE-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP CC1(C)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000517107757 1007420283 /nfs/dbraw/zinc/42/02/83/1007420283.db2.gz KNXYMRVMGGHHBE-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148324 1007444697 /nfs/dbraw/zinc/44/46/97/1007444697.db2.gz NKTXZZNDCJPWEI-FGZHOGPDSA-N 2 2 401.595 3.721 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148324 1007444705 /nfs/dbraw/zinc/44/47/05/1007444705.db2.gz NKTXZZNDCJPWEI-FGZHOGPDSA-N 2 2 401.595 3.721 20 0 HHADLP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000533104332 1007456364 /nfs/dbraw/zinc/45/63/64/1007456364.db2.gz CHGXTSFHSPLVPX-RUZDIDTESA-N 2 2 406.574 3.563 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000539310334 1007607981 /nfs/dbraw/zinc/60/79/81/1007607981.db2.gz RTRASCQXNBOYAQ-GOSISDBHSA-N 2 2 422.552 3.614 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000539313935 1007611778 /nfs/dbraw/zinc/61/17/78/1007611778.db2.gz RPEIXWOWZJUFGC-DLBZAZTESA-N 2 2 423.536 3.766 20 0 HHADLP O=[S@@](CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000517382358 1007612442 /nfs/dbraw/zinc/61/24/42/1007612442.db2.gz ZYKBNIBOGLRUGC-SANMLTNESA-N 2 2 419.418 3.535 20 0 HHADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccc(F)cc2)n1 ZINC000517403487 1007628910 /nfs/dbraw/zinc/62/89/10/1007628910.db2.gz XYZGSSRGCFFJTA-DEOSSOPVSA-N 2 2 408.521 3.911 20 0 HHADLP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000533347498 1007655183 /nfs/dbraw/zinc/65/51/83/1007655183.db2.gz BHXIBIRHAQVJKI-OAQYLSRUSA-N 2 2 417.513 3.868 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655538 1007668269 /nfs/dbraw/zinc/66/82/69/1007668269.db2.gz QVTMPGLETFXMCF-VXKWHMMOSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655538 1007668277 /nfs/dbraw/zinc/66/82/77/1007668277.db2.gz QVTMPGLETFXMCF-VXKWHMMOSA-N 2 2 402.583 3.805 20 0 HHADLP CC[N@H+](CCC(=O)NC1CCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395759 1007707601 /nfs/dbraw/zinc/70/76/01/1007707601.db2.gz AGJVDXVCDZZHJT-UHFFFAOYSA-N 2 2 401.599 3.648 20 0 HHADLP CC[N@@H+](CCC(=O)NC1CCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395759 1007707612 /nfs/dbraw/zinc/70/76/12/1007707612.db2.gz AGJVDXVCDZZHJT-UHFFFAOYSA-N 2 2 401.599 3.648 20 0 HHADLP CC[N@H+](CC(=O)N(CC(C)C)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395748 1007707689 /nfs/dbraw/zinc/70/76/89/1007707689.db2.gz AWJLKPSHJPZZDY-UHFFFAOYSA-N 2 2 415.626 3.846 20 0 HHADLP CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395748 1007707698 /nfs/dbraw/zinc/70/76/98/1007707698.db2.gz AWJLKPSHJPZZDY-UHFFFAOYSA-N 2 2 415.626 3.846 20 0 HHADLP CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532185 1007853701 /nfs/dbraw/zinc/85/37/01/1007853701.db2.gz MZODTJXSGMTHEC-UHFFFAOYSA-N 2 2 403.615 3.845 20 0 HHADLP CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532185 1007853715 /nfs/dbraw/zinc/85/37/15/1007853715.db2.gz MZODTJXSGMTHEC-UHFFFAOYSA-N 2 2 403.615 3.845 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000517644555 1007855406 /nfs/dbraw/zinc/85/54/06/1007855406.db2.gz LKOABVHFQHURGT-NRFANRHFSA-N 2 2 407.518 3.695 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c(C)c1 ZINC000533536562 1007859122 /nfs/dbraw/zinc/85/91/22/1007859122.db2.gz VEMSNZCTBLNDEK-QHCPKHFHSA-N 2 2 417.557 3.977 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850546 1007863300 /nfs/dbraw/zinc/86/33/00/1007863300.db2.gz FLFGLFXOVVIBJG-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850546 1007863304 /nfs/dbraw/zinc/86/33/04/1007863304.db2.gz FLFGLFXOVVIBJG-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855565 1007869387 /nfs/dbraw/zinc/86/93/87/1007869387.db2.gz MRNILSOXUTXNCQ-LEOXJPRUSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855565 1007869399 /nfs/dbraw/zinc/86/93/99/1007869399.db2.gz MRNILSOXUTXNCQ-LEOXJPRUSA-N 2 2 403.586 3.800 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876495 1007894183 /nfs/dbraw/zinc/89/41/83/1007894183.db2.gz MCJIQDAPEITPBU-TZYHBYERSA-N 2 2 418.626 3.888 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876495 1007894190 /nfs/dbraw/zinc/89/41/90/1007894190.db2.gz MCJIQDAPEITPBU-TZYHBYERSA-N 2 2 418.626 3.888 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876672 1007894477 /nfs/dbraw/zinc/89/44/77/1007894477.db2.gz OJCLSOGSGRACDF-VXKWHMMOSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876672 1007894503 /nfs/dbraw/zinc/89/45/03/1007894503.db2.gz OJCLSOGSGRACDF-VXKWHMMOSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876670 1007894730 /nfs/dbraw/zinc/89/47/30/1007894730.db2.gz OJCLSOGSGRACDF-FGZHOGPDSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876670 1007894751 /nfs/dbraw/zinc/89/47/51/1007894751.db2.gz OJCLSOGSGRACDF-FGZHOGPDSA-N 2 2 416.610 3.564 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590529 1007910308 /nfs/dbraw/zinc/91/03/08/1007910308.db2.gz NBWGILINMYPNCO-RTBURBONSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590529 1007910316 /nfs/dbraw/zinc/91/03/16/1007910316.db2.gz NBWGILINMYPNCO-RTBURBONSA-N 2 2 407.628 3.897 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632052 1007938606 /nfs/dbraw/zinc/93/86/06/1007938606.db2.gz VZYJRVGDWQRQGD-VAZMBZEVSA-N 2 2 410.965 3.644 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632052 1007938609 /nfs/dbraw/zinc/93/86/09/1007938609.db2.gz VZYJRVGDWQRQGD-VAZMBZEVSA-N 2 2 410.965 3.644 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535928015 1007950890 /nfs/dbraw/zinc/95/08/90/1007950890.db2.gz FLZSDRKUPWJGJC-DUXKGJEZSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535928015 1007950905 /nfs/dbraw/zinc/95/09/05/1007950905.db2.gz FLZSDRKUPWJGJC-DUXKGJEZSA-N 2 2 422.976 3.598 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648478 1007957702 /nfs/dbraw/zinc/95/77/02/1007957702.db2.gz OIMQGGJFLQPKCH-ZEQRLZLVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648478 1007957712 /nfs/dbraw/zinc/95/77/12/1007957712.db2.gz OIMQGGJFLQPKCH-ZEQRLZLVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648469 1007958772 /nfs/dbraw/zinc/95/87/72/1007958772.db2.gz OIMQGGJFLQPKCH-BJKOFHAPSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648469 1007958779 /nfs/dbraw/zinc/95/87/79/1007958779.db2.gz OIMQGGJFLQPKCH-BJKOFHAPSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650550 1007962716 /nfs/dbraw/zinc/96/27/16/1007962716.db2.gz YSPMDNYMGANDTG-VXKWHMMOSA-N 2 2 415.553 3.910 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650550 1007962723 /nfs/dbraw/zinc/96/27/23/1007962723.db2.gz YSPMDNYMGANDTG-VXKWHMMOSA-N 2 2 415.553 3.910 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672330 1007991077 /nfs/dbraw/zinc/99/10/77/1007991077.db2.gz KEWHDQKBNLDCDQ-UIFIKXQLSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672330 1007991099 /nfs/dbraw/zinc/99/10/99/1007991099.db2.gz KEWHDQKBNLDCDQ-UIFIKXQLSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@@H](c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000517854948 1008015392 /nfs/dbraw/zinc/01/53/92/1008015392.db2.gz SCPHEOOHIUEHFM-FQEVSTJZSA-N 2 2 407.558 3.931 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000517890157 1008033631 /nfs/dbraw/zinc/03/36/31/1008033631.db2.gz WCIAKJMDOPSSQY-UHFFFAOYSA-N 2 2 400.611 3.556 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000517890157 1008033674 /nfs/dbraw/zinc/03/36/74/1008033674.db2.gz WCIAKJMDOPSSQY-UHFFFAOYSA-N 2 2 400.611 3.556 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015997 1008056612 /nfs/dbraw/zinc/05/66/12/1008056612.db2.gz ABBFESZHSUCBAA-NOTZXAQLSA-N 2 2 424.614 3.771 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015997 1008056620 /nfs/dbraw/zinc/05/66/20/1008056620.db2.gz ABBFESZHSUCBAA-NOTZXAQLSA-N 2 2 424.614 3.771 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880149 1008177432 /nfs/dbraw/zinc/17/74/32/1008177432.db2.gz BCWDMGLRPXBTIE-UHFFFAOYSA-N 2 2 405.502 3.791 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000539949746 1008201545 /nfs/dbraw/zinc/20/15/45/1008201545.db2.gz BFUHWOBQNHZZKE-NRFANRHFSA-N 2 2 402.970 3.612 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCn2ccc3cc(Cl)ccc32)([NH+]2CCCCC2)CC1 ZINC000533937649 1008218896 /nfs/dbraw/zinc/21/88/96/1008218896.db2.gz ZBNMDPKZIXZTFI-UHFFFAOYSA-N 2 2 416.997 3.751 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180762 1008325242 /nfs/dbraw/zinc/32/52/42/1008325242.db2.gz CLHNFRCQAOKUMR-OXJNMPFZSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180762 1008325245 /nfs/dbraw/zinc/32/52/45/1008325245.db2.gz CLHNFRCQAOKUMR-OXJNMPFZSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540475158 1008446054 /nfs/dbraw/zinc/44/60/54/1008446054.db2.gz FYFTZDZUJBJTRQ-BQFCYCMXSA-N 2 2 403.929 3.909 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540475158 1008446058 /nfs/dbraw/zinc/44/60/58/1008446058.db2.gz FYFTZDZUJBJTRQ-BQFCYCMXSA-N 2 2 403.929 3.909 20 0 HHADLP COc1ccccc1[C@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540481303 1008448676 /nfs/dbraw/zinc/44/86/76/1008448676.db2.gz YRUXDIVQOWUVCO-NRFANRHFSA-N 2 2 410.562 3.506 20 0 HHADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543041988 1008624069 /nfs/dbraw/zinc/62/40/69/1008624069.db2.gz VXQJICSYXWJWAK-FQEVSTJZSA-N 2 2 424.593 3.706 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000543060182 1008638728 /nfs/dbraw/zinc/63/87/28/1008638728.db2.gz AMKMGHLCLUPANU-UHFFFAOYSA-N 2 2 410.440 3.913 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543062564 1008639294 /nfs/dbraw/zinc/63/92/94/1008639294.db2.gz FPSWAAKSNAEZOG-GOSISDBHSA-N 2 2 412.534 3.564 20 0 HHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000519268107 1008677134 /nfs/dbraw/zinc/67/71/34/1008677134.db2.gz FRMQWWDHXYHIMR-UHFFFAOYSA-N 2 2 423.536 3.717 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106844 1008680012 /nfs/dbraw/zinc/68/00/12/1008680012.db2.gz DIVBFQHPRJVAQO-OFAXGOBFSA-N 2 2 401.595 3.594 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106844 1008680016 /nfs/dbraw/zinc/68/00/16/1008680016.db2.gz DIVBFQHPRJVAQO-OFAXGOBFSA-N 2 2 401.595 3.594 20 0 HHADLP CCc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108516 1008680867 /nfs/dbraw/zinc/68/08/67/1008680867.db2.gz WDQLILPGYGRBKA-PKTZIBPZSA-N 2 2 417.642 3.511 20 0 HHADLP CCc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108516 1008680870 /nfs/dbraw/zinc/68/08/70/1008680870.db2.gz WDQLILPGYGRBKA-PKTZIBPZSA-N 2 2 417.642 3.511 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108540 1008681766 /nfs/dbraw/zinc/68/17/66/1008681766.db2.gz ITKXCTMPXHIMBE-SFTDATJTSA-N 2 2 405.558 3.634 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108540 1008681775 /nfs/dbraw/zinc/68/17/75/1008681775.db2.gz ITKXCTMPXHIMBE-SFTDATJTSA-N 2 2 405.558 3.634 20 0 HHADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362939 1008762139 /nfs/dbraw/zinc/76/21/39/1008762139.db2.gz SREBVECEJZWQPV-MRXNPFEDSA-N 2 2 402.539 3.511 20 0 HHADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362939 1008762158 /nfs/dbraw/zinc/76/21/58/1008762158.db2.gz SREBVECEJZWQPV-MRXNPFEDSA-N 2 2 402.539 3.511 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362939 1008762175 /nfs/dbraw/zinc/76/21/75/1008762175.db2.gz SREBVECEJZWQPV-MRXNPFEDSA-N 2 2 402.539 3.511 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362939 1008762181 /nfs/dbraw/zinc/76/21/81/1008762181.db2.gz SREBVECEJZWQPV-MRXNPFEDSA-N 2 2 402.539 3.511 20 0 HHADLP Cc1cccn2cc(Cc3noc(-c4ccc(N5CC[NH+](C(C)C)CC5)cc4)n3)[nH+]c12 ZINC000545679133 1008772240 /nfs/dbraw/zinc/77/22/40/1008772240.db2.gz PHVLXNHESMKMLX-UHFFFAOYSA-N 2 2 416.529 3.814 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)c1 ZINC000543262017 1008832976 /nfs/dbraw/zinc/83/29/76/1008832976.db2.gz IDJVJRXPBSZMMY-NZQKXSOJSA-N 2 2 424.589 3.921 20 0 HHADLP C[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000543279868 1008853822 /nfs/dbraw/zinc/85/38/22/1008853822.db2.gz CMDGFJVIBNGLII-FQEVSTJZSA-N 2 2 412.553 3.881 20 0 HHADLP C[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000543279868 1008853843 /nfs/dbraw/zinc/85/38/43/1008853843.db2.gz CMDGFJVIBNGLII-FQEVSTJZSA-N 2 2 412.553 3.881 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000543514570 1009104454 /nfs/dbraw/zinc/10/44/54/1009104454.db2.gz QZWQZWKUBDHKQL-YQVWRLOYSA-N 2 2 414.619 3.870 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000543514570 1009104471 /nfs/dbraw/zinc/10/44/71/1009104471.db2.gz QZWQZWKUBDHKQL-YQVWRLOYSA-N 2 2 414.619 3.870 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCCC[C@H]3C)c2C1 ZINC000546082290 1009105802 /nfs/dbraw/zinc/10/58/02/1009105802.db2.gz LGNLTOOMMTZJTR-LJQANCHMSA-N 2 2 408.590 3.997 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCCC[C@H]3C)c2C1 ZINC000546082290 1009105808 /nfs/dbraw/zinc/10/58/08/1009105808.db2.gz LGNLTOOMMTZJTR-LJQANCHMSA-N 2 2 408.590 3.997 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c2C1 ZINC000546082290 1009105815 /nfs/dbraw/zinc/10/58/15/1009105815.db2.gz LGNLTOOMMTZJTR-LJQANCHMSA-N 2 2 408.590 3.997 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)c2C1 ZINC000546082290 1009105819 /nfs/dbraw/zinc/10/58/19/1009105819.db2.gz LGNLTOOMMTZJTR-LJQANCHMSA-N 2 2 408.590 3.997 20 0 HHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)cc3Cl)CC2)CC1 ZINC000543521516 1009112948 /nfs/dbraw/zinc/11/29/48/1009112948.db2.gz GDSAJPKJACMYGL-UHFFFAOYSA-N 2 2 414.819 3.952 20 0 HHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520168707 1009315093 /nfs/dbraw/zinc/31/50/93/1009315093.db2.gz QKDDXKNPMYQYII-QGZVFWFLSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520168707 1009315113 /nfs/dbraw/zinc/31/51/13/1009315113.db2.gz QKDDXKNPMYQYII-QGZVFWFLSA-N 2 2 420.479 3.832 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941308 1009534478 /nfs/dbraw/zinc/53/44/78/1009534478.db2.gz ZLFNZVKWKLEBAV-PBEJRMEISA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941308 1009534484 /nfs/dbraw/zinc/53/44/84/1009534484.db2.gz ZLFNZVKWKLEBAV-PBEJRMEISA-N 2 2 424.511 3.509 20 0 HHADLP Cc1ccc(SCCNC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543988675 1009587944 /nfs/dbraw/zinc/58/79/44/1009587944.db2.gz WIPIFOYISBUVPM-UHFFFAOYSA-N 2 2 400.592 3.592 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2C1 ZINC000546772131 1009739544 /nfs/dbraw/zinc/73/95/44/1009739544.db2.gz CDJZGLWJYVCUGT-HXUWFJFHSA-N 2 2 416.569 3.516 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2C1 ZINC000546772131 1009739553 /nfs/dbraw/zinc/73/95/53/1009739553.db2.gz CDJZGLWJYVCUGT-HXUWFJFHSA-N 2 2 416.569 3.516 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520985308 1010025235 /nfs/dbraw/zinc/02/52/35/1010025235.db2.gz REJNNCFBVALOSK-HSZRJFAPSA-N 2 2 409.578 3.775 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520985308 1010025243 /nfs/dbraw/zinc/02/52/43/1010025243.db2.gz REJNNCFBVALOSK-HSZRJFAPSA-N 2 2 409.578 3.775 20 0 HHADLP C[C@H](CC[NH+](C)C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000521017810 1010053543 /nfs/dbraw/zinc/05/35/43/1010053543.db2.gz DEEFEBUHBIYWSF-MRXNPFEDSA-N 2 2 409.937 3.618 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000544579320 1010206339 /nfs/dbraw/zinc/20/63/39/1010206339.db2.gz QXWWTXMNHXPCCH-HXUWFJFHSA-N 2 2 400.588 3.933 20 0 HHADLP CS(=O)(=O)C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000550887676 1010243275 /nfs/dbraw/zinc/24/32/75/1010243275.db2.gz YTOMRDAQGSWHDQ-QHCPKHFHSA-N 2 2 409.555 3.511 20 0 HHADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)Cc1ccccn1 ZINC000521382974 1010347238 /nfs/dbraw/zinc/34/72/38/1010347238.db2.gz XRGYAGCNEJOTGC-UHFFFAOYSA-N 2 2 416.569 3.790 20 0 HHADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)Cc1ccccn1 ZINC000521382974 1010347245 /nfs/dbraw/zinc/34/72/45/1010347245.db2.gz XRGYAGCNEJOTGC-UHFFFAOYSA-N 2 2 416.569 3.790 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000521467231 1010388229 /nfs/dbraw/zinc/38/82/29/1010388229.db2.gz GSLIPQZBBKCXCW-CJFMBICVSA-N 2 2 409.549 3.726 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000521467231 1010388244 /nfs/dbraw/zinc/38/82/44/1010388244.db2.gz GSLIPQZBBKCXCW-CJFMBICVSA-N 2 2 409.549 3.726 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000521467232 1010388376 /nfs/dbraw/zinc/38/83/76/1010388376.db2.gz GSLIPQZBBKCXCW-CPJSRVTESA-N 2 2 409.549 3.726 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000521467232 1010388389 /nfs/dbraw/zinc/38/83/89/1010388389.db2.gz GSLIPQZBBKCXCW-CPJSRVTESA-N 2 2 409.549 3.726 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000521596575 1010493011 /nfs/dbraw/zinc/49/30/11/1010493011.db2.gz YMYKLQLYKYPHGF-UHFFFAOYSA-N 2 2 415.969 3.748 20 0 HHADLP CCC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000521820173 1010640914 /nfs/dbraw/zinc/64/09/14/1010640914.db2.gz YHCXKBKLORZCHV-RUZDIDTESA-N 2 2 421.585 3.535 20 0 HHADLP CCC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000521820173 1010640922 /nfs/dbraw/zinc/64/09/22/1010640922.db2.gz YHCXKBKLORZCHV-RUZDIDTESA-N 2 2 421.585 3.535 20 0 HHADLP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545209197 1010685077 /nfs/dbraw/zinc/68/50/77/1010685077.db2.gz BFOLCQNERXDHSD-KRWDZBQOSA-N 2 2 411.384 3.777 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000521927629 1010717527 /nfs/dbraw/zinc/71/75/27/1010717527.db2.gz OMQBJAUKETVKHJ-UHFFFAOYSA-N 2 2 419.529 3.702 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000521927629 1010717534 /nfs/dbraw/zinc/71/75/34/1010717534.db2.gz OMQBJAUKETVKHJ-UHFFFAOYSA-N 2 2 419.529 3.702 20 0 HHADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000551662851 1010728037 /nfs/dbraw/zinc/72/80/37/1010728037.db2.gz VUPLUHHDBYGMOI-UHFFFAOYSA-N 2 2 416.363 3.950 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000548930737 1010765584 /nfs/dbraw/zinc/76/55/84/1010765584.db2.gz HSEJDOXDSCNGKZ-NRFANRHFSA-N 2 2 409.578 3.827 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000548930737 1010765589 /nfs/dbraw/zinc/76/55/89/1010765589.db2.gz HSEJDOXDSCNGKZ-NRFANRHFSA-N 2 2 409.578 3.827 20 0 HHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C(=O)OC)c1 ZINC000548932050 1010766786 /nfs/dbraw/zinc/76/67/86/1010766786.db2.gz NYLVFGPVELNWJZ-QFIPXVFZSA-N 2 2 424.541 3.650 20 0 HHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C(=O)OC)c1 ZINC000548932050 1010766792 /nfs/dbraw/zinc/76/67/92/1010766792.db2.gz NYLVFGPVELNWJZ-QFIPXVFZSA-N 2 2 424.541 3.650 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)cc2ccccc21 ZINC000522191758 1010857466 /nfs/dbraw/zinc/85/74/66/1010857466.db2.gz GNBQBJMLKVDDMW-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)cc2ccccc21 ZINC000522191758 1010857471 /nfs/dbraw/zinc/85/74/71/1010857471.db2.gz GNBQBJMLKVDDMW-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000522284007 1010905504 /nfs/dbraw/zinc/90/55/04/1010905504.db2.gz VRRFKDUHIIAHQC-FQEVSTJZSA-N 2 2 409.578 3.512 20 0 HHADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235701 1011385925 /nfs/dbraw/zinc/38/59/25/1011385925.db2.gz YUOHTFPHMRDMOQ-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235701 1011385934 /nfs/dbraw/zinc/38/59/34/1011385934.db2.gz YUOHTFPHMRDMOQ-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235690 1011386513 /nfs/dbraw/zinc/38/65/13/1011386513.db2.gz YUOHTFPHMRDMOQ-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235690 1011386520 /nfs/dbraw/zinc/38/65/20/1011386520.db2.gz YUOHTFPHMRDMOQ-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540926156 1011589930 /nfs/dbraw/zinc/58/99/30/1011589930.db2.gz UDAWARCBQCTYLY-FPOVZHCZSA-N 2 2 404.917 3.652 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540926156 1011589940 /nfs/dbraw/zinc/58/99/40/1011589940.db2.gz UDAWARCBQCTYLY-FPOVZHCZSA-N 2 2 404.917 3.652 20 0 HHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523145151 1011618758 /nfs/dbraw/zinc/61/87/58/1011618758.db2.gz RAAVXNPXCAEOHZ-HSZRJFAPSA-N 2 2 407.558 3.678 20 0 HHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523145151 1011618790 /nfs/dbraw/zinc/61/87/90/1011618790.db2.gz RAAVXNPXCAEOHZ-HSZRJFAPSA-N 2 2 407.558 3.678 20 0 HHADLP COc1cc2c(cc1C[N@H+](C)CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)O[C@H](C)C2 ZINC000536667085 1011820336 /nfs/dbraw/zinc/82/03/36/1011820336.db2.gz YSOJKLBPXFIOSC-LJQANCHMSA-N 3 2 415.622 3.647 20 0 HHADLP COc1cc2c(cc1C[N@@H+](C)CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)O[C@H](C)C2 ZINC000536667085 1011820354 /nfs/dbraw/zinc/82/03/54/1011820354.db2.gz YSOJKLBPXFIOSC-LJQANCHMSA-N 3 2 415.622 3.647 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000541200987 1011871442 /nfs/dbraw/zinc/87/14/42/1011871442.db2.gz GGFJGWOMMUGBEE-UHFFFAOYSA-N 2 2 408.590 3.857 20 0 HHADLP CCCOc1c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cccc1OCC ZINC000536710422 1011882053 /nfs/dbraw/zinc/88/20/53/1011882053.db2.gz SHRQOFNLZZDIDZ-UHFFFAOYSA-N 2 2 403.611 3.865 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251875 1011932847 /nfs/dbraw/zinc/93/28/47/1011932847.db2.gz NDKYHDKAJVHZOQ-WOJBJXKFSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251875 1011932859 /nfs/dbraw/zinc/93/28/59/1011932859.db2.gz NDKYHDKAJVHZOQ-WOJBJXKFSA-N 2 2 409.521 3.697 20 0 HHADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000536751011 1011940309 /nfs/dbraw/zinc/94/03/09/1011940309.db2.gz KGUMTHVEJNXYDU-UHFFFAOYSA-N 2 2 414.579 3.562 20 0 HHADLP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449564 1011948207 /nfs/dbraw/zinc/94/82/07/1011948207.db2.gz NRIPEXIUMLAOIK-PXDATVDWSA-N 2 2 406.574 3.902 20 0 HHADLP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449564 1011948217 /nfs/dbraw/zinc/94/82/17/1011948217.db2.gz NRIPEXIUMLAOIK-PXDATVDWSA-N 2 2 406.574 3.902 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541301242 1012003261 /nfs/dbraw/zinc/00/32/61/1012003261.db2.gz BCNYLUAQBKUHRT-HBGVWJBISA-N 2 2 419.491 3.745 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541301242 1012003267 /nfs/dbraw/zinc/00/32/67/1012003267.db2.gz BCNYLUAQBKUHRT-HBGVWJBISA-N 2 2 419.491 3.745 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057906 1012075538 /nfs/dbraw/zinc/07/55/38/1012075538.db2.gz MJTPEAVEYGAADN-DHIUTWEWSA-N 2 2 408.030 3.736 20 0 HHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541376884 1012093024 /nfs/dbraw/zinc/09/30/24/1012093024.db2.gz ITULEJSBHXVEFD-UHFFFAOYSA-N 2 2 418.526 3.940 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114716 1012133410 /nfs/dbraw/zinc/13/34/10/1012133410.db2.gz XLOTYTMDJQDHGK-QUDVFMAMSA-N 2 2 415.569 3.580 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114716 1012133414 /nfs/dbraw/zinc/13/34/14/1012133414.db2.gz XLOTYTMDJQDHGK-QUDVFMAMSA-N 2 2 415.569 3.580 20 0 HHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000541458295 1012218406 /nfs/dbraw/zinc/21/84/06/1012218406.db2.gz CPALCEZEWWMNAZ-GOSISDBHSA-N 2 2 416.418 3.511 20 0 HHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000541458295 1012218422 /nfs/dbraw/zinc/21/84/22/1012218422.db2.gz CPALCEZEWWMNAZ-GOSISDBHSA-N 2 2 416.418 3.511 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942771 1012238781 /nfs/dbraw/zinc/23/87/81/1012238781.db2.gz UUOBLNXYUZIMOJ-VQTJNVASSA-N 2 2 410.965 3.598 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942771 1012238795 /nfs/dbraw/zinc/23/87/95/1012238795.db2.gz UUOBLNXYUZIMOJ-VQTJNVASSA-N 2 2 410.965 3.598 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542392 1012327078 /nfs/dbraw/zinc/32/70/78/1012327078.db2.gz UWFCTFMKOHGVBC-XUZZJYLKSA-N 2 2 413.631 3.932 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542392 1012327095 /nfs/dbraw/zinc/32/70/95/1012327095.db2.gz UWFCTFMKOHGVBC-XUZZJYLKSA-N 2 2 413.631 3.932 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000552338221 1012350041 /nfs/dbraw/zinc/35/00/41/1012350041.db2.gz BMLUFFDPRPMQHR-NJAFHUGGSA-N 2 2 408.384 3.634 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000552338221 1012350043 /nfs/dbraw/zinc/35/00/43/1012350043.db2.gz BMLUFFDPRPMQHR-NJAFHUGGSA-N 2 2 408.384 3.634 20 0 HHADLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cc1 ZINC000541564739 1012354387 /nfs/dbraw/zinc/35/43/87/1012354387.db2.gz GGHDNZQSWXSELM-HSZRJFAPSA-N 2 2 424.495 3.530 20 0 HHADLP CC(C)n1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000541645128 1012465488 /nfs/dbraw/zinc/46/54/88/1012465488.db2.gz BJRFRFVMJAIULN-FQEVSTJZSA-N 2 2 419.573 3.612 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000552663852 1012663020 /nfs/dbraw/zinc/66/30/20/1012663020.db2.gz XIYVVPHJUWTPEZ-OALUTQOASA-N 2 2 415.603 3.900 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235722 1012673134 /nfs/dbraw/zinc/67/31/34/1012673134.db2.gz AQWVMFTXMFTKOQ-ZWKOTPCHSA-N 2 2 422.643 3.682 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235722 1012673144 /nfs/dbraw/zinc/67/31/44/1012673144.db2.gz AQWVMFTXMFTKOQ-ZWKOTPCHSA-N 2 2 422.643 3.682 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238634 1012676907 /nfs/dbraw/zinc/67/69/07/1012676907.db2.gz ZAFMZBHDFKSAQT-LEWJYISDSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238634 1012676917 /nfs/dbraw/zinc/67/69/17/1012676917.db2.gz ZAFMZBHDFKSAQT-LEWJYISDSA-N 2 2 418.582 3.505 20 0 HHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000552678378 1012685361 /nfs/dbraw/zinc/68/53/61/1012685361.db2.gz FZOIYKQCPUMMLJ-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000552678378 1012685373 /nfs/dbraw/zinc/68/53/73/1012685373.db2.gz FZOIYKQCPUMMLJ-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@@H](C)O1 ZINC000552678524 1012685869 /nfs/dbraw/zinc/68/58/69/1012685869.db2.gz PRDLYWHKKAKAFJ-HUUCEWRRSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814402 1012701062 /nfs/dbraw/zinc/70/10/62/1012701062.db2.gz HMRHCKSYWQNCLS-OXQOHEQNSA-N 2 2 424.992 3.815 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814402 1012701079 /nfs/dbraw/zinc/70/10/79/1012701079.db2.gz HMRHCKSYWQNCLS-OXQOHEQNSA-N 2 2 424.992 3.815 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751865 /nfs/dbraw/zinc/75/18/65/1012751865.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 3 2 424.658 3.537 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751876 /nfs/dbraw/zinc/75/18/76/1012751876.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 3 2 424.658 3.537 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294679 1012752180 /nfs/dbraw/zinc/75/21/80/1012752180.db2.gz FNQVRCFRWRYWCD-HRAATJIYSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294679 1012752197 /nfs/dbraw/zinc/75/21/97/1012752197.db2.gz FNQVRCFRWRYWCD-HRAATJIYSA-N 2 2 419.363 3.745 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+](C)Cc3ccccc3)c2C1 ZINC000541891444 1012756958 /nfs/dbraw/zinc/75/69/58/1012756958.db2.gz JXDVENGPHVDSMX-UHFFFAOYSA-N 2 2 416.569 3.865 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+](C)Cc3ccccc3)c2C1 ZINC000541891444 1012756973 /nfs/dbraw/zinc/75/69/73/1012756973.db2.gz JXDVENGPHVDSMX-UHFFFAOYSA-N 2 2 416.569 3.865 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2C1 ZINC000541891444 1012756989 /nfs/dbraw/zinc/75/69/89/1012756989.db2.gz JXDVENGPHVDSMX-UHFFFAOYSA-N 2 2 416.569 3.865 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2C1 ZINC000541891444 1012757008 /nfs/dbraw/zinc/75/70/08/1012757008.db2.gz JXDVENGPHVDSMX-UHFFFAOYSA-N 2 2 416.569 3.865 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000552818072 1012829169 /nfs/dbraw/zinc/82/91/69/1012829169.db2.gz YJDBBZVDNNYRFD-GOTSBHOMSA-N 2 2 418.541 3.894 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542011831 1012895041 /nfs/dbraw/zinc/89/50/41/1012895041.db2.gz ZNDXMGWFKCMUKG-MDASCCDHSA-N 2 2 421.948 3.977 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542011831 1012895061 /nfs/dbraw/zinc/89/50/61/1012895061.db2.gz ZNDXMGWFKCMUKG-MDASCCDHSA-N 2 2 421.948 3.977 20 0 HHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H](C(F)(F)F)C1 ZINC000552905060 1012905596 /nfs/dbraw/zinc/90/55/96/1012905596.db2.gz KPZAFTBYWIOISI-HUUCEWRRSA-N 2 2 418.529 3.976 20 0 HHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H](C(F)(F)F)C1 ZINC000552905060 1012905611 /nfs/dbraw/zinc/90/56/11/1012905611.db2.gz KPZAFTBYWIOISI-HUUCEWRRSA-N 2 2 418.529 3.976 20 0 HHADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000552951917 1012938600 /nfs/dbraw/zinc/93/86/00/1012938600.db2.gz JAMILKYPGMBOCG-UHFFFAOYSA-N 2 2 402.970 3.809 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000553025565 1013001103 /nfs/dbraw/zinc/00/11/03/1013001103.db2.gz DXAUWZIBYNZFRT-GJZGRUSLSA-N 2 2 417.413 3.601 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1OC ZINC000524233173 1013043370 /nfs/dbraw/zinc/04/33/70/1013043370.db2.gz JEYBSMNJRXROFX-UHFFFAOYSA-N 2 2 408.502 3.854 20 0 HHADLP O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000913039925 1072319110 /nfs/dbraw/zinc/31/91/10/1072319110.db2.gz LORIGHAYHCNXCK-UHFFFAOYSA-N 2 2 414.553 3.601 20 0 HHADLP O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000913039925 1072319121 /nfs/dbraw/zinc/31/91/21/1072319121.db2.gz LORIGHAYHCNXCK-UHFFFAOYSA-N 2 2 414.553 3.601 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000586857399 1072478469 /nfs/dbraw/zinc/47/84/69/1072478469.db2.gz NLUFRSJTFYNHNS-HNNXBMFYSA-N 2 2 412.500 3.624 20 0 HHADLP Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)cs1 ZINC001168321239 1072502903 /nfs/dbraw/zinc/50/29/03/1072502903.db2.gz FEZIGOHYMQSTNH-MNNVXMFVSA-N 2 2 403.596 3.614 20 0 HHADLP Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]3C)cs1 ZINC001168321239 1072502911 /nfs/dbraw/zinc/50/29/11/1072502911.db2.gz FEZIGOHYMQSTNH-MNNVXMFVSA-N 2 2 403.596 3.614 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000537673173 1072543495 /nfs/dbraw/zinc/54/34/95/1072543495.db2.gz DLBWABSCLDOSNI-IBGZPJMESA-N 2 2 412.622 3.699 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006043 1072544108 /nfs/dbraw/zinc/54/41/08/1072544108.db2.gz YESLSPGMQYDNGO-MSOLQXFVSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006043 1072544112 /nfs/dbraw/zinc/54/41/12/1072544112.db2.gz YESLSPGMQYDNGO-MSOLQXFVSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006043 1072544121 /nfs/dbraw/zinc/54/41/21/1072544121.db2.gz YESLSPGMQYDNGO-MSOLQXFVSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006043 1072544124 /nfs/dbraw/zinc/54/41/24/1072544124.db2.gz YESLSPGMQYDNGO-MSOLQXFVSA-N 2 2 403.567 3.654 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545472 1072666765 /nfs/dbraw/zinc/66/67/65/1072666765.db2.gz IWYOXBVPJAAYMY-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545472 1072666768 /nfs/dbraw/zinc/66/67/68/1072666768.db2.gz IWYOXBVPJAAYMY-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP Ic1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000571826426 1072849753 /nfs/dbraw/zinc/84/97/53/1072849753.db2.gz PLDNMQQKTJCAKA-UHFFFAOYSA-N 2 2 403.267 3.826 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000554944121 1072993589 /nfs/dbraw/zinc/99/35/89/1072993589.db2.gz JZLPSUVGWVHJFC-YADHBBJMSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000554944121 1072993596 /nfs/dbraw/zinc/99/35/96/1072993596.db2.gz JZLPSUVGWVHJFC-YADHBBJMSA-N 2 2 424.593 3.673 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)n1-c1ccccc1 ZINC000555505917 1073572101 /nfs/dbraw/zinc/57/21/01/1073572101.db2.gz LJTZVLCMIYNDCW-UHFFFAOYSA-N 2 2 403.530 3.618 20 0 HHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000555523794 1073597543 /nfs/dbraw/zinc/59/75/43/1073597543.db2.gz CBZPTYDUCWJYBK-UHFFFAOYSA-N 2 2 410.949 3.754 20 0 HHADLP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555560887 1073629811 /nfs/dbraw/zinc/62/98/11/1073629811.db2.gz SSGPDEANNHNIPQ-IRLDBZIGSA-N 2 2 422.013 3.558 20 0 HHADLP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555560887 1073629815 /nfs/dbraw/zinc/62/98/15/1073629815.db2.gz SSGPDEANNHNIPQ-IRLDBZIGSA-N 2 2 422.013 3.558 20 0 HHADLP COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000590344377 1073747003 /nfs/dbraw/zinc/74/70/03/1073747003.db2.gz VBUGPGRKWAKZFZ-UHFFFAOYSA-N 2 2 424.589 3.563 20 0 HHADLP COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000590344377 1073747007 /nfs/dbraw/zinc/74/70/07/1073747007.db2.gz VBUGPGRKWAKZFZ-UHFFFAOYSA-N 2 2 424.589 3.563 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH+](CC)CC)o3)CC2)cs1 ZINC000600473021 1073924096 /nfs/dbraw/zinc/92/40/96/1073924096.db2.gz JDXNRFRFQRKVMG-UHFFFAOYSA-N 2 2 418.607 3.782 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1)C(C)C ZINC000600567754 1074011552 /nfs/dbraw/zinc/01/15/52/1074011552.db2.gz MWJDBYJCIUXHJQ-RUZDIDTESA-N 2 2 423.601 3.590 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1)C(C)C ZINC000600567754 1074011563 /nfs/dbraw/zinc/01/15/63/1074011563.db2.gz MWJDBYJCIUXHJQ-RUZDIDTESA-N 2 2 423.601 3.590 20 0 HHADLP c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929117 1074040078 /nfs/dbraw/zinc/04/00/78/1074040078.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929117 1074040081 /nfs/dbraw/zinc/04/00/81/1074040081.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929117 1074040089 /nfs/dbraw/zinc/04/00/89/1074040089.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929117 1074040099 /nfs/dbraw/zinc/04/00/99/1074040099.db2.gz SYVKQYURDAZAGE-FGZHOGPDSA-N 2 2 404.562 3.892 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591401720 1074294625 /nfs/dbraw/zinc/29/46/25/1074294625.db2.gz JGAYIXFVKNMZNZ-FQEVSTJZSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591447304 1074303752 /nfs/dbraw/zinc/30/37/52/1074303752.db2.gz CQKHHFUXBIFOEE-HXUWFJFHSA-N 2 2 407.558 3.685 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591447304 1074303761 /nfs/dbraw/zinc/30/37/61/1074303761.db2.gz CQKHHFUXBIFOEE-HXUWFJFHSA-N 2 2 407.558 3.685 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000591520801 1074361338 /nfs/dbraw/zinc/36/13/38/1074361338.db2.gz BGXQWRDTCBMHOE-XXBNENTESA-N 2 2 410.562 3.813 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522162 1074361906 /nfs/dbraw/zinc/36/19/06/1074361906.db2.gz AJUVPSBVYOXVCH-HSALFYBXSA-N 2 2 416.610 3.958 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522162 1074361911 /nfs/dbraw/zinc/36/19/11/1074361911.db2.gz AJUVPSBVYOXVCH-HSALFYBXSA-N 2 2 416.610 3.958 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591523626 1074365049 /nfs/dbraw/zinc/36/50/49/1074365049.db2.gz IQMPLKMCDSVUQM-VGSWGCGISA-N 2 2 414.525 3.643 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591557714 1074406394 /nfs/dbraw/zinc/40/63/94/1074406394.db2.gz VMZPVLRIZSPZFK-FXAWDEMLSA-N 2 2 422.976 3.886 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000591581862 1074424787 /nfs/dbraw/zinc/42/47/87/1074424787.db2.gz QHBPUQWFRFLOSF-UHFFFAOYSA-N 2 2 422.617 3.508 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000591581862 1074424792 /nfs/dbraw/zinc/42/47/92/1074424792.db2.gz QHBPUQWFRFLOSF-UHFFFAOYSA-N 2 2 422.617 3.508 20 0 HHADLP Cc1ccc(Oc2ccccc2CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000592536464 1074783281 /nfs/dbraw/zinc/78/32/81/1074783281.db2.gz XHRHEAAGOFKLOS-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP Cc1ccc(Oc2ccccc2CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000592536464 1074783291 /nfs/dbraw/zinc/78/32/91/1074783291.db2.gz XHRHEAAGOFKLOS-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000601476869 1075620117 /nfs/dbraw/zinc/62/01/17/1075620117.db2.gz AVUBSCUFIPKPRO-OAQYLSRUSA-N 2 2 417.594 3.505 20 0 HHADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000601476869 1075620120 /nfs/dbraw/zinc/62/01/20/1075620120.db2.gz AVUBSCUFIPKPRO-OAQYLSRUSA-N 2 2 417.594 3.505 20 0 HHADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478751 1075621500 /nfs/dbraw/zinc/62/15/00/1075621500.db2.gz GONLIBAOOORYPO-IRLDBZIGSA-N 2 2 401.595 3.594 20 0 HHADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478751 1075621502 /nfs/dbraw/zinc/62/15/02/1075621502.db2.gz GONLIBAOOORYPO-IRLDBZIGSA-N 2 2 401.595 3.594 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195121 1075710871 /nfs/dbraw/zinc/71/08/71/1075710871.db2.gz KZIHGXYYHSNNKJ-ZFWWWQNUSA-N 2 2 416.418 3.759 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195121 1075710877 /nfs/dbraw/zinc/71/08/77/1075710877.db2.gz KZIHGXYYHSNNKJ-ZFWWWQNUSA-N 2 2 416.418 3.759 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)CC1 ZINC000602200816 1075717185 /nfs/dbraw/zinc/71/71/85/1075717185.db2.gz IODYUQKLUZCTOO-HXUWFJFHSA-N 2 2 403.998 3.827 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)CC1 ZINC000602200816 1075717188 /nfs/dbraw/zinc/71/71/88/1075717188.db2.gz IODYUQKLUZCTOO-HXUWFJFHSA-N 2 2 403.998 3.827 20 0 HHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164710840 720147240 /nfs/dbraw/zinc/14/72/40/720147240.db2.gz DQISKBXFTKWDFA-NRFANRHFSA-N 2 2 407.562 3.565 20 0 HHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164710840 720147243 /nfs/dbraw/zinc/14/72/43/720147243.db2.gz DQISKBXFTKWDFA-NRFANRHFSA-N 2 2 407.562 3.565 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164839370 720580448 /nfs/dbraw/zinc/58/04/48/720580448.db2.gz NJXJRGLPCXZDNU-MIZPHKNDSA-N 2 2 405.546 3.818 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164839370 720580454 /nfs/dbraw/zinc/58/04/54/720580454.db2.gz NJXJRGLPCXZDNU-MIZPHKNDSA-N 2 2 405.546 3.818 20 0 HHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC[C@@H]21 ZINC001164844202 720638387 /nfs/dbraw/zinc/63/83/87/720638387.db2.gz ZUWLIJILPRNQIS-SPEDKVCISA-N 2 2 404.562 3.626 20 0 HHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC[C@@H]21 ZINC001164844202 720638395 /nfs/dbraw/zinc/63/83/95/720638395.db2.gz ZUWLIJILPRNQIS-SPEDKVCISA-N 2 2 404.562 3.626 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844197 720638944 /nfs/dbraw/zinc/63/89/44/720638944.db2.gz ZUWLIJILPRNQIS-KGVIQGDOSA-N 2 2 404.562 3.626 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844197 720638950 /nfs/dbraw/zinc/63/89/50/720638950.db2.gz ZUWLIJILPRNQIS-KGVIQGDOSA-N 2 2 404.562 3.626 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164786770 721451989 /nfs/dbraw/zinc/45/19/89/721451989.db2.gz NLUKEQIIBHSEHN-JOCHJYFZSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164786770 721451993 /nfs/dbraw/zinc/45/19/93/721451993.db2.gz NLUKEQIIBHSEHN-JOCHJYFZSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164788787 721466946 /nfs/dbraw/zinc/46/69/46/721466946.db2.gz KTXQSMGVINFNKT-NRFANRHFSA-N 2 2 416.610 3.642 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164788787 721466947 /nfs/dbraw/zinc/46/69/47/721466947.db2.gz KTXQSMGVINFNKT-NRFANRHFSA-N 2 2 416.610 3.642 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908765 721706832 /nfs/dbraw/zinc/70/68/32/721706832.db2.gz ZAZZKWKVSWBZJZ-OAQYLSRUSA-N 2 2 412.488 3.707 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908765 721706838 /nfs/dbraw/zinc/70/68/38/721706838.db2.gz ZAZZKWKVSWBZJZ-OAQYLSRUSA-N 2 2 412.488 3.707 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938647 721920551 /nfs/dbraw/zinc/92/05/51/721920551.db2.gz PXWGHQKCRVGONL-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938647 721920554 /nfs/dbraw/zinc/92/05/54/721920554.db2.gz PXWGHQKCRVGONL-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048235 721970774 /nfs/dbraw/zinc/97/07/74/721970774.db2.gz NAQVLWPEDZUYQS-GOSISDBHSA-N 2 2 413.566 3.823 20 0 HHADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164980969 722136151 /nfs/dbraw/zinc/13/61/51/722136151.db2.gz OIEWMOQJVSZKGV-ISKFKSNPSA-N 2 2 421.589 3.955 20 0 HHADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164980969 722136154 /nfs/dbraw/zinc/13/61/54/722136154.db2.gz OIEWMOQJVSZKGV-ISKFKSNPSA-N 2 2 421.589 3.955 20 0 HHADLP Brc1ccc2[nH+]ccc(NC[C@]3([NH+]4CCOCC4)CCSC3)c2c1 ZINC000301133772 970764827 /nfs/dbraw/zinc/76/48/27/970764827.db2.gz VYOUJBJOPBCTRI-GOSISDBHSA-N 2 2 408.365 3.617 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262099 970840633 /nfs/dbraw/zinc/84/06/33/970840633.db2.gz SOZSHEMXOLABHY-SIKLNZKXSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262099 970840642 /nfs/dbraw/zinc/84/06/42/970840642.db2.gz SOZSHEMXOLABHY-SIKLNZKXSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262099 970840653 /nfs/dbraw/zinc/84/06/53/970840653.db2.gz SOZSHEMXOLABHY-SIKLNZKXSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262099 970840664 /nfs/dbraw/zinc/84/06/64/970840664.db2.gz SOZSHEMXOLABHY-SIKLNZKXSA-N 2 2 409.578 3.529 20 0 HHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4cc(C)cc[nH+]4)CC3)c2c1C ZINC000301725098 971042582 /nfs/dbraw/zinc/04/25/82/971042582.db2.gz UMHWUWQFDTZDDY-UHFFFAOYSA-N 2 2 422.602 3.934 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccnc1 ZINC000542124628 1013057199 /nfs/dbraw/zinc/05/71/99/1013057199.db2.gz KXEXPGWKZDLCGX-NRFANRHFSA-N 2 2 414.553 3.666 20 0 HHADLP O[C@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132023 1013063606 /nfs/dbraw/zinc/06/36/06/1013063606.db2.gz GMQMGOZMFRGDLS-IBGZPJMESA-N 2 2 411.468 3.834 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302794151 971320732 /nfs/dbraw/zinc/32/07/32/971320732.db2.gz NPHHRTAQJFXFTR-QFIPXVFZSA-N 2 2 409.578 3.672 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000302794151 971320736 /nfs/dbraw/zinc/32/07/36/971320736.db2.gz NPHHRTAQJFXFTR-QFIPXVFZSA-N 2 2 409.578 3.672 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000303279790 971595270 /nfs/dbraw/zinc/59/52/70/971595270.db2.gz UEADQEGWSFYQHO-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000303279790 971595274 /nfs/dbraw/zinc/59/52/74/971595274.db2.gz UEADQEGWSFYQHO-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)CC1 ZINC000303317863 971625846 /nfs/dbraw/zinc/62/58/46/971625846.db2.gz HEHUSZMJAXBCRY-UHFFFAOYSA-N 2 2 418.632 3.638 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180168 1013119278 /nfs/dbraw/zinc/11/92/78/1013119278.db2.gz VROYCPCSQDQCQJ-WOJBJXKFSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180168 1013119289 /nfs/dbraw/zinc/11/92/89/1013119289.db2.gz VROYCPCSQDQCQJ-WOJBJXKFSA-N 2 2 404.624 3.603 20 0 HHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000303791445 972030521 /nfs/dbraw/zinc/03/05/21/972030521.db2.gz UYHBSPZTWCKGBN-UTKZUKDTSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000303791445 972030527 /nfs/dbraw/zinc/03/05/27/972030527.db2.gz UYHBSPZTWCKGBN-UTKZUKDTSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791445 972030537 /nfs/dbraw/zinc/03/05/37/972030537.db2.gz UYHBSPZTWCKGBN-UTKZUKDTSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791445 972030541 /nfs/dbraw/zinc/03/05/41/972030541.db2.gz UYHBSPZTWCKGBN-UTKZUKDTSA-N 2 2 410.949 3.833 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+](C)C ZINC000542335928 1013293965 /nfs/dbraw/zinc/29/39/65/1013293965.db2.gz KUHIBGCBQFQBJP-UGKGYDQZSA-N 2 2 424.589 3.921 20 0 HHADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542339990 1013297488 /nfs/dbraw/zinc/29/74/88/1013297488.db2.gz CUKOJKQQPYZKLH-OAQYLSRUSA-N 2 2 406.574 3.668 20 0 HHADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542339990 1013297495 /nfs/dbraw/zinc/29/74/95/1013297495.db2.gz CUKOJKQQPYZKLH-OAQYLSRUSA-N 2 2 406.574 3.668 20 0 HHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000537777493 1013340536 /nfs/dbraw/zinc/34/05/36/1013340536.db2.gz URNHEAUQACQMKJ-JWIGPWBQSA-N 2 2 405.995 3.680 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000542485237 1013433151 /nfs/dbraw/zinc/43/31/51/1013433151.db2.gz LCVVLZOCNUOSIZ-LJQANCHMSA-N 2 2 401.308 3.552 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000553546821 1013442973 /nfs/dbraw/zinc/44/29/73/1013442973.db2.gz OSASPTORTCVVER-LADGPHEKSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000553546821 1013442988 /nfs/dbraw/zinc/44/29/88/1013442988.db2.gz OSASPTORTCVVER-LADGPHEKSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048828710 964070985 /nfs/dbraw/zinc/07/09/85/964070985.db2.gz CNSCENJEXFIKDL-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048828710 964070998 /nfs/dbraw/zinc/07/09/98/964070998.db2.gz CNSCENJEXFIKDL-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000049786389 964212283 /nfs/dbraw/zinc/21/22/83/964212283.db2.gz YSTZIVXGCIFIMV-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000049786386 964212532 /nfs/dbraw/zinc/21/25/32/964212532.db2.gz YSTZIVXGCIFIMV-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000049786386 964212540 /nfs/dbraw/zinc/21/25/40/964212540.db2.gz YSTZIVXGCIFIMV-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP Cc1csc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)n1 ZINC000542549486 1013493194 /nfs/dbraw/zinc/49/31/94/1013493194.db2.gz AHCKXYQEUVIXGP-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1csc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)n1 ZINC000542549486 1013493198 /nfs/dbraw/zinc/49/31/98/1013493198.db2.gz AHCKXYQEUVIXGP-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000051761050 964690139 /nfs/dbraw/zinc/69/01/39/964690139.db2.gz GZTMHOZJJJTRMW-QFIPXVFZSA-N 2 2 412.622 3.518 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)CC2)CC1 ZINC000051777746 964695224 /nfs/dbraw/zinc/69/52/24/964695224.db2.gz GFRKMAXUTWFZRM-LJQANCHMSA-N 2 2 412.500 3.538 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000537948351 1013531136 /nfs/dbraw/zinc/53/11/36/1013531136.db2.gz IVLAESHISQMSQD-ZWKOTPCHSA-N 2 2 416.591 3.719 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC000029734568 965481685 /nfs/dbraw/zinc/48/16/85/965481685.db2.gz LTTINKFIGKWNCV-UHFFFAOYSA-N 2 2 421.589 3.913 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054719979 965621881 /nfs/dbraw/zinc/62/18/81/965621881.db2.gz HVIYQLKKUYREPL-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054719979 965621886 /nfs/dbraw/zinc/62/18/86/965621886.db2.gz HVIYQLKKUYREPL-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)cn2)CC1 ZINC000030661100 965758443 /nfs/dbraw/zinc/75/84/43/965758443.db2.gz UYNTYVOHGPMMMP-UHFFFAOYSA-N 2 2 419.554 3.993 20 0 HHADLP C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377472 966120559 /nfs/dbraw/zinc/12/05/59/966120559.db2.gz CFLDXKHPRKCSEF-KRWDZBQOSA-N 2 2 400.954 3.906 20 0 HHADLP C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377472 966120564 /nfs/dbraw/zinc/12/05/64/966120564.db2.gz CFLDXKHPRKCSEF-KRWDZBQOSA-N 2 2 400.954 3.906 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053801 1013627994 /nfs/dbraw/zinc/62/79/94/1013627994.db2.gz DMLTXDOHNVDQCT-WOJBJXKFSA-N 2 2 421.948 3.851 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053801 1013628002 /nfs/dbraw/zinc/62/80/02/1013628002.db2.gz DMLTXDOHNVDQCT-WOJBJXKFSA-N 2 2 421.948 3.851 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)c1ccsc1 ZINC000060545750 966198957 /nfs/dbraw/zinc/19/89/57/966198957.db2.gz NIZOJNFPWOXGDH-IBGZPJMESA-N 2 2 404.580 3.993 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000542831226 1013696546 /nfs/dbraw/zinc/69/65/46/1013696546.db2.gz DGRKYIASCKURKH-UHFFFAOYSA-N 2 2 407.562 3.977 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[NH+]2CCCC2)cc1 ZINC000064237538 967102141 /nfs/dbraw/zinc/10/21/41/967102141.db2.gz ASRYSIPZUUKFEN-QFIPXVFZSA-N 2 2 412.603 3.721 20 0 HHADLP COc1ccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000044837208 967299614 /nfs/dbraw/zinc/29/96/14/967299614.db2.gz KUOXTMVIHLMPLW-HSZRJFAPSA-N 2 2 404.514 3.507 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000045132318 967360617 /nfs/dbraw/zinc/36/06/17/967360617.db2.gz SUILVSMZXZNGCE-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000065304333 967433575 /nfs/dbraw/zinc/43/35/75/967433575.db2.gz ZLDGUTPHFMSVOF-QGZVFWFLSA-N 2 2 410.562 3.938 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000065304333 967433582 /nfs/dbraw/zinc/43/35/82/967433582.db2.gz ZLDGUTPHFMSVOF-QGZVFWFLSA-N 2 2 410.562 3.938 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045790005 967552957 /nfs/dbraw/zinc/55/29/57/967552957.db2.gz BZLNTNISUSKOBA-UHFFFAOYSA-N 2 2 400.592 3.616 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045790005 967552959 /nfs/dbraw/zinc/55/29/59/967552959.db2.gz BZLNTNISUSKOBA-UHFFFAOYSA-N 2 2 400.592 3.616 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000046309556 967735480 /nfs/dbraw/zinc/73/54/80/967735480.db2.gz RTUBQUSHMYKZJM-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000046309556 967735489 /nfs/dbraw/zinc/73/54/89/967735489.db2.gz RTUBQUSHMYKZJM-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000554050935 1013774406 /nfs/dbraw/zinc/77/44/06/1013774406.db2.gz XWJSHWPCNPRHRH-DENIHFKCSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000554050935 1013774413 /nfs/dbraw/zinc/77/44/13/1013774413.db2.gz XWJSHWPCNPRHRH-DENIHFKCSA-N 2 2 414.594 3.778 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000047937673 968372149 /nfs/dbraw/zinc/37/21/49/968372149.db2.gz SAYFRDSGSJPXTK-HSZRJFAPSA-N 2 2 405.546 3.596 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000097592262 969174029 /nfs/dbraw/zinc/17/40/29/969174029.db2.gz SDXNBYUUKRPNHJ-VSKRKVRLSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000097592262 969174034 /nfs/dbraw/zinc/17/40/34/969174034.db2.gz SDXNBYUUKRPNHJ-VSKRKVRLSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000097592262 969174035 /nfs/dbraw/zinc/17/40/35/969174035.db2.gz SDXNBYUUKRPNHJ-VSKRKVRLSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000097592262 969174039 /nfs/dbraw/zinc/17/40/39/969174039.db2.gz SDXNBYUUKRPNHJ-VSKRKVRLSA-N 2 2 421.585 3.642 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1Cl ZINC000554215179 1013857634 /nfs/dbraw/zinc/85/76/34/1013857634.db2.gz ZZECAKNVSPIQAH-IBGZPJMESA-N 2 2 403.958 3.755 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109399735 969512077 /nfs/dbraw/zinc/51/20/77/969512077.db2.gz DSHQZRXNKBNACB-FQEVSTJZSA-N 2 2 422.504 3.952 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109399735 969512084 /nfs/dbraw/zinc/51/20/84/969512084.db2.gz DSHQZRXNKBNACB-FQEVSTJZSA-N 2 2 422.504 3.952 20 0 HHADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(Cl)c1 ZINC000109700581 969550855 /nfs/dbraw/zinc/55/08/55/969550855.db2.gz YHMBYTQZGLWIHC-UHFFFAOYSA-N 2 2 403.979 3.959 20 0 HHADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(Cl)c1 ZINC000109700581 969550860 /nfs/dbraw/zinc/55/08/60/969550860.db2.gz YHMBYTQZGLWIHC-UHFFFAOYSA-N 2 2 403.979 3.959 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cs1 ZINC000110443163 969669034 /nfs/dbraw/zinc/66/90/34/969669034.db2.gz KZUQMPUWDALZQP-FQEVSTJZSA-N 2 2 416.591 3.600 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000138600230 970003997 /nfs/dbraw/zinc/00/39/97/970003997.db2.gz UCEVZRHRAWRBDK-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000138600230 970004005 /nfs/dbraw/zinc/00/40/05/970004005.db2.gz UCEVZRHRAWRBDK-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3Cc3ccccc3)CC2)CC1 ZINC000215979059 970058830 /nfs/dbraw/zinc/05/88/30/970058830.db2.gz AYMKGIGLDMYCRZ-UHFFFAOYSA-N 2 2 406.574 3.958 20 0 HHADLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccs1 ZINC000237157586 970233551 /nfs/dbraw/zinc/23/35/51/970233551.db2.gz PGIOZKGAAXQKEQ-HDICACEKSA-N 2 2 404.576 3.925 20 0 HHADLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccs1 ZINC000237157586 970233557 /nfs/dbraw/zinc/23/35/57/970233557.db2.gz PGIOZKGAAXQKEQ-HDICACEKSA-N 2 2 404.576 3.925 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000145542697 970264481 /nfs/dbraw/zinc/26/44/81/970264481.db2.gz AFYBHTPLJGLSCH-QAPCUYQASA-N 2 2 411.472 3.673 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542311 1013974489 /nfs/dbraw/zinc/97/44/89/1013974489.db2.gz AIJHJPIDYZJJEA-FQEVSTJZSA-N 2 2 424.936 3.938 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237518717 970306897 /nfs/dbraw/zinc/30/68/97/970306897.db2.gz YQDBKHYNGZZALA-DYXWJJEUSA-N 2 2 402.583 3.529 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000237518717 970306908 /nfs/dbraw/zinc/30/69/08/970306908.db2.gz YQDBKHYNGZZALA-DYXWJJEUSA-N 2 2 402.583 3.529 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000303970503 972558112 /nfs/dbraw/zinc/55/81/12/972558112.db2.gz SHXNUNAVZLSZTC-SJORKVTESA-N 2 2 407.961 3.649 20 0 HHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390701983 972826782 /nfs/dbraw/zinc/82/67/82/972826782.db2.gz UENFBVMBJUIQRB-HRTMPFAESA-N 2 2 417.594 3.703 20 0 HHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390701983 972826805 /nfs/dbraw/zinc/82/68/05/972826805.db2.gz UENFBVMBJUIQRB-HRTMPFAESA-N 2 2 417.594 3.703 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977423 972873678 /nfs/dbraw/zinc/87/36/78/972873678.db2.gz LDQIPWPDIYNGEP-UZLBHIALSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977423 972873694 /nfs/dbraw/zinc/87/36/94/972873694.db2.gz LDQIPWPDIYNGEP-UZLBHIALSA-N 2 2 416.363 3.888 20 0 HHADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000554841312 1014070620 /nfs/dbraw/zinc/07/06/20/1014070620.db2.gz BBLATAYIDKCZQI-QFIPXVFZSA-N 2 2 422.573 3.842 20 0 HHADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000554841312 1014070631 /nfs/dbraw/zinc/07/06/31/1014070631.db2.gz BBLATAYIDKCZQI-QFIPXVFZSA-N 2 2 422.573 3.842 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(c2ccccc2)=N1 ZINC000554842527 1014071594 /nfs/dbraw/zinc/07/15/94/1014071594.db2.gz YDOZTFNOJXAUIY-QHCPKHFHSA-N 2 2 404.558 3.513 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC(c2ccccc2)=N1 ZINC000554842527 1014071598 /nfs/dbraw/zinc/07/15/98/1014071598.db2.gz YDOZTFNOJXAUIY-QHCPKHFHSA-N 2 2 404.558 3.513 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628892 973075594 /nfs/dbraw/zinc/07/55/94/973075594.db2.gz DMBVCSYLFLIVET-TZIWHRDSSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628892 973075603 /nfs/dbraw/zinc/07/56/03/973075603.db2.gz DMBVCSYLFLIVET-TZIWHRDSSA-N 2 2 413.610 3.906 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976845 974084112 /nfs/dbraw/zinc/08/41/12/974084112.db2.gz IHTISTGYUPOWIB-OALUTQOASA-N 2 2 423.483 3.685 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976845 974084128 /nfs/dbraw/zinc/08/41/28/974084128.db2.gz IHTISTGYUPOWIB-OALUTQOASA-N 2 2 423.483 3.685 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426023002 974142859 /nfs/dbraw/zinc/14/28/59/974142859.db2.gz PBZQHLXEBXKURV-ZRBLBEILSA-N 2 2 409.578 3.921 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426022999 974143251 /nfs/dbraw/zinc/14/32/51/974143251.db2.gz PBZQHLXEBXKURV-DNVJHFABSA-N 2 2 409.578 3.921 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426482378 974478480 /nfs/dbraw/zinc/47/84/80/974478480.db2.gz FDVXJVFBJQPIJY-XMMPIXPASA-N 2 2 400.526 3.841 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426482378 974478484 /nfs/dbraw/zinc/47/84/84/974478484.db2.gz FDVXJVFBJQPIJY-XMMPIXPASA-N 2 2 400.526 3.841 20 0 HHADLP Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CCC2)cc1 ZINC000427699346 975243643 /nfs/dbraw/zinc/24/36/43/975243643.db2.gz UIKRDTAYQQEPTK-WIOPSUGQSA-N 2 2 421.589 3.721 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1OC ZINC000427850341 975321003 /nfs/dbraw/zinc/32/10/03/975321003.db2.gz AOJKIMOJGFMUKB-YOEHRIQHSA-N 2 2 412.559 3.922 20 0 HHADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000428240132 975556060 /nfs/dbraw/zinc/55/60/60/975556060.db2.gz CKKFBENSVGVRAM-HXUWFJFHSA-N 2 2 402.420 3.999 20 0 HHADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000428240132 975556064 /nfs/dbraw/zinc/55/60/64/975556064.db2.gz CKKFBENSVGVRAM-HXUWFJFHSA-N 2 2 402.420 3.999 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C(C)(C)c3cccc(F)c3)n2)CC1 ZINC000428323465 975628938 /nfs/dbraw/zinc/62/89/38/975628938.db2.gz JHYRJFXIMLRBEB-UHFFFAOYSA-N 2 2 404.555 3.978 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428426635 975742014 /nfs/dbraw/zinc/74/20/14/975742014.db2.gz YICKUIRRMXRWCU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428426635 975742019 /nfs/dbraw/zinc/74/20/19/975742019.db2.gz YICKUIRRMXRWCU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428426635 975742026 /nfs/dbraw/zinc/74/20/26/975742026.db2.gz YICKUIRRMXRWCU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428426635 975742038 /nfs/dbraw/zinc/74/20/38/975742038.db2.gz YICKUIRRMXRWCU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP CCOc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430925 975745072 /nfs/dbraw/zinc/74/50/72/975745072.db2.gz JYAKBEWMLQOITF-HSZRJFAPSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430925 975745088 /nfs/dbraw/zinc/74/50/88/975745088.db2.gz JYAKBEWMLQOITF-HSZRJFAPSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430925 975745096 /nfs/dbraw/zinc/74/50/96/975745096.db2.gz JYAKBEWMLQOITF-HSZRJFAPSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430925 975745105 /nfs/dbraw/zinc/74/51/05/975745105.db2.gz JYAKBEWMLQOITF-HSZRJFAPSA-N 2 2 420.500 3.756 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428549317 975858888 /nfs/dbraw/zinc/85/88/88/975858888.db2.gz GJQQLRWVIWPGLE-LJQANCHMSA-N 2 2 404.938 3.738 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428549317 975858897 /nfs/dbraw/zinc/85/88/97/975858897.db2.gz GJQQLRWVIWPGLE-LJQANCHMSA-N 2 2 404.938 3.738 20 0 HHADLP C[C@]12CC[N@H+](CC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000428706967 975998692 /nfs/dbraw/zinc/99/86/92/975998692.db2.gz FDYQYRKBNGHDAT-GGPKGHCWSA-N 2 2 411.924 3.570 20 0 HHADLP C[C@]12CC[N@@H+](CC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000428706967 975998699 /nfs/dbraw/zinc/99/86/99/975998699.db2.gz FDYQYRKBNGHDAT-GGPKGHCWSA-N 2 2 411.924 3.570 20 0 HHADLP FC(F)(F)c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000428854774 976143979 /nfs/dbraw/zinc/14/39/79/976143979.db2.gz AYZIZIACVVXCPN-UHFFFAOYSA-N 2 2 400.466 3.768 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000429016027 976297138 /nfs/dbraw/zinc/29/71/38/976297138.db2.gz AKQGXWLSFGRNDS-WIYYLYMNSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000429016027 976297150 /nfs/dbraw/zinc/29/71/50/976297150.db2.gz AKQGXWLSFGRNDS-WIYYLYMNSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016027 976297157 /nfs/dbraw/zinc/29/71/57/976297157.db2.gz AKQGXWLSFGRNDS-WIYYLYMNSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016027 976297165 /nfs/dbraw/zinc/29/71/65/976297165.db2.gz AKQGXWLSFGRNDS-WIYYLYMNSA-N 2 2 420.395 3.589 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000429042994 976328295 /nfs/dbraw/zinc/32/82/95/976328295.db2.gz RNAOCNLTLMVXCH-DENIHFKCSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000429042994 976328308 /nfs/dbraw/zinc/32/83/08/976328308.db2.gz RNAOCNLTLMVXCH-DENIHFKCSA-N 2 2 403.530 3.725 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000429229738 976521899 /nfs/dbraw/zinc/52/18/99/976521899.db2.gz DNQOYOHBGIMVLD-IBGZPJMESA-N 2 2 420.504 3.955 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000429229738 976521911 /nfs/dbraw/zinc/52/19/11/976521911.db2.gz DNQOYOHBGIMVLD-IBGZPJMESA-N 2 2 420.504 3.955 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000429259987 976548011 /nfs/dbraw/zinc/54/80/11/976548011.db2.gz ZMHHXVCOWRZKPH-UHFFFAOYSA-N 2 2 412.559 3.520 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000429259987 976548025 /nfs/dbraw/zinc/54/80/25/976548025.db2.gz ZMHHXVCOWRZKPH-UHFFFAOYSA-N 2 2 412.559 3.520 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000429495007 976752062 /nfs/dbraw/zinc/75/20/62/976752062.db2.gz UMUBSCMMGCNJAF-JOCHJYFZSA-N 2 2 409.578 3.703 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000429495007 976752070 /nfs/dbraw/zinc/75/20/70/976752070.db2.gz UMUBSCMMGCNJAF-JOCHJYFZSA-N 2 2 409.578 3.703 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634642 976924296 /nfs/dbraw/zinc/92/42/96/976924296.db2.gz LZDHVKFBKHEECK-ZPMCFJSWSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634642 976924305 /nfs/dbraw/zinc/92/43/05/976924305.db2.gz LZDHVKFBKHEECK-ZPMCFJSWSA-N 2 2 416.614 3.655 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000430152107 977350900 /nfs/dbraw/zinc/35/09/00/977350900.db2.gz SPMNPPWKMIAUBG-HXUWFJFHSA-N 2 2 407.327 3.876 20 0 HHADLP Cc1ccc([C@@H](OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000430823630 977778570 /nfs/dbraw/zinc/77/85/70/977778570.db2.gz UDOFHYHPGKHPQD-RPBOFIJWSA-N 2 2 405.542 3.996 20 0 HHADLP C[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000430843768 977795412 /nfs/dbraw/zinc/79/54/12/977795412.db2.gz GCGGLSOKEDFXJU-KRWDZBQOSA-N 2 2 405.974 3.725 20 0 HHADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430844026 977795525 /nfs/dbraw/zinc/79/55/25/977795525.db2.gz IBGCSJDXXZMEMO-UXHICEINSA-N 2 2 403.958 3.621 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000430911381 977879229 /nfs/dbraw/zinc/87/92/29/977879229.db2.gz HGFSVQTVAJRINI-KRWDZBQOSA-N 2 2 422.451 3.508 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000430911381 977879255 /nfs/dbraw/zinc/87/92/55/977879255.db2.gz HGFSVQTVAJRINI-KRWDZBQOSA-N 2 2 422.451 3.508 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000430944387 977905397 /nfs/dbraw/zinc/90/53/97/977905397.db2.gz LVRAWWYRUPCFTR-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000430944387 977905405 /nfs/dbraw/zinc/90/54/05/977905405.db2.gz LVRAWWYRUPCFTR-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP FC(F)(F)c1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000433331327 979242457 /nfs/dbraw/zinc/24/24/57/979242457.db2.gz LUWGEYTWSGMGFF-UHFFFAOYSA-N 2 2 412.525 3.850 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433915446 979676914 /nfs/dbraw/zinc/67/69/14/979676914.db2.gz PTDLOHMEXKDHNH-HSZRJFAPSA-N 2 2 421.589 3.946 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433946120 979704911 /nfs/dbraw/zinc/70/49/11/979704911.db2.gz ODWJELKJOMYJHD-YOSAUDMPSA-N 2 2 422.573 3.922 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cccs2)CC1 ZINC000434001559 979748933 /nfs/dbraw/zinc/74/89/33/979748933.db2.gz DFXVJDIJSPARGW-UXHICEINSA-N 2 2 414.575 3.779 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434267899 980029375 /nfs/dbraw/zinc/02/93/75/980029375.db2.gz AKQBHAPZRRONTC-AGXSTUJCSA-N 2 2 415.544 3.620 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000434267899 980029383 /nfs/dbraw/zinc/02/93/83/980029383.db2.gz AKQBHAPZRRONTC-AGXSTUJCSA-N 2 2 415.544 3.620 20 0 HHADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503564 980216273 /nfs/dbraw/zinc/21/62/73/980216273.db2.gz IPYFVANNRPKMIY-SFHVURJKSA-N 2 2 409.452 3.813 20 0 HHADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503564 980216282 /nfs/dbraw/zinc/21/62/82/980216282.db2.gz IPYFVANNRPKMIY-SFHVURJKSA-N 2 2 409.452 3.813 20 0 HHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503564 980216287 /nfs/dbraw/zinc/21/62/87/980216287.db2.gz IPYFVANNRPKMIY-SFHVURJKSA-N 2 2 409.452 3.813 20 0 HHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503564 980216295 /nfs/dbraw/zinc/21/62/95/980216295.db2.gz IPYFVANNRPKMIY-SFHVURJKSA-N 2 2 409.452 3.813 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532190 980233075 /nfs/dbraw/zinc/23/30/75/980233075.db2.gz WJMSBDPDFWLKIR-IOMROCGXSA-N 2 2 416.614 3.791 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532190 980233081 /nfs/dbraw/zinc/23/30/81/980233081.db2.gz WJMSBDPDFWLKIR-IOMROCGXSA-N 2 2 416.614 3.791 20 0 HHADLP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434675995 980333545 /nfs/dbraw/zinc/33/35/45/980333545.db2.gz OQBGVHCQUHGZRV-DEOSSOPVSA-N 2 2 406.574 3.975 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683097 980337286 /nfs/dbraw/zinc/33/72/86/980337286.db2.gz YZHGGVGIUGCGSD-INIZCTEOSA-N 2 2 416.516 3.897 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccnn1CC1CCCCC1 ZINC000434689342 980341263 /nfs/dbraw/zinc/34/12/63/980341263.db2.gz ARJGDECNVDDWDL-UHFFFAOYSA-N 2 2 424.593 3.814 20 0 HHADLP O=C(CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000434904646 980483296 /nfs/dbraw/zinc/48/32/96/980483296.db2.gz ODEQRSOBXCLHCT-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP O=C(CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000434904646 980483299 /nfs/dbraw/zinc/48/32/99/980483299.db2.gz ODEQRSOBXCLHCT-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000435131492 980662105 /nfs/dbraw/zinc/66/21/05/980662105.db2.gz ZIQPWNIIZBTJHI-LEWJYISDSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000435131492 980662110 /nfs/dbraw/zinc/66/21/10/980662110.db2.gz ZIQPWNIIZBTJHI-LEWJYISDSA-N 2 2 422.573 3.818 20 0 HHADLP CC(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000435354852 980804135 /nfs/dbraw/zinc/80/41/35/980804135.db2.gz NIUZRVCFDLGHTH-UHFFFAOYSA-N 2 2 423.605 3.676 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000435790275 981032759 /nfs/dbraw/zinc/03/27/59/981032759.db2.gz LESRTFARPPEVAU-NOZRDPDXSA-N 2 2 416.569 3.822 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000435790275 981032766 /nfs/dbraw/zinc/03/27/66/981032766.db2.gz LESRTFARPPEVAU-NOZRDPDXSA-N 2 2 416.569 3.822 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000448468038 981805756 /nfs/dbraw/zinc/80/57/56/981805756.db2.gz SNIFFGTUXRAOJC-UXPWSPDFSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000448468038 981805763 /nfs/dbraw/zinc/80/57/63/981805763.db2.gz SNIFFGTUXRAOJC-UXPWSPDFSA-N 2 2 424.992 3.988 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000460345664 982116907 /nfs/dbraw/zinc/11/69/07/982116907.db2.gz DDXPWFCLBBXONI-IRXDYDNUSA-N 2 2 415.607 3.565 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000460482138 982274376 /nfs/dbraw/zinc/27/43/76/982274376.db2.gz ZBOJKSWDTODRBE-UHFFFAOYSA-N 2 2 401.448 3.525 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460492004 982281386 /nfs/dbraw/zinc/28/13/86/982281386.db2.gz OXLKSFFTKMJYGE-DEOSSOPVSA-N 2 2 421.585 3.873 20 0 HHADLP COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460498753 982288150 /nfs/dbraw/zinc/28/81/50/982288150.db2.gz QDUYPJCFHSMYES-OAQYLSRUSA-N 2 2 413.606 3.572 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460504799 982293371 /nfs/dbraw/zinc/29/33/71/982293371.db2.gz QATLEWHUTDGZLC-OALUTQOASA-N 2 2 423.523 3.875 20 0 HHADLP Cc1nc(-c2ccccc2)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460504821 982293460 /nfs/dbraw/zinc/29/34/60/982293460.db2.gz QJUSUDIHPJAJPN-UHFFFAOYSA-N 2 2 406.574 3.737 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460504800 982293571 /nfs/dbraw/zinc/29/35/71/982293571.db2.gz QATLEWHUTDGZLC-RBUKOAKNSA-N 2 2 423.523 3.875 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460505432 982294222 /nfs/dbraw/zinc/29/42/22/982294222.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 3 2 414.638 3.599 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460505432 982294225 /nfs/dbraw/zinc/29/42/25/982294225.db2.gz WZIKYXXBZCYPQO-UHFFFAOYSA-N 3 2 414.638 3.599 20 0 HHADLP CCCCN(C)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460511358 982299491 /nfs/dbraw/zinc/29/94/91/982299491.db2.gz VPGDFHSHJLMQEM-UHFFFAOYSA-N 2 2 400.611 3.603 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000437973446 982499702 /nfs/dbraw/zinc/49/97/02/982499702.db2.gz JGDKEXHKSBHEKJ-OAQYLSRUSA-N 2 2 417.985 3.931 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000437973446 982499704 /nfs/dbraw/zinc/49/97/04/982499704.db2.gz JGDKEXHKSBHEKJ-OAQYLSRUSA-N 2 2 417.985 3.931 20 0 HHADLP COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000438307385 982713465 /nfs/dbraw/zinc/71/34/65/982713465.db2.gz UTPUKJBUFMZGQI-FQEVSTJZSA-N 2 2 406.979 3.987 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574109 983456597 /nfs/dbraw/zinc/45/65/97/983456597.db2.gz QIVCPRGJUURCAS-AQNXPRMDSA-N 2 2 404.562 3.991 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)CC2)CC1 ZINC000440164965 983666740 /nfs/dbraw/zinc/66/67/40/983666740.db2.gz QKYOSVKUKODXQG-AREMUKBSSA-N 2 2 424.633 3.625 20 0 HHADLP C[N@H+](C[C@H](O)COCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440464828 983766820 /nfs/dbraw/zinc/76/68/20/983766820.db2.gz YMDORTYMBXHRLQ-QFIPXVFZSA-N 2 2 402.966 3.814 20 0 HHADLP C[N@@H+](C[C@H](O)COCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440464828 983766824 /nfs/dbraw/zinc/76/68/24/983766824.db2.gz YMDORTYMBXHRLQ-QFIPXVFZSA-N 2 2 402.966 3.814 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000440836068 983930133 /nfs/dbraw/zinc/93/01/33/983930133.db2.gz YTKKBGISBMJUHR-DEOSSOPVSA-N 2 2 417.557 3.599 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000440836068 983930136 /nfs/dbraw/zinc/93/01/36/983930136.db2.gz YTKKBGISBMJUHR-DEOSSOPVSA-N 2 2 417.557 3.599 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441007110 984019298 /nfs/dbraw/zinc/01/92/98/984019298.db2.gz CXBNOYBMKVVQQN-UHFFFAOYSA-N 2 2 403.615 3.913 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000441192977 984108484 /nfs/dbraw/zinc/10/84/84/984108484.db2.gz WZNVUMTZFDLDMM-HXUWFJFHSA-N 2 2 424.589 3.563 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000441192977 984108486 /nfs/dbraw/zinc/10/84/86/984108486.db2.gz WZNVUMTZFDLDMM-HXUWFJFHSA-N 2 2 424.589 3.563 20 0 HHADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322238 984182852 /nfs/dbraw/zinc/18/28/52/984182852.db2.gz GCIFEDAHTFRCTF-MBSDFSHPSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322238 984182856 /nfs/dbraw/zinc/18/28/56/984182856.db2.gz GCIFEDAHTFRCTF-MBSDFSHPSA-N 2 2 411.521 3.680 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccccc2C)c(C)c1 ZINC000441375176 984217298 /nfs/dbraw/zinc/21/72/98/984217298.db2.gz XQRZEFSWAFXZQG-URXFXBBRSA-N 2 2 404.558 3.887 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000441382081 984221378 /nfs/dbraw/zinc/22/13/78/984221378.db2.gz IVYZJTGALSPVON-FXAWDEMLSA-N 2 2 406.486 3.587 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407083 984235901 /nfs/dbraw/zinc/23/59/01/984235901.db2.gz SDDGPUCUPJCCAK-XAUMDUMWSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407083 984235909 /nfs/dbraw/zinc/23/59/09/984235909.db2.gz SDDGPUCUPJCCAK-XAUMDUMWSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407083 984235918 /nfs/dbraw/zinc/23/59/18/984235918.db2.gz SDDGPUCUPJCCAK-XAUMDUMWSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407083 984235926 /nfs/dbraw/zinc/23/59/26/984235926.db2.gz SDDGPUCUPJCCAK-XAUMDUMWSA-N 2 2 420.395 3.575 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000441751862 984430195 /nfs/dbraw/zinc/43/01/95/984430195.db2.gz KOQHMHHZOKFJAU-FQEVSTJZSA-N 2 2 424.589 3.928 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000441751862 984430202 /nfs/dbraw/zinc/43/02/02/984430202.db2.gz KOQHMHHZOKFJAU-FQEVSTJZSA-N 2 2 424.589 3.928 20 0 HHADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000442247544 984769849 /nfs/dbraw/zinc/76/98/49/984769849.db2.gz DXEKLTVCFUZGEW-QHCPKHFHSA-N 2 2 423.561 3.916 20 0 HHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000461979904 984964287 /nfs/dbraw/zinc/96/42/87/984964287.db2.gz ASNBVICNJOTOIZ-WOJBJXKFSA-N 2 2 404.599 3.882 20 0 HHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000461979902 984964566 /nfs/dbraw/zinc/96/45/66/984964566.db2.gz ASNBVICNJOTOIZ-PMACEKPBSA-N 2 2 404.599 3.882 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1C ZINC000462009551 984988498 /nfs/dbraw/zinc/98/84/98/984988498.db2.gz WFCKNAHRLQRNNB-UHFFFAOYSA-N 2 2 424.589 3.505 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217488 985197573 /nfs/dbraw/zinc/19/75/73/985197573.db2.gz AINRFRXGPVAZJH-SELNLUPBSA-N 2 2 403.530 3.753 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217488 985197579 /nfs/dbraw/zinc/19/75/79/985197579.db2.gz AINRFRXGPVAZJH-SELNLUPBSA-N 2 2 403.530 3.753 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792468 985217532 /nfs/dbraw/zinc/21/75/32/985217532.db2.gz MKVKHLXNKPFLGI-HOJAQTOUSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792468 985217541 /nfs/dbraw/zinc/21/75/41/985217541.db2.gz MKVKHLXNKPFLGI-HOJAQTOUSA-N 2 2 411.512 3.874 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000462520624 985470081 /nfs/dbraw/zinc/47/00/81/985470081.db2.gz JXFYVPKXVWOUJK-ZCNNSNEGSA-N 2 2 406.640 3.894 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000462520624 985470084 /nfs/dbraw/zinc/47/00/84/985470084.db2.gz JXFYVPKXVWOUJK-ZCNNSNEGSA-N 2 2 406.640 3.894 20 0 HHADLP Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)n1 ZINC000443321665 985492652 /nfs/dbraw/zinc/49/26/52/985492652.db2.gz RCJCRBBXKDJRDE-MRXNPFEDSA-N 2 2 402.296 3.923 20 0 HHADLP Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)n1 ZINC000443321665 985492656 /nfs/dbraw/zinc/49/26/56/985492656.db2.gz RCJCRBBXKDJRDE-MRXNPFEDSA-N 2 2 402.296 3.923 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462614732 985557757 /nfs/dbraw/zinc/55/77/57/985557757.db2.gz KFXFDSVDXQFWRV-RTWAWAEBSA-N 2 2 419.997 3.684 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462614732 985557764 /nfs/dbraw/zinc/55/77/64/985557764.db2.gz KFXFDSVDXQFWRV-RTWAWAEBSA-N 2 2 419.997 3.684 20 0 HHADLP FC(F)(F)COc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000462673528 985611675 /nfs/dbraw/zinc/61/16/75/985611675.db2.gz IBNCWFGFAFMYBJ-UHFFFAOYSA-N 2 2 407.480 3.930 20 0 HHADLP c1cc(C2CCCC2)ccc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000462775085 985710839 /nfs/dbraw/zinc/71/08/39/985710839.db2.gz GEFBZAYBESMNRX-HSZRJFAPSA-N 2 2 421.589 3.729 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468259259 985960938 /nfs/dbraw/zinc/96/09/38/985960938.db2.gz GGXVKKHZMRCUFM-YFXJRYMSSA-N 2 2 422.960 3.957 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468259259 985960948 /nfs/dbraw/zinc/96/09/48/985960948.db2.gz GGXVKKHZMRCUFM-YFXJRYMSSA-N 2 2 422.960 3.957 20 0 HHADLP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Br)cc1OCCCO ZINC000463031868 985991252 /nfs/dbraw/zinc/99/12/52/985991252.db2.gz GMQHITZSKGSTCI-AWEZNQCLSA-N 2 2 408.340 3.522 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463079475 986037026 /nfs/dbraw/zinc/03/70/26/986037026.db2.gz CCVJTNUFUGDIMF-BKMJKUGQSA-N 3 2 406.618 3.577 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463079475 986037037 /nfs/dbraw/zinc/03/70/37/986037037.db2.gz CCVJTNUFUGDIMF-BKMJKUGQSA-N 3 2 406.618 3.577 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000463122897 986087308 /nfs/dbraw/zinc/08/73/08/986087308.db2.gz HEQGWBBZKBUQFO-QFIPXVFZSA-N 2 2 415.940 3.881 20 0 HHADLP O=C1CCCN1C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000463135518 986102384 /nfs/dbraw/zinc/10/23/84/986102384.db2.gz CBRLDGVDQQNTMU-XMMPIXPASA-N 2 2 409.549 3.786 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000463197928 986169948 /nfs/dbraw/zinc/16/99/48/986169948.db2.gz KLFRVWMYBOWGJY-PKOBYXMFSA-N 2 2 404.580 3.812 20 0 HHADLP COCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463203996 986175754 /nfs/dbraw/zinc/17/57/54/986175754.db2.gz HNNRYCQKNLPZHZ-UHFFFAOYSA-N 2 2 400.538 3.956 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000463284032 986250567 /nfs/dbraw/zinc/25/05/67/986250567.db2.gz GFWHSHFXZGVRBX-GGAORHGYSA-N 2 2 400.611 3.614 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463284032 986250576 /nfs/dbraw/zinc/25/05/76/986250576.db2.gz GFWHSHFXZGVRBX-GGAORHGYSA-N 2 2 400.611 3.614 20 0 HHADLP O=S(=O)(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cn1cc[nH+]c1 ZINC000444062944 986264689 /nfs/dbraw/zinc/26/46/89/986264689.db2.gz CLHMEHMVFGZDMN-UHFFFAOYSA-N 2 2 410.543 3.718 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000444208415 986389937 /nfs/dbraw/zinc/38/99/37/986389937.db2.gz YKKYLPBIIFWOOY-JOCHJYFZSA-N 2 2 409.578 3.885 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463444711 986423486 /nfs/dbraw/zinc/42/34/86/986423486.db2.gz AVJBKTGLLGKMMA-AREMUKBSSA-N 2 2 407.602 3.516 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463444711 986423491 /nfs/dbraw/zinc/42/34/91/986423491.db2.gz AVJBKTGLLGKMMA-AREMUKBSSA-N 2 2 407.602 3.516 20 0 HHADLP O=C(CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000468762395 986476856 /nfs/dbraw/zinc/47/68/56/986476856.db2.gz ASCOUCVKUIZYIE-NRFANRHFSA-N 2 2 412.965 3.905 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000468992015 986697869 /nfs/dbraw/zinc/69/78/69/986697869.db2.gz RGMOXJOGNAJRAA-QHCPKHFHSA-N 2 2 408.546 3.821 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000469035582 986744724 /nfs/dbraw/zinc/74/47/24/986744724.db2.gz PNVIKPKTUQPQGE-REHUZNOOSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469198043 986922366 /nfs/dbraw/zinc/92/23/66/986922366.db2.gz VWUUMOMAZCCAMT-CVDCTZTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469198043 986922373 /nfs/dbraw/zinc/92/23/73/986922373.db2.gz VWUUMOMAZCCAMT-CVDCTZTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H](c1cccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1)[NH+]1CCOCC1 ZINC000469215195 986938243 /nfs/dbraw/zinc/93/82/43/986938243.db2.gz VEQFDOKGIZKSJP-GOSISDBHSA-N 2 2 402.498 3.893 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793581 986949184 /nfs/dbraw/zinc/94/91/84/986949184.db2.gz HVXWOBVSXAGCKF-URXFXBBRSA-N 2 2 420.532 3.987 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793581 986949197 /nfs/dbraw/zinc/94/91/97/986949197.db2.gz HVXWOBVSXAGCKF-URXFXBBRSA-N 2 2 420.532 3.987 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000444801513 986956277 /nfs/dbraw/zinc/95/62/77/986956277.db2.gz LGTWFFWDRRMGOJ-AUSIDOKSSA-N 2 2 420.582 3.835 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000444801513 986956283 /nfs/dbraw/zinc/95/62/83/986956283.db2.gz LGTWFFWDRRMGOJ-AUSIDOKSSA-N 2 2 420.582 3.835 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000444805975 986961502 /nfs/dbraw/zinc/96/15/02/986961502.db2.gz LIXAPRFQJDERDW-DEOSSOPVSA-N 2 2 416.569 3.871 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000444805975 986961509 /nfs/dbraw/zinc/96/15/09/986961509.db2.gz LIXAPRFQJDERDW-DEOSSOPVSA-N 2 2 416.569 3.871 20 0 HHADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Br ZINC000444893240 987041608 /nfs/dbraw/zinc/04/16/08/987041608.db2.gz FDCQZLXJEDPECY-UHFFFAOYSA-N 2 2 423.399 3.746 20 0 HHADLP CCCc1c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1-c1ccccc1 ZINC000444937791 987081363 /nfs/dbraw/zinc/08/13/63/987081363.db2.gz RZXWMHMHNHHJEM-UHFFFAOYSA-N 2 2 424.593 3.505 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000444966577 987098359 /nfs/dbraw/zinc/09/83/59/987098359.db2.gz LFIWJDIRBCABNQ-CTNGQTDRSA-N 2 2 409.578 3.973 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000444966581 987098419 /nfs/dbraw/zinc/09/84/19/987098419.db2.gz LFIWJDIRBCABNQ-PZJWPPBQSA-N 2 2 409.578 3.973 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000469430453 987117345 /nfs/dbraw/zinc/11/73/45/987117345.db2.gz RCWRALTXRRPFRW-ZJSXRUAMSA-N 2 2 423.605 3.626 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000469430453 987117347 /nfs/dbraw/zinc/11/73/47/987117347.db2.gz RCWRALTXRRPFRW-ZJSXRUAMSA-N 2 2 423.605 3.626 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469508059 987185167 /nfs/dbraw/zinc/18/51/67/987185167.db2.gz GJYGXWVXHDBGGQ-LEWJYISDSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469508059 987185170 /nfs/dbraw/zinc/18/51/70/987185170.db2.gz GJYGXWVXHDBGGQ-LEWJYISDSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469508059 987185174 /nfs/dbraw/zinc/18/51/74/987185174.db2.gz GJYGXWVXHDBGGQ-LEWJYISDSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469508059 987185175 /nfs/dbraw/zinc/18/51/75/987185175.db2.gz GJYGXWVXHDBGGQ-LEWJYISDSA-N 2 2 417.475 3.670 20 0 HHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606711 987270052 /nfs/dbraw/zinc/27/00/52/987270052.db2.gz JDEZRXWJYQFGPG-AUSIDOKSSA-N 2 2 419.560 3.900 20 0 HHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606711 987270057 /nfs/dbraw/zinc/27/00/57/987270057.db2.gz JDEZRXWJYQFGPG-AUSIDOKSSA-N 2 2 419.560 3.900 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469736563 987387429 /nfs/dbraw/zinc/38/74/29/987387429.db2.gz MMSORVYORJJNLI-PERKRYKHSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469736563 987387434 /nfs/dbraw/zinc/38/74/34/987387434.db2.gz MMSORVYORJJNLI-PERKRYKHSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469736561 987387631 /nfs/dbraw/zinc/38/76/31/987387631.db2.gz MMSORVYORJJNLI-GTCCEBARSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469736561 987387636 /nfs/dbraw/zinc/38/76/36/987387636.db2.gz MMSORVYORJJNLI-GTCCEBARSA-N 2 2 412.534 3.872 20 0 HHADLP CCCCOc1cc(OC)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469809053 987449102 /nfs/dbraw/zinc/44/91/02/987449102.db2.gz IEZKLLUBNXFQGM-UHFFFAOYSA-N 2 2 417.594 3.554 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)c3cccc(F)c3)CC2)CC1 ZINC000445521265 987577015 /nfs/dbraw/zinc/57/70/15/987577015.db2.gz WPHYAVMSDWYDOQ-XMMPIXPASA-N 2 2 424.564 3.773 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccccc2F)n1 ZINC000445807661 987868487 /nfs/dbraw/zinc/86/84/87/987868487.db2.gz LLYZRJXDTJPRPI-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccccc2F)n1 ZINC000445807661 987868497 /nfs/dbraw/zinc/86/84/97/987868497.db2.gz LLYZRJXDTJPRPI-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc32)([NH+]2CCCCC2)CC1 ZINC000464003941 988114502 /nfs/dbraw/zinc/11/45/02/988114502.db2.gz YPUUNPFWLWFSMN-UHFFFAOYSA-N 2 2 424.564 3.931 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470280353 988235726 /nfs/dbraw/zinc/23/57/26/988235726.db2.gz OGIMZGHMGNRAFR-SFHVURJKSA-N 2 2 409.456 3.551 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000470282856 988238360 /nfs/dbraw/zinc/23/83/60/988238360.db2.gz LMSFYMSUAUYBQW-AYOQOUSVSA-N 2 2 423.483 3.797 20 0 HHADLP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000470721998 988747762 /nfs/dbraw/zinc/74/77/62/988747762.db2.gz FBBGGWJIURTQAL-RDPSFJRHSA-N 2 2 412.622 3.770 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470735299 988769906 /nfs/dbraw/zinc/76/99/06/988769906.db2.gz BFGPIEXMDVRRTE-PXNSSMCTSA-N 2 2 422.976 3.743 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000464783349 989011970 /nfs/dbraw/zinc/01/19/70/989011970.db2.gz JSPFJKZGSBWWRA-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000464783349 989011979 /nfs/dbraw/zinc/01/19/79/989011979.db2.gz JSPFJKZGSBWWRA-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801325 989030081 /nfs/dbraw/zinc/03/00/81/989030081.db2.gz DVZGPAYNRFXMJZ-HSZRJFAPSA-N 2 2 411.590 3.985 20 0 HHADLP CC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801325 989030086 /nfs/dbraw/zinc/03/00/86/989030086.db2.gz DVZGPAYNRFXMJZ-HSZRJFAPSA-N 2 2 411.590 3.985 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841017 989086612 /nfs/dbraw/zinc/08/66/12/989086612.db2.gz VWVDSFUWFFQRLH-RBBKRZOGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841017 989086620 /nfs/dbraw/zinc/08/66/20/989086620.db2.gz VWVDSFUWFFQRLH-RBBKRZOGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841017 989086639 /nfs/dbraw/zinc/08/66/39/989086639.db2.gz VWVDSFUWFFQRLH-RBBKRZOGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841017 989086646 /nfs/dbraw/zinc/08/66/46/989086646.db2.gz VWVDSFUWFFQRLH-RBBKRZOGSA-N 2 2 409.574 3.669 20 0 HHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170826 989297739 /nfs/dbraw/zinc/29/77/39/989297739.db2.gz UAKVSAMEOFZTHW-UHFFFAOYSA-N 2 2 420.557 3.913 20 0 HHADLP C[N@H+](CCOc1ccc(Br)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471175749 989303820 /nfs/dbraw/zinc/30/38/20/989303820.db2.gz CQBRAVKPEXKJTN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP C[N@@H+](CCOc1ccc(Br)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471175749 989303824 /nfs/dbraw/zinc/30/38/24/989303824.db2.gz CQBRAVKPEXKJTN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230687 989375173 /nfs/dbraw/zinc/37/51/73/989375173.db2.gz VPJKZYLZHJKZKM-JXFKEZNVSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230687 989375181 /nfs/dbraw/zinc/37/51/81/989375181.db2.gz VPJKZYLZHJKZKM-JXFKEZNVSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230687 989375194 /nfs/dbraw/zinc/37/51/94/989375194.db2.gz VPJKZYLZHJKZKM-JXFKEZNVSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230687 989375204 /nfs/dbraw/zinc/37/52/04/989375204.db2.gz VPJKZYLZHJKZKM-JXFKEZNVSA-N 2 2 403.954 3.878 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274593 989425881 /nfs/dbraw/zinc/42/58/81/989425881.db2.gz WXVPWPNFYRAZDO-IRLDBZIGSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274593 989425891 /nfs/dbraw/zinc/42/58/91/989425891.db2.gz WXVPWPNFYRAZDO-IRLDBZIGSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000465187392 989523038 /nfs/dbraw/zinc/52/30/38/989523038.db2.gz QQZNSUYOUVCVBA-IBGZPJMESA-N 2 2 404.514 3.904 20 0 HHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000465187392 989523052 /nfs/dbraw/zinc/52/30/52/989523052.db2.gz QQZNSUYOUVCVBA-IBGZPJMESA-N 2 2 404.514 3.904 20 0 HHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000465187393 989523959 /nfs/dbraw/zinc/52/39/59/989523959.db2.gz QQZNSUYOUVCVBA-LJQANCHMSA-N 2 2 404.514 3.904 20 0 HHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000465187393 989523966 /nfs/dbraw/zinc/52/39/66/989523966.db2.gz QQZNSUYOUVCVBA-LJQANCHMSA-N 2 2 404.514 3.904 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000465456336 989796717 /nfs/dbraw/zinc/79/67/17/989796717.db2.gz SDNITXONQYTAIH-QFIPXVFZSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@@H+]1C ZINC000465537807 989901184 /nfs/dbraw/zinc/90/11/84/989901184.db2.gz CUYCPJLBAOXYLQ-MDZRGWNJSA-N 2 2 410.965 3.740 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000465537807 989901191 /nfs/dbraw/zinc/90/11/91/989901191.db2.gz CUYCPJLBAOXYLQ-MDZRGWNJSA-N 2 2 410.965 3.740 20 0 HHADLP CC(C)Oc1cccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000465591913 989969987 /nfs/dbraw/zinc/96/99/87/989969987.db2.gz GITAHDGEZBEXBX-HXUWFJFHSA-N 2 2 416.610 3.784 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000465725219 990111049 /nfs/dbraw/zinc/11/10/49/990111049.db2.gz SRNOOGLVOFTSFC-QHCPKHFHSA-N 2 2 423.605 3.502 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465747899 990133703 /nfs/dbraw/zinc/13/37/03/990133703.db2.gz LNTMBYDYPXVRBL-PCCBWWKXSA-N 2 2 415.626 3.696 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465787981 990169701 /nfs/dbraw/zinc/16/97/01/990169701.db2.gz VGCAQGZUILZLMD-SFHVURJKSA-N 2 2 409.534 3.552 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465787981 990169706 /nfs/dbraw/zinc/16/97/06/990169706.db2.gz VGCAQGZUILZLMD-SFHVURJKSA-N 2 2 409.534 3.552 20 0 HHADLP CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465804932 990187131 /nfs/dbraw/zinc/18/71/31/990187131.db2.gz BMZVLRYCNUMYPY-HSZRJFAPSA-N 2 2 418.601 3.593 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000465857975 990968273 /nfs/dbraw/zinc/96/82/73/990968273.db2.gz ILPPHUXAQQWLME-KRWDZBQOSA-N 2 2 421.655 3.751 20 0 HHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465865963 990977875 /nfs/dbraw/zinc/97/78/75/990977875.db2.gz DZXZCDFCOKHWEA-QFIPXVFZSA-N 2 2 415.626 3.984 20 0 HHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465865963 990977883 /nfs/dbraw/zinc/97/78/83/990977883.db2.gz DZXZCDFCOKHWEA-QFIPXVFZSA-N 2 2 415.626 3.984 20 0 HHADLP Cc1ccccc1[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000465921959 991055115 /nfs/dbraw/zinc/05/51/15/991055115.db2.gz LEWQDBBMGYZBRR-JOCHJYFZSA-N 2 2 400.611 3.942 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956198 991096984 /nfs/dbraw/zinc/09/69/84/991096984.db2.gz ONNYJPNLTLCBSH-PKTZIBPZSA-N 2 2 412.622 3.647 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465984697 991143442 /nfs/dbraw/zinc/14/34/42/991143442.db2.gz RCGBCTMUOAJMAQ-UHFFFAOYSA-N 2 2 400.611 3.505 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC2(c3cccc(Cl)c3)CC2)([NH+]2CCCCC2)CC1 ZINC000465986737 991146670 /nfs/dbraw/zinc/14/66/70/991146670.db2.gz XCXAOWQKJDICSL-UHFFFAOYSA-N 2 2 419.013 3.621 20 0 HHADLP C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466139631 991320927 /nfs/dbraw/zinc/32/09/27/991320927.db2.gz CABRAUJDBSAGAH-GOSISDBHSA-N 2 2 407.002 3.993 20 0 HHADLP CC(C)CN(CCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143894 991327345 /nfs/dbraw/zinc/32/73/45/991327345.db2.gz QYOWOVBLAMVCIH-UHFFFAOYSA-N 2 2 414.638 3.847 20 0 HHADLP CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000466145790 991327839 /nfs/dbraw/zinc/32/78/39/991327839.db2.gz UWOQEIMYGMTJOG-FQEVSTJZSA-N 2 2 416.610 3.738 20 0 HHADLP CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000466145791 991328257 /nfs/dbraw/zinc/32/82/57/991328257.db2.gz UWOQEIMYGMTJOG-HXUWFJFHSA-N 2 2 416.610 3.738 20 0 HHADLP Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466146635 991329492 /nfs/dbraw/zinc/32/94/92/991329492.db2.gz PFJCWULRVQJEAJ-OAQYLSRUSA-N 2 2 400.611 3.956 20 0 HHADLP CCN(Cc1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466150365 991334163 /nfs/dbraw/zinc/33/41/63/991334163.db2.gz ZVFGAESUVZPQJG-UHFFFAOYSA-N 2 2 407.002 3.822 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2N2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000466153431 991339060 /nfs/dbraw/zinc/33/90/60/991339060.db2.gz KBVUMYKOYDJZQC-UHFFFAOYSA-N 2 2 413.610 3.749 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)([NH+]2CCCCC2)CC1 ZINC000466156654 991344231 /nfs/dbraw/zinc/34/42/31/991344231.db2.gz FGHLWMWAARDDEN-UHFFFAOYSA-N 2 2 414.569 3.575 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466881289 992202408 /nfs/dbraw/zinc/20/24/08/992202408.db2.gz QHENKBLWYRZCTJ-RTBURBONSA-N 2 2 403.571 3.661 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466881289 992202416 /nfs/dbraw/zinc/20/24/16/992202416.db2.gz QHENKBLWYRZCTJ-RTBURBONSA-N 2 2 403.571 3.661 20 0 HHADLP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000467185174 992507067 /nfs/dbraw/zinc/50/70/67/992507067.db2.gz ZBYWTZWLEXRUBS-UHFFFAOYSA-N 2 2 408.502 3.707 20 0 HHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000467424088 992724524 /nfs/dbraw/zinc/72/45/24/992724524.db2.gz GSUIURJANXVALC-JOCHJYFZSA-N 2 2 414.571 3.733 20 0 HHADLP CN1CCO[C@H]([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000467748967 992996034 /nfs/dbraw/zinc/99/60/34/992996034.db2.gz KTOSGTKGSXHHFF-LADGPHEKSA-N 2 2 424.976 3.789 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000472321028 993331835 /nfs/dbraw/zinc/33/18/35/993331835.db2.gz POVSIDGDLXPDMG-BGYRXZFFSA-N 2 2 402.583 3.636 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000472321028 993331839 /nfs/dbraw/zinc/33/18/39/993331839.db2.gz POVSIDGDLXPDMG-BGYRXZFFSA-N 2 2 402.583 3.636 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000480723467 993591638 /nfs/dbraw/zinc/59/16/38/993591638.db2.gz ZFVDFDWQAQJGRG-FQEVSTJZSA-N 2 2 418.589 3.564 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(OC)cc43)cc2)CC1 ZINC000480739364 993606005 /nfs/dbraw/zinc/60/60/05/993606005.db2.gz MUFGGBVTNFHZGK-DEOSSOPVSA-N 2 2 409.574 3.836 20 0 HHADLP O[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C[N@@H+]1CCc2ccccc2C1 ZINC000480790986 993660097 /nfs/dbraw/zinc/66/00/97/993660097.db2.gz XQWXTXFLCKQJOX-UTKZUKDTSA-N 2 2 419.338 3.584 20 0 HHADLP O[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C[N@H+]1CCc2ccccc2C1 ZINC000480790986 993660103 /nfs/dbraw/zinc/66/01/03/993660103.db2.gz XQWXTXFLCKQJOX-UTKZUKDTSA-N 2 2 419.338 3.584 20 0 HHADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480823229 993699478 /nfs/dbraw/zinc/69/94/78/993699478.db2.gz ZHKSZIKDFXIDIN-INIZCTEOSA-N 2 2 409.500 3.610 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc2ccccc2n1 ZINC000480884268 993746380 /nfs/dbraw/zinc/74/63/80/993746380.db2.gz WRASPOZBKGXVCF-IBGZPJMESA-N 2 2 418.541 3.746 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(F)cc1Cl ZINC000480907181 993762897 /nfs/dbraw/zinc/76/28/97/993762897.db2.gz IJRVSAFVLVWLNV-INIZCTEOSA-N 2 2 419.928 3.991 20 0 HHADLP COc1ccccc1[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCCCC1 ZINC000481175087 994005589 /nfs/dbraw/zinc/00/55/89/994005589.db2.gz LRPRZSZZLQCFKI-XMMPIXPASA-N 2 2 408.590 3.871 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181088 994011540 /nfs/dbraw/zinc/01/15/40/994011540.db2.gz LSUFMPLHBSFMSY-CNNODRBYSA-N 2 2 423.557 3.675 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181088 994011549 /nfs/dbraw/zinc/01/15/49/994011549.db2.gz LSUFMPLHBSFMSY-CNNODRBYSA-N 2 2 423.557 3.675 20 0 HHADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1OC ZINC000481186560 994018397 /nfs/dbraw/zinc/01/83/97/994018397.db2.gz DMFXVXKOHBUUGW-LJQANCHMSA-N 2 2 414.546 3.574 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481187342 994019827 /nfs/dbraw/zinc/01/98/27/994019827.db2.gz ZGTLMJJCFFDEFW-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481187342 994019837 /nfs/dbraw/zinc/01/98/37/994019837.db2.gz ZGTLMJJCFFDEFW-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191677 994025383 /nfs/dbraw/zinc/02/53/83/994025383.db2.gz REDMBYJECMQABW-MZLICYQSSA-N 2 2 418.585 3.715 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191677 994025390 /nfs/dbraw/zinc/02/53/90/994025390.db2.gz REDMBYJECMQABW-MZLICYQSSA-N 2 2 418.585 3.715 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195826 994029225 /nfs/dbraw/zinc/02/92/25/994029225.db2.gz YAWLRPKAGXIOAZ-OXJNMPFZSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195826 994029235 /nfs/dbraw/zinc/02/92/35/994029235.db2.gz YAWLRPKAGXIOAZ-OXJNMPFZSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196446 994030223 /nfs/dbraw/zinc/03/02/23/994030223.db2.gz ZEBRKUMTXPDKAB-MXBUBSDBSA-N 2 2 409.574 3.761 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196446 994030229 /nfs/dbraw/zinc/03/02/29/994030229.db2.gz ZEBRKUMTXPDKAB-MXBUBSDBSA-N 2 2 409.574 3.761 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000481297055 994111898 /nfs/dbraw/zinc/11/18/98/994111898.db2.gz CDCDHWHDKXPEEH-QGZVFWFLSA-N 2 2 404.551 3.853 20 0 HHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000481398837 994232039 /nfs/dbraw/zinc/23/20/39/994232039.db2.gz DSHNUUAFFMHRTL-OAQYLSRUSA-N 2 2 402.535 3.863 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550191 994383162 /nfs/dbraw/zinc/38/31/62/994383162.db2.gz ZYVZLTQWYURWIY-MSOLQXFVSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550191 994383174 /nfs/dbraw/zinc/38/31/74/994383174.db2.gz ZYVZLTQWYURWIY-MSOLQXFVSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556762 994390426 /nfs/dbraw/zinc/39/04/26/994390426.db2.gz KCOZJSPKGXPZOK-RBUKOAKNSA-N 2 2 405.546 3.647 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556762 994390438 /nfs/dbraw/zinc/39/04/38/994390438.db2.gz KCOZJSPKGXPZOK-RBUKOAKNSA-N 2 2 405.546 3.647 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481560459 994394320 /nfs/dbraw/zinc/39/43/20/994394320.db2.gz WTEXWVMSMDXEBZ-WZONZLPQSA-N 2 2 404.514 3.632 20 0 HHADLP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCc4[nH]cc[nH+]4)cc3)CC2)c1 ZINC000481628155 994494135 /nfs/dbraw/zinc/49/41/35/994494135.db2.gz QIRQZWCGMXUAOH-UHFFFAOYSA-N 2 2 403.530 3.612 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000473642908 994525170 /nfs/dbraw/zinc/52/51/70/994525170.db2.gz YKYXVBOBXVXFQP-IBGZPJMESA-N 2 2 414.594 3.998 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718494 994579633 /nfs/dbraw/zinc/57/96/33/994579633.db2.gz PZDDKWCLEZIIGB-LVXARBLLSA-N 3 2 422.617 3.802 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718494 994579644 /nfs/dbraw/zinc/57/96/44/994579644.db2.gz PZDDKWCLEZIIGB-LVXARBLLSA-N 3 2 422.617 3.802 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000482102773 995048964 /nfs/dbraw/zinc/04/89/64/995048964.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000482102773 995048972 /nfs/dbraw/zinc/04/89/72/995048972.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102773 995048983 /nfs/dbraw/zinc/04/89/83/995048983.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102773 995048988 /nfs/dbraw/zinc/04/89/88/995048988.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 2 2 419.569 3.754 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120063 995066799 /nfs/dbraw/zinc/06/67/99/995066799.db2.gz IPMISYFHGNVJIT-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120063 995066808 /nfs/dbraw/zinc/06/68/08/995066808.db2.gz IPMISYFHGNVJIT-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP Cc1cc2cc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc2cc1C ZINC000482127092 995075910 /nfs/dbraw/zinc/07/59/10/995075910.db2.gz ZPKNGXMWMLSRNT-LJQANCHMSA-N 2 2 406.530 3.834 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)sc1Cl ZINC000482142152 995092747 /nfs/dbraw/zinc/09/27/47/995092747.db2.gz ZXPHUDLBYMKMLO-ZDUSSCGKSA-N 2 2 413.374 3.839 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482149392 995101062 /nfs/dbraw/zinc/10/10/62/995101062.db2.gz JCDWYHCAFGBKTC-HOCLYGCPSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482149392 995101067 /nfs/dbraw/zinc/10/10/67/995101067.db2.gz JCDWYHCAFGBKTC-HOCLYGCPSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](C)C1 ZINC000482149368 995101195 /nfs/dbraw/zinc/10/11/95/995101195.db2.gz IYUQTHVXLFJFQT-GCJKJVERSA-N 2 2 414.569 3.727 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](C)C1 ZINC000482149368 995101202 /nfs/dbraw/zinc/10/12/02/995101202.db2.gz IYUQTHVXLFJFQT-GCJKJVERSA-N 2 2 414.569 3.727 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1cccc(OC)c1 ZINC000474432764 995394900 /nfs/dbraw/zinc/39/49/00/995394900.db2.gz LDGVFIGSVIZWEA-AVRDEDQJSA-N 2 2 412.578 3.846 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1cccc(OC)c1 ZINC000474432764 995394907 /nfs/dbraw/zinc/39/49/07/995394907.db2.gz LDGVFIGSVIZWEA-AVRDEDQJSA-N 2 2 412.578 3.846 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)([NH+]2CCCCC2)CC1 ZINC000474449016 995411319 /nfs/dbraw/zinc/41/13/19/995411319.db2.gz HSKCMIKJZJBEMQ-IFMALSPDSA-N 2 2 416.585 3.711 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)([NH+]2CCCCC2)CC1 ZINC000474449019 995411433 /nfs/dbraw/zinc/41/14/33/995411433.db2.gz HSKCMIKJZJBEMQ-RBBKRZOGSA-N 2 2 416.585 3.711 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474612162 995565018 /nfs/dbraw/zinc/56/50/18/995565018.db2.gz NUVMBPGUFDFFIS-MSOLQXFVSA-N 2 2 400.954 3.556 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595771 995596732 /nfs/dbraw/zinc/59/67/32/995596732.db2.gz ZQBBOXCJLCEDMN-YADHBBJMSA-N 2 2 407.562 3.580 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595771 995596737 /nfs/dbraw/zinc/59/67/37/995596737.db2.gz ZQBBOXCJLCEDMN-YADHBBJMSA-N 2 2 407.562 3.580 20 0 HHADLP CC(C)C[C@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000474735319 995669187 /nfs/dbraw/zinc/66/91/87/995669187.db2.gz KOYWRZZLQFTVOP-PKTZIBPZSA-N 2 2 423.605 3.702 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736386 995715483 /nfs/dbraw/zinc/71/54/83/995715483.db2.gz OUUXEVQQBHSQOA-SGNDLWITSA-N 2 2 407.558 3.782 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736386 995715485 /nfs/dbraw/zinc/71/54/85/995715485.db2.gz OUUXEVQQBHSQOA-SGNDLWITSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736386 995715489 /nfs/dbraw/zinc/71/54/89/995715489.db2.gz OUUXEVQQBHSQOA-SGNDLWITSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736386 995715494 /nfs/dbraw/zinc/71/54/94/995715494.db2.gz OUUXEVQQBHSQOA-SGNDLWITSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024262 995878000 /nfs/dbraw/zinc/87/80/00/995878000.db2.gz RERHSHVHPDCRHB-LPHOPBHVSA-N 2 2 414.377 3.531 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024262 995878005 /nfs/dbraw/zinc/87/80/05/995878005.db2.gz RERHSHVHPDCRHB-LPHOPBHVSA-N 2 2 414.377 3.531 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000475222441 996006686 /nfs/dbraw/zinc/00/66/86/996006686.db2.gz ASQVBOJVUGDKAM-XLIONFOSSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000475222441 996006691 /nfs/dbraw/zinc/00/66/91/996006691.db2.gz ASQVBOJVUGDKAM-XLIONFOSSA-N 2 2 405.384 3.926 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000483297677 996086274 /nfs/dbraw/zinc/08/62/74/996086274.db2.gz PQMLLRYGTASPFJ-RUZDIDTESA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000483297677 996086280 /nfs/dbraw/zinc/08/62/80/996086280.db2.gz PQMLLRYGTASPFJ-RUZDIDTESA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000483297677 996086284 /nfs/dbraw/zinc/08/62/84/996086284.db2.gz PQMLLRYGTASPFJ-RUZDIDTESA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000483297677 996086290 /nfs/dbraw/zinc/08/62/90/996086290.db2.gz PQMLLRYGTASPFJ-RUZDIDTESA-N 2 2 408.590 3.652 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000475368518 996094864 /nfs/dbraw/zinc/09/48/64/996094864.db2.gz LGYYIKZNXCMBSG-QFIPXVFZSA-N 2 2 412.484 3.885 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475692 996204569 /nfs/dbraw/zinc/20/45/69/996204569.db2.gz OMMMMXPDQLJBBC-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475692 996204574 /nfs/dbraw/zinc/20/45/74/996204574.db2.gz OMMMMXPDQLJBBC-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475692 996204581 /nfs/dbraw/zinc/20/45/81/996204581.db2.gz OMMMMXPDQLJBBC-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475692 996204587 /nfs/dbraw/zinc/20/45/87/996204587.db2.gz OMMMMXPDQLJBBC-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706665 996340077 /nfs/dbraw/zinc/34/00/77/996340077.db2.gz DDZNTRQKUJGBFG-QZTJIDSGSA-N 2 2 404.576 3.660 20 0 HHADLP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706665 996340080 /nfs/dbraw/zinc/34/00/80/996340080.db2.gz DDZNTRQKUJGBFG-QZTJIDSGSA-N 2 2 404.576 3.660 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483825513 996411725 /nfs/dbraw/zinc/41/17/25/996411725.db2.gz XWCRYZQQWCVIKC-JLHGSKIFSA-N 2 2 405.945 3.525 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483825513 996411728 /nfs/dbraw/zinc/41/17/28/996411728.db2.gz XWCRYZQQWCVIKC-JLHGSKIFSA-N 2 2 405.945 3.525 20 0 HHADLP C[N@H+](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)Cc1ccc(F)cc1 ZINC000483845715 996423028 /nfs/dbraw/zinc/42/30/28/996423028.db2.gz AGVXEJWUNOZGOV-UHFFFAOYSA-N 2 2 405.543 3.522 20 0 HHADLP C[N@@H+](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)Cc1ccc(F)cc1 ZINC000483845715 996423033 /nfs/dbraw/zinc/42/30/33/996423033.db2.gz AGVXEJWUNOZGOV-UHFFFAOYSA-N 2 2 405.543 3.522 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011773 996540260 /nfs/dbraw/zinc/54/02/60/996540260.db2.gz OBKGPYXGUJWVDS-ICSRJNTNSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011773 996540263 /nfs/dbraw/zinc/54/02/63/996540263.db2.gz OBKGPYXGUJWVDS-ICSRJNTNSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011773 996540267 /nfs/dbraw/zinc/54/02/67/996540267.db2.gz OBKGPYXGUJWVDS-ICSRJNTNSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011773 996540270 /nfs/dbraw/zinc/54/02/70/996540270.db2.gz OBKGPYXGUJWVDS-ICSRJNTNSA-N 2 2 409.578 3.546 20 0 HHADLP CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000476046282 996564964 /nfs/dbraw/zinc/56/49/64/996564964.db2.gz ZDEOXKHBHKEBKK-UHFFFAOYSA-N 2 2 418.969 3.655 20 0 HHADLP CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476046282 996564971 /nfs/dbraw/zinc/56/49/71/996564971.db2.gz ZDEOXKHBHKEBKK-UHFFFAOYSA-N 2 2 418.969 3.655 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125841 996584188 /nfs/dbraw/zinc/58/41/88/996584188.db2.gz CNGFXYOZUNEOBM-NSXLHWASSA-N 2 2 422.573 3.504 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125841 996584192 /nfs/dbraw/zinc/58/41/92/996584192.db2.gz CNGFXYOZUNEOBM-NSXLHWASSA-N 2 2 422.573 3.504 20 0 HHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151303 996601562 /nfs/dbraw/zinc/60/15/62/996601562.db2.gz GIEFOIRTZBLPLW-FCEUIQTBSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151303 996601567 /nfs/dbraw/zinc/60/15/67/996601567.db2.gz GIEFOIRTZBLPLW-FCEUIQTBSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151302 996601753 /nfs/dbraw/zinc/60/17/53/996601753.db2.gz GIEFOIRTZBLPLW-BVSLBCMMSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151302 996601758 /nfs/dbraw/zinc/60/17/58/996601758.db2.gz GIEFOIRTZBLPLW-BVSLBCMMSA-N 2 2 422.491 3.866 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000476176796 996656694 /nfs/dbraw/zinc/65/66/94/996656694.db2.gz ZFPBQNCKOJHFGK-QINHECLXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000476176796 996656699 /nfs/dbraw/zinc/65/66/99/996656699.db2.gz ZFPBQNCKOJHFGK-QINHECLXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000476176796 996656704 /nfs/dbraw/zinc/65/67/04/996656704.db2.gz ZFPBQNCKOJHFGK-QINHECLXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000476176796 996656711 /nfs/dbraw/zinc/65/67/11/996656711.db2.gz ZFPBQNCKOJHFGK-QINHECLXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)C2 ZINC000476303569 996743605 /nfs/dbraw/zinc/74/36/05/996743605.db2.gz WMMZCONOPVUCMM-GPJFCIFZSA-N 2 2 400.611 3.997 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924528 997299857 /nfs/dbraw/zinc/29/98/57/997299857.db2.gz IFFUDXIHLNZNBS-DNQXCXABSA-N 2 2 407.558 3.785 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924528 997299871 /nfs/dbraw/zinc/29/98/71/997299871.db2.gz IFFUDXIHLNZNBS-DNQXCXABSA-N 2 2 407.558 3.785 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972669 997341727 /nfs/dbraw/zinc/34/17/27/997341727.db2.gz RIKZGQDBRQAJHQ-WTOYTKOKSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972669 997341730 /nfs/dbraw/zinc/34/17/30/997341730.db2.gz RIKZGQDBRQAJHQ-WTOYTKOKSA-N 2 2 418.630 3.963 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000476827322 997388023 /nfs/dbraw/zinc/38/80/23/997388023.db2.gz WDBKQPZNADKBSD-UXHICEINSA-N 2 2 411.590 3.885 20 0 HHADLP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000485069829 997436946 /nfs/dbraw/zinc/43/69/46/997436946.db2.gz ZERHNYHWKQDKPG-UHFFFAOYSA-N 2 2 423.586 3.821 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000485295419 997698756 /nfs/dbraw/zinc/69/87/56/997698756.db2.gz YBTGJKDNPZSZIC-JOCHJYFZSA-N 2 2 409.578 3.570 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301006 997705968 /nfs/dbraw/zinc/70/59/68/997705968.db2.gz GUCBZQKIQIANRM-REWPJTCUSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301006 997705978 /nfs/dbraw/zinc/70/59/78/997705978.db2.gz GUCBZQKIQIANRM-REWPJTCUSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000485302800 997708693 /nfs/dbraw/zinc/70/86/93/997708693.db2.gz XJINKJYDHDOIBW-SFTDATJTSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000485302800 997708699 /nfs/dbraw/zinc/70/86/99/997708699.db2.gz XJINKJYDHDOIBW-SFTDATJTSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000485302798 997708850 /nfs/dbraw/zinc/70/88/50/997708850.db2.gz XJINKJYDHDOIBW-NHCUHLMSSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000485302798 997708855 /nfs/dbraw/zinc/70/88/55/997708855.db2.gz XJINKJYDHDOIBW-NHCUHLMSSA-N 2 2 423.605 3.959 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339528 997757842 /nfs/dbraw/zinc/75/78/42/997757842.db2.gz DIINTBGZVZXWNZ-NFBKMPQASA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339528 997757854 /nfs/dbraw/zinc/75/78/54/997757854.db2.gz DIINTBGZVZXWNZ-NFBKMPQASA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339528 997757867 /nfs/dbraw/zinc/75/78/67/997757867.db2.gz DIINTBGZVZXWNZ-NFBKMPQASA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339528 997757880 /nfs/dbraw/zinc/75/78/80/997757880.db2.gz DIINTBGZVZXWNZ-NFBKMPQASA-N 2 2 402.542 3.864 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000485373166 997799254 /nfs/dbraw/zinc/79/92/54/997799254.db2.gz DGQAFJBXJJWOAF-UHFFFAOYSA-N 2 2 403.958 3.621 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477225705 997899985 /nfs/dbraw/zinc/89/99/85/997899985.db2.gz WJHOKQXTZKHEKB-HXUWFJFHSA-N 2 2 424.992 3.817 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477225705 997900009 /nfs/dbraw/zinc/90/00/09/997900009.db2.gz WJHOKQXTZKHEKB-HXUWFJFHSA-N 2 2 424.992 3.817 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000485474757 997922953 /nfs/dbraw/zinc/92/29/53/997922953.db2.gz AHKBVDNRHXPBRV-UXHICEINSA-N 2 2 409.578 3.610 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000477290276 997975001 /nfs/dbraw/zinc/97/50/01/997975001.db2.gz NYASDXUKJORNKD-VQTJNVASSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000477290276 997975012 /nfs/dbraw/zinc/97/50/12/997975012.db2.gz NYASDXUKJORNKD-VQTJNVASSA-N 2 2 422.976 3.713 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339033 998027665 /nfs/dbraw/zinc/02/76/65/998027665.db2.gz FOBASSGUEOUKBY-SFTDATJTSA-N 2 2 424.589 3.604 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339033 998027676 /nfs/dbraw/zinc/02/76/76/998027676.db2.gz FOBASSGUEOUKBY-SFTDATJTSA-N 2 2 424.589 3.604 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(COC(C)(C)C)on2)CC1 ZINC000485705022 998169001 /nfs/dbraw/zinc/16/90/01/998169001.db2.gz NDRKLKGJSUVIAD-UHFFFAOYSA-N 2 2 400.567 3.812 20 0 HHADLP CN(c1ccccc1C[NH2+]Cc1cc(COC(C)(C)C)on1)C1CC[NH+](C)CC1 ZINC000485737867 998208911 /nfs/dbraw/zinc/20/89/11/998208911.db2.gz YYTUVNPSJNXSPM-UHFFFAOYSA-N 2 2 400.567 3.810 20 0 HHADLP Cc1cccc(N2CCC(Nc3cc[nH+]c(N[C@@H]4CCCO[C@H]4C(C)C)n3)CC2)[nH+]1 ZINC000485957265 998398297 /nfs/dbraw/zinc/39/82/97/998398297.db2.gz URAWDVYQCFHGTK-KNQAVFIVSA-N 2 2 410.566 3.876 20 0 HHADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000477818192 998572515 /nfs/dbraw/zinc/57/25/15/998572515.db2.gz MCFVSNRKIARPQB-HXUWFJFHSA-N 2 2 410.562 3.503 20 0 HHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486214304 998652414 /nfs/dbraw/zinc/65/24/14/998652414.db2.gz JZIFCMNABRZLKV-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486214304 998652417 /nfs/dbraw/zinc/65/24/17/998652417.db2.gz JZIFCMNABRZLKV-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000486278427 998692510 /nfs/dbraw/zinc/69/25/10/998692510.db2.gz ZCKIOAZOWPYGLR-QGZVFWFLSA-N 2 2 415.607 3.607 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487080707 999057535 /nfs/dbraw/zinc/05/75/35/999057535.db2.gz YSEPZUPEYKLYQI-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487080707 999057541 /nfs/dbraw/zinc/05/75/41/999057541.db2.gz YSEPZUPEYKLYQI-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219304 /nfs/dbraw/zinc/21/93/04/999219304.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 3 2 413.009 3.704 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219308 /nfs/dbraw/zinc/21/93/08/999219308.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 3 2 413.009 3.704 20 0 HHADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000479332466 999389594 /nfs/dbraw/zinc/38/95/94/999389594.db2.gz FNAYQILORXJATP-DEOSSOPVSA-N 2 2 423.601 3.879 20 0 HHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000479505615 999448728 /nfs/dbraw/zinc/44/87/28/999448728.db2.gz SSYLZCNMVFRZNG-YLZJTPGZSA-N 2 2 411.512 3.979 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1Cl ZINC000488924109 999648649 /nfs/dbraw/zinc/64/86/49/999648649.db2.gz XQIRRTDETIXRRL-AWEZNQCLSA-N 2 2 413.393 3.912 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126953 999707048 /nfs/dbraw/zinc/70/70/48/999707048.db2.gz JFAMERWVFOYBPO-LEWJYISDSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126953 999707050 /nfs/dbraw/zinc/70/70/50/999707050.db2.gz JFAMERWVFOYBPO-LEWJYISDSA-N 2 2 407.986 3.758 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147393 999711856 /nfs/dbraw/zinc/71/18/56/999711856.db2.gz KNQVBMAMPDYXEP-VXKWHMMOSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147393 999711859 /nfs/dbraw/zinc/71/18/59/999711859.db2.gz KNQVBMAMPDYXEP-VXKWHMMOSA-N 2 2 416.610 3.668 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149153 999712258 /nfs/dbraw/zinc/71/22/58/999712258.db2.gz ROMRSNDVMXKXCA-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149153 999712260 /nfs/dbraw/zinc/71/22/60/999712260.db2.gz ROMRSNDVMXKXCA-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000480084203 999712903 /nfs/dbraw/zinc/71/29/03/999712903.db2.gz PIGVXICSTSBQII-ZPZUNKDASA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000480084203 999712906 /nfs/dbraw/zinc/71/29/06/999712906.db2.gz PIGVXICSTSBQII-ZPZUNKDASA-N 2 2 408.590 3.727 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489244306 999729168 /nfs/dbraw/zinc/72/91/68/999729168.db2.gz ZRDYPLXCLUBNNB-OAQYLSRUSA-N 2 2 405.546 3.615 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489244306 999729171 /nfs/dbraw/zinc/72/91/71/999729171.db2.gz ZRDYPLXCLUBNNB-OAQYLSRUSA-N 2 2 405.546 3.615 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000489337234 999748153 /nfs/dbraw/zinc/74/81/53/999748153.db2.gz XDMCKYZXKAWZSV-PMACEKPBSA-N 2 2 424.589 3.894 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000489337234 999748155 /nfs/dbraw/zinc/74/81/55/999748155.db2.gz XDMCKYZXKAWZSV-PMACEKPBSA-N 2 2 424.589 3.894 20 0 HHADLP O=S1(=O)CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2cc(Br)ccc21 ZINC000480262133 999758654 /nfs/dbraw/zinc/75/86/54/999758654.db2.gz VVZKVZHIYQKZCX-INIZCTEOSA-N 2 2 424.364 3.545 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488610 999776992 /nfs/dbraw/zinc/77/69/92/999776992.db2.gz ATWYLBVJEFGHJK-AUSIDOKSSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488610 999776993 /nfs/dbraw/zinc/77/69/93/999776993.db2.gz ATWYLBVJEFGHJK-AUSIDOKSSA-N 2 2 403.530 3.582 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cc2)CC1 ZINC000480613974 999841682 /nfs/dbraw/zinc/84/16/82/999841682.db2.gz NPAAIHWNJTVTPD-NRFANRHFSA-N 2 2 413.949 3.731 20 0 HHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480621933 999843408 /nfs/dbraw/zinc/84/34/08/999843408.db2.gz XTHVBWDMSFSJKT-QGZVFWFLSA-N 2 2 415.965 3.977 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000491022095 1000034966 /nfs/dbraw/zinc/03/49/66/1000034966.db2.gz OXPGFGTUPVFODD-IERDGZPVSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000491022101 1000034969 /nfs/dbraw/zinc/03/49/69/1000034969.db2.gz OXPGFGTUPVFODD-KKSFZXQISA-N 2 2 420.370 3.903 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000491074252 1000042518 /nfs/dbraw/zinc/04/25/18/1000042518.db2.gz IBVICXWTXNSJHE-HSZRJFAPSA-N 2 2 406.574 3.811 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000491074252 1000042521 /nfs/dbraw/zinc/04/25/21/1000042521.db2.gz IBVICXWTXNSJHE-HSZRJFAPSA-N 2 2 406.574 3.811 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491857314 1000098036 /nfs/dbraw/zinc/09/80/36/1000098036.db2.gz SZZVEGWNJZXCSQ-NQIIRXRSSA-N 2 2 404.518 3.501 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491857314 1000098038 /nfs/dbraw/zinc/09/80/38/1000098038.db2.gz SZZVEGWNJZXCSQ-NQIIRXRSSA-N 2 2 404.518 3.501 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1)CC1CC1 ZINC000492046619 1000106633 /nfs/dbraw/zinc/10/66/33/1000106633.db2.gz SVCFGOONOOKDKL-UHFFFAOYSA-N 2 2 410.566 3.692 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1)CC1CC1 ZINC000492046619 1000106634 /nfs/dbraw/zinc/10/66/34/1000106634.db2.gz SVCFGOONOOKDKL-UHFFFAOYSA-N 2 2 410.566 3.692 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2)CC1 ZINC000492155744 1000112337 /nfs/dbraw/zinc/11/23/37/1000112337.db2.gz HCWQETPZKHRHFE-UHFFFAOYSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492850547 1000146731 /nfs/dbraw/zinc/14/67/31/1000146731.db2.gz GZNGQDFOJOAFSQ-AWEZNQCLSA-N 2 2 412.365 3.674 20 0 HHADLP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492850547 1000146734 /nfs/dbraw/zinc/14/67/34/1000146734.db2.gz GZNGQDFOJOAFSQ-AWEZNQCLSA-N 2 2 412.365 3.674 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494427480 1000487070 /nfs/dbraw/zinc/48/70/70/1000487070.db2.gz FUCRRHMEMSLLRE-GOTSBHOMSA-N 2 2 407.562 3.818 20 0 HHADLP C[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447687 1000497216 /nfs/dbraw/zinc/49/72/16/1000497216.db2.gz BSHVQQPPUGOEEI-DHIUTWEWSA-N 2 2 421.520 3.682 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447687 1000497219 /nfs/dbraw/zinc/49/72/19/1000497219.db2.gz BSHVQQPPUGOEEI-DHIUTWEWSA-N 2 2 421.520 3.682 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)c2C1 ZINC000494510732 1000532371 /nfs/dbraw/zinc/53/23/71/1000532371.db2.gz ZUANPCHSFXNAPF-UHFFFAOYSA-N 2 2 406.574 3.658 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)c2C1 ZINC000494510732 1000532375 /nfs/dbraw/zinc/53/23/75/1000532375.db2.gz ZUANPCHSFXNAPF-UHFFFAOYSA-N 2 2 406.574 3.658 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505222013 1000627880 /nfs/dbraw/zinc/62/78/80/1000627880.db2.gz DKAKXHRFZTWYNL-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505222013 1000627883 /nfs/dbraw/zinc/62/78/83/1000627883.db2.gz DKAKXHRFZTWYNL-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000505223229 1000628191 /nfs/dbraw/zinc/62/81/91/1000628191.db2.gz JDSDMTWLTQGTSB-NFBKMPQASA-N 2 2 406.574 3.702 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000494929139 1000735134 /nfs/dbraw/zinc/73/51/34/1000735134.db2.gz JBTINJPVHPXOSY-UHFFFAOYSA-N 2 2 412.559 3.666 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000494997732 1000770370 /nfs/dbraw/zinc/77/03/70/1000770370.db2.gz NYQHCMDBWFUQGO-XMSQKQJNSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000494997732 1000770373 /nfs/dbraw/zinc/77/03/73/1000770373.db2.gz NYQHCMDBWFUQGO-XMSQKQJNSA-N 2 2 406.555 3.825 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415444 1001004331 /nfs/dbraw/zinc/00/43/31/1001004331.db2.gz QCWCHRVUVLQLCJ-OXQOHEQNSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415444 1001004335 /nfs/dbraw/zinc/00/43/35/1001004335.db2.gz QCWCHRVUVLQLCJ-OXQOHEQNSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1Br ZINC000495622877 1001054341 /nfs/dbraw/zinc/05/43/41/1001054341.db2.gz GKDULVFGSGOWSP-MRXNPFEDSA-N 2 2 416.363 3.688 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774178 1001075200 /nfs/dbraw/zinc/07/52/00/1001075200.db2.gz HSXYEXBWERLPBI-ORYQWCPZSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774178 1001075209 /nfs/dbraw/zinc/07/52/09/1001075209.db2.gz HSXYEXBWERLPBI-ORYQWCPZSA-N 2 2 407.549 3.864 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000495787597 1001076899 /nfs/dbraw/zinc/07/68/99/1001076899.db2.gz FVFGFSUVBSVTNE-GOSISDBHSA-N 2 2 405.652 3.997 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000495787597 1001076905 /nfs/dbraw/zinc/07/69/05/1001076905.db2.gz FVFGFSUVBSVTNE-GOSISDBHSA-N 2 2 405.652 3.997 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000495820443 1001080874 /nfs/dbraw/zinc/08/08/74/1001080874.db2.gz QAMOYRZFOJQPFJ-UHFFFAOYSA-N 2 2 413.537 3.503 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000495820443 1001080879 /nfs/dbraw/zinc/08/08/79/1001080879.db2.gz QAMOYRZFOJQPFJ-UHFFFAOYSA-N 2 2 413.537 3.503 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505999340 1001153475 /nfs/dbraw/zinc/15/34/75/1001153475.db2.gz CHJLUNONNUUELK-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505999340 1001153481 /nfs/dbraw/zinc/15/34/81/1001153481.db2.gz CHJLUNONNUUELK-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000497790024 1001514663 /nfs/dbraw/zinc/51/46/63/1001514663.db2.gz DHDBDEIGNIYMQE-UHFFFAOYSA-N 2 2 400.567 3.688 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2ccccc2CC)CC1 ZINC000506789493 1001531116 /nfs/dbraw/zinc/53/11/16/1001531116.db2.gz LORHOTSQPQNSMZ-UHFFFAOYSA-N 2 2 408.590 3.852 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2ccccc2CC)CC1 ZINC000506789493 1001531119 /nfs/dbraw/zinc/53/11/19/1001531119.db2.gz LORHOTSQPQNSMZ-UHFFFAOYSA-N 2 2 408.590 3.852 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cc4ccccc4o3)c3cccnc3)cn2)CC1 ZINC000497859085 1001539715 /nfs/dbraw/zinc/53/97/15/1001539715.db2.gz QQNWMOKTVJXTTP-VWLOTQADSA-N 2 2 413.525 3.854 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922326 1001594734 /nfs/dbraw/zinc/59/47/34/1001594734.db2.gz OEYAYRUWMPMIFY-RTWAWAEBSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922326 1001594738 /nfs/dbraw/zinc/59/47/38/1001594738.db2.gz OEYAYRUWMPMIFY-RTWAWAEBSA-N 2 2 409.578 3.727 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507043027 1001778465 /nfs/dbraw/zinc/77/84/65/1001778465.db2.gz XURDARZHSVFYIF-GGAORHGYSA-N 2 2 423.605 3.974 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507056861 1001785192 /nfs/dbraw/zinc/78/51/92/1001785192.db2.gz JGZSWIKZAYMZOB-GGAORHGYSA-N 2 2 421.589 3.946 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097488 1001805891 /nfs/dbraw/zinc/80/58/91/1001805891.db2.gz PMFRECDLSHAEEW-PMACEKPBSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097488 1001805897 /nfs/dbraw/zinc/80/58/97/1001805897.db2.gz PMFRECDLSHAEEW-PMACEKPBSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577885 1001991582 /nfs/dbraw/zinc/99/15/82/1001991582.db2.gz AIWUCJPHMNJXBK-ZLNRFVROSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577885 1001991589 /nfs/dbraw/zinc/99/15/89/1001991589.db2.gz AIWUCJPHMNJXBK-ZLNRFVROSA-N 2 2 400.611 3.511 20 0 HHADLP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378907 1002034965 /nfs/dbraw/zinc/03/49/65/1002034965.db2.gz HBUWRPBMDIJKES-LPHOPBHVSA-N 2 2 410.965 3.647 20 0 HHADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378907 1002034953 /nfs/dbraw/zinc/03/49/53/1002034953.db2.gz HBUWRPBMDIJKES-LPHOPBHVSA-N 2 2 410.965 3.647 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH+]c2)CC1 ZINC000507510142 1002120430 /nfs/dbraw/zinc/12/04/30/1002120430.db2.gz MFAJLEHCUPPQCO-GVXSCFBNSA-N 3 2 419.617 3.935 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[nH+]c2)CC1 ZINC000507510142 1002120437 /nfs/dbraw/zinc/12/04/37/1002120437.db2.gz MFAJLEHCUPPQCO-GVXSCFBNSA-N 3 2 419.617 3.935 20 0 HHADLP CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508544731 1003019389 /nfs/dbraw/zinc/01/93/89/1003019389.db2.gz MLKMSVIQOYDLNB-UHFFFAOYSA-N 2 2 423.561 3.844 20 0 HHADLP CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508544731 1003019401 /nfs/dbraw/zinc/01/94/01/1003019401.db2.gz MLKMSVIQOYDLNB-UHFFFAOYSA-N 2 2 423.561 3.844 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccccc1Cl ZINC000508603010 1003058248 /nfs/dbraw/zinc/05/82/48/1003058248.db2.gz GLISUROOSFFOQC-NRFANRHFSA-N 2 2 418.006 3.922 20 0 HHADLP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508617784 1003071887 /nfs/dbraw/zinc/07/18/87/1003071887.db2.gz ZINOXKIVJSWDNV-HMFYCAOWSA-N 2 2 422.013 3.554 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000499764085 1003102263 /nfs/dbraw/zinc/10/22/63/1003102263.db2.gz PTWIIUYVINGJAV-NHCUHLMSSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000499764085 1003102267 /nfs/dbraw/zinc/10/22/67/1003102267.db2.gz PTWIIUYVINGJAV-NHCUHLMSSA-N 2 2 421.589 3.663 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690913 1003128687 /nfs/dbraw/zinc/12/86/87/1003128687.db2.gz LFJKHJXLRJMXJH-ILWGZMRPSA-N 2 2 400.588 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690913 1003128690 /nfs/dbraw/zinc/12/86/90/1003128690.db2.gz LFJKHJXLRJMXJH-ILWGZMRPSA-N 2 2 400.588 3.739 20 0 HHADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000509039762 1003509620 /nfs/dbraw/zinc/50/96/20/1003509620.db2.gz LMVAKGUYRHHSBD-HXUWFJFHSA-N 2 2 403.958 3.966 20 0 HHADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000509039762 1003509630 /nfs/dbraw/zinc/50/96/30/1003509630.db2.gz LMVAKGUYRHHSBD-HXUWFJFHSA-N 2 2 403.958 3.966 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000509108936 1003558944 /nfs/dbraw/zinc/55/89/44/1003558944.db2.gz KFFVKEJDGQLCHU-YADHBBJMSA-N 2 2 415.965 3.905 20 0 HHADLP Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509136739 1003579204 /nfs/dbraw/zinc/57/92/04/1003579204.db2.gz IVUUXGMNBICRNA-NRFANRHFSA-N 2 2 424.614 3.670 20 0 HHADLP Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509136739 1003579196 /nfs/dbraw/zinc/57/91/96/1003579196.db2.gz IVUUXGMNBICRNA-NRFANRHFSA-N 2 2 424.614 3.670 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC=C(c4ccccc4Cl)CC3)CC2)CC1 ZINC000509212858 1003627905 /nfs/dbraw/zinc/62/79/05/1003627905.db2.gz RURDWBGUFBLXIR-UHFFFAOYSA-N 2 2 416.997 3.697 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304839 1003695845 /nfs/dbraw/zinc/69/58/45/1003695845.db2.gz SBPZWTPCGGYOSM-RTWAWAEBSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304839 1003695847 /nfs/dbraw/zinc/69/58/47/1003695847.db2.gz SBPZWTPCGGYOSM-RTWAWAEBSA-N 2 2 402.583 3.741 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509470765 1003886618 /nfs/dbraw/zinc/88/66/18/1003886618.db2.gz MLCIBYCQHPLDCR-FQEVSTJZSA-N 2 2 416.363 3.546 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509470765 1003886631 /nfs/dbraw/zinc/88/66/31/1003886631.db2.gz MLCIBYCQHPLDCR-FQEVSTJZSA-N 2 2 416.363 3.546 20 0 HHADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511921602 1003894904 /nfs/dbraw/zinc/89/49/04/1003894904.db2.gz HOPREHDYYQYXAP-DLBZAZTESA-N 2 2 405.612 3.904 20 0 HHADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511921602 1003894923 /nfs/dbraw/zinc/89/49/23/1003894923.db2.gz HOPREHDYYQYXAP-DLBZAZTESA-N 2 2 405.612 3.904 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000509600872 1003972012 /nfs/dbraw/zinc/97/20/12/1003972012.db2.gz JWQGEOONDUZURB-BJLQDIEVSA-N 2 2 413.566 3.831 20 0 HHADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000512122715 1004038551 /nfs/dbraw/zinc/03/85/51/1004038551.db2.gz MCQANNGDOLZSFX-UHFFFAOYSA-N 2 2 415.344 3.879 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000512146611 1004056859 /nfs/dbraw/zinc/05/68/59/1004056859.db2.gz GMYZTDICSPCWAJ-QHCPKHFHSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000512146611 1004056870 /nfs/dbraw/zinc/05/68/70/1004056870.db2.gz GMYZTDICSPCWAJ-QHCPKHFHSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000512177987 1004080288 /nfs/dbraw/zinc/08/02/88/1004080288.db2.gz UKXFORVGVRBBQL-VXKWHMMOSA-N 2 2 408.546 3.545 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000512177987 1004080302 /nfs/dbraw/zinc/08/03/02/1004080302.db2.gz UKXFORVGVRBBQL-VXKWHMMOSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509790191 1004098244 /nfs/dbraw/zinc/09/82/44/1004098244.db2.gz NSIVHOLEWCCWHX-IFMALSPDSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000509790191 1004098248 /nfs/dbraw/zinc/09/82/48/1004098248.db2.gz NSIVHOLEWCCWHX-IFMALSPDSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501008357 1004113419 /nfs/dbraw/zinc/11/34/19/1004113419.db2.gz RJDHCUIIJSJDJW-VQIMIIECSA-N 2 2 410.965 3.790 20 0 HHADLP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501027756 1004131789 /nfs/dbraw/zinc/13/17/89/1004131789.db2.gz FWPFZHOIAGGEFK-IBGZPJMESA-N 2 2 412.981 3.845 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237254 1004139341 /nfs/dbraw/zinc/13/93/41/1004139341.db2.gz OKFFCCPBMWLUBJ-NLFFAJNJSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237254 1004139349 /nfs/dbraw/zinc/13/93/49/1004139349.db2.gz OKFFCCPBMWLUBJ-NLFFAJNJSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237254 1004139354 /nfs/dbraw/zinc/13/93/54/1004139354.db2.gz OKFFCCPBMWLUBJ-NLFFAJNJSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237254 1004139360 /nfs/dbraw/zinc/13/93/60/1004139360.db2.gz OKFFCCPBMWLUBJ-NLFFAJNJSA-N 2 2 409.549 3.943 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501049317 1004150345 /nfs/dbraw/zinc/15/03/45/1004150345.db2.gz BGTYFSDNLRMGQY-TXPKVOOTSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501049317 1004150351 /nfs/dbraw/zinc/15/03/51/1004150351.db2.gz BGTYFSDNLRMGQY-TXPKVOOTSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000509855726 1004152148 /nfs/dbraw/zinc/15/21/48/1004152148.db2.gz RCNOKBSUQNJNHP-KDURUIRLSA-N 2 2 410.562 3.679 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000509855726 1004152172 /nfs/dbraw/zinc/15/21/72/1004152172.db2.gz RCNOKBSUQNJNHP-KDURUIRLSA-N 2 2 410.562 3.679 20 0 HHADLP CC(C)c1ccc(-c2nc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000501093576 1004198533 /nfs/dbraw/zinc/19/85/33/1004198533.db2.gz BJRDRENPINAIDI-UHFFFAOYSA-N 2 2 415.603 3.593 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512355314 1004241979 /nfs/dbraw/zinc/24/19/79/1004241979.db2.gz VEHPWVHDAZGAEW-UHFFFAOYSA-N 2 2 419.573 3.533 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512355314 1004241986 /nfs/dbraw/zinc/24/19/86/1004241986.db2.gz VEHPWVHDAZGAEW-UHFFFAOYSA-N 2 2 419.573 3.533 20 0 HHADLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(SC)cc1OC ZINC000512359436 1004245628 /nfs/dbraw/zinc/24/56/28/1004245628.db2.gz GPQWJELYPUZKOG-UHFFFAOYSA-N 2 2 415.603 3.960 20 0 HHADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(SC)cc1OC ZINC000512359436 1004245638 /nfs/dbraw/zinc/24/56/38/1004245638.db2.gz GPQWJELYPUZKOG-UHFFFAOYSA-N 2 2 415.603 3.960 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512392117 1004265491 /nfs/dbraw/zinc/26/54/91/1004265491.db2.gz JCKBKZLMQHPGOX-PRTQVNTJSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000512392117 1004265501 /nfs/dbraw/zinc/26/55/01/1004265501.db2.gz JCKBKZLMQHPGOX-PRTQVNTJSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000512551158 1004378812 /nfs/dbraw/zinc/37/88/12/1004378812.db2.gz RDBZNKZPNZTEKK-FYYLOGMGSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000512551158 1004378820 /nfs/dbraw/zinc/37/88/20/1004378820.db2.gz RDBZNKZPNZTEKK-FYYLOGMGSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000501399088 1004392293 /nfs/dbraw/zinc/39/22/93/1004392293.db2.gz MNULTEDNTPBIPD-WOJBJXKFSA-N 2 2 416.610 3.882 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667440 1004477778 /nfs/dbraw/zinc/47/77/78/1004477778.db2.gz PLMFBLQGYPIZNG-UXHICEINSA-N 2 2 423.454 3.863 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667440 1004477780 /nfs/dbraw/zinc/47/77/80/1004477780.db2.gz PLMFBLQGYPIZNG-UXHICEINSA-N 2 2 423.454 3.863 20 0 HHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512692826 1004499053 /nfs/dbraw/zinc/49/90/53/1004499053.db2.gz ICNPDWIRDCEYRH-KDURUIRLSA-N 2 2 413.585 3.619 20 0 HHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512692826 1004499057 /nfs/dbraw/zinc/49/90/57/1004499057.db2.gz ICNPDWIRDCEYRH-KDURUIRLSA-N 2 2 413.585 3.619 20 0 HHADLP CCOc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000512696614 1004501011 /nfs/dbraw/zinc/50/10/11/1004501011.db2.gz CERMRSRAAYZSOT-HDICACEKSA-N 2 2 411.537 3.677 20 0 HHADLP CCOc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000512696614 1004501016 /nfs/dbraw/zinc/50/10/16/1004501016.db2.gz CERMRSRAAYZSOT-HDICACEKSA-N 2 2 411.537 3.677 20 0 HHADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701158 1004504428 /nfs/dbraw/zinc/50/44/28/1004504428.db2.gz JHFUAXSTGHALPO-LJQANCHMSA-N 2 2 422.602 3.567 20 0 HHADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701158 1004504432 /nfs/dbraw/zinc/50/44/32/1004504432.db2.gz JHFUAXSTGHALPO-LJQANCHMSA-N 2 2 422.602 3.567 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510592023 1004739302 /nfs/dbraw/zinc/73/93/02/1004739302.db2.gz OPGDDMNFJIARAR-QGLKVJOYSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510592023 1004739309 /nfs/dbraw/zinc/73/93/09/1004739309.db2.gz OPGDDMNFJIARAR-QGLKVJOYSA-N 2 2 416.610 3.784 20 0 HHADLP c1oc(-c2ccccc2)nc1CN1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000513055768 1004782311 /nfs/dbraw/zinc/78/23/11/1004782311.db2.gz CFMOVPKBONZLHO-UHFFFAOYSA-N 2 2 417.557 3.960 20 0 HHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000513102528 1004807082 /nfs/dbraw/zinc/80/70/82/1004807082.db2.gz ZKYZDRNDJGIYJI-ZACQAIPSSA-N 2 2 417.903 3.722 20 0 HHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000513102528 1004807086 /nfs/dbraw/zinc/80/70/86/1004807086.db2.gz ZKYZDRNDJGIYJI-ZACQAIPSSA-N 2 2 417.903 3.722 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@@H](C)C[NH+]3CCCCC3)c2c1C ZINC000513155960 1004835773 /nfs/dbraw/zinc/83/57/73/1004835773.db2.gz RRIYKZLRKAAXKM-AWEZNQCLSA-N 2 2 419.595 3.524 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000513494758 1004990396 /nfs/dbraw/zinc/99/03/96/1004990396.db2.gz JLSNWNDHOAXUEV-UHFFFAOYSA-N 2 2 418.541 3.582 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1)C(C)C ZINC000511077624 1005009361 /nfs/dbraw/zinc/00/93/61/1005009361.db2.gz CGUPJHVFQMHARV-UHFFFAOYSA-N 2 2 409.574 3.679 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1)C(C)C ZINC000511077624 1005009368 /nfs/dbraw/zinc/00/93/68/1005009368.db2.gz CGUPJHVFQMHARV-UHFFFAOYSA-N 2 2 409.574 3.679 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000502329148 1005015096 /nfs/dbraw/zinc/01/50/96/1005015096.db2.gz YVYHRKXARUZQQF-JMUQELJHSA-N 2 2 416.562 3.620 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000502329148 1005015102 /nfs/dbraw/zinc/01/51/02/1005015102.db2.gz YVYHRKXARUZQQF-JMUQELJHSA-N 2 2 416.562 3.620 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028782 /nfs/dbraw/zinc/02/87/82/1005028782.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 2 409.574 3.549 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028789 /nfs/dbraw/zinc/02/87/89/1005028789.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 2 409.574 3.549 20 0 HHADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028794 /nfs/dbraw/zinc/02/87/94/1005028794.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 2 409.574 3.549 20 0 HHADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000511120816 1005028798 /nfs/dbraw/zinc/02/87/98/1005028798.db2.gz MXCAOANJIJQEOZ-XMMPIXPASA-N 2 2 409.574 3.549 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000513683383 1005081023 /nfs/dbraw/zinc/08/10/23/1005081023.db2.gz JVBCIQHLNFFLRR-YFNKSVMNSA-N 2 2 412.599 3.741 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000513683383 1005081029 /nfs/dbraw/zinc/08/10/29/1005081029.db2.gz JVBCIQHLNFFLRR-YFNKSVMNSA-N 2 2 412.599 3.741 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511283919 1005106845 /nfs/dbraw/zinc/10/68/45/1005106845.db2.gz FWDIIJKIDBCJOB-VCOUNFBDSA-N 2 2 401.620 3.546 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511283919 1005106847 /nfs/dbraw/zinc/10/68/47/1005106847.db2.gz FWDIIJKIDBCJOB-VCOUNFBDSA-N 2 2 401.620 3.546 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)n2)C1 ZINC000511299937 1005114724 /nfs/dbraw/zinc/11/47/24/1005114724.db2.gz GCCZDQSLYRYXRW-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)n2)C1 ZINC000511299937 1005114726 /nfs/dbraw/zinc/11/47/26/1005114726.db2.gz GCCZDQSLYRYXRW-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP Fc1ccc(OCc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000513820869 1005144594 /nfs/dbraw/zinc/14/45/94/1005144594.db2.gz XQIHOJXGRWEXHO-UHFFFAOYSA-N 2 2 419.566 3.796 20 0 HHADLP Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)c4[nH+]ccn4c3)o2)cn2cc[nH+]c12 ZINC000502775686 1005212801 /nfs/dbraw/zinc/21/28/01/1005212801.db2.gz CAPWCMMVCNUWTO-UHFFFAOYSA-N 2 2 414.425 3.696 20 0 HHADLP Cc1cc(NC(=O)CC(C)CC(=O)Nc2cc(C)c3[nH+]ccn3c2)cn2cc[nH+]c12 ZINC000502810984 1005227253 /nfs/dbraw/zinc/22/72/53/1005227253.db2.gz NUAMNHSEZDPZHE-UHFFFAOYSA-N 2 2 404.474 3.592 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCCC1 ZINC000511581008 1005232869 /nfs/dbraw/zinc/23/28/69/1005232869.db2.gz OTXPRXHYPQQKDE-VAMGGRTRSA-N 2 2 402.583 3.539 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000514167459 1005296811 /nfs/dbraw/zinc/29/68/11/1005296811.db2.gz OCZYEUDJLUSCJS-RBUKOAKNSA-N 2 2 406.958 3.918 20 0 HHADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cs2)cc1 ZINC000514246452 1005331765 /nfs/dbraw/zinc/33/17/65/1005331765.db2.gz LQJRXHRSXGOLFV-JOCHJYFZSA-N 2 2 423.582 3.887 20 0 HHADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cs2)cc1 ZINC000514246452 1005331772 /nfs/dbraw/zinc/33/17/72/1005331772.db2.gz LQJRXHRSXGOLFV-JOCHJYFZSA-N 2 2 423.582 3.887 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503079431 1005341624 /nfs/dbraw/zinc/34/16/24/1005341624.db2.gz DIYGPPMYSOEXEA-YKSBVNFPSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503079431 1005341628 /nfs/dbraw/zinc/34/16/28/1005341628.db2.gz DIYGPPMYSOEXEA-YKSBVNFPSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000503085553 1005343579 /nfs/dbraw/zinc/34/35/79/1005343579.db2.gz GWEPEIWVXRUOAP-LJQANCHMSA-N 2 2 409.578 3.725 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N[C@@H]1CCCc2ccccc21 ZINC000503364427 1005398870 /nfs/dbraw/zinc/39/88/70/1005398870.db2.gz CXTQCJKQHHWZAV-NZQKXSOJSA-N 2 2 406.574 3.983 20 0 HHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N[C@@H]1CCCc2ccccc21 ZINC000503364427 1005398872 /nfs/dbraw/zinc/39/88/72/1005398872.db2.gz CXTQCJKQHHWZAV-NZQKXSOJSA-N 2 2 406.574 3.983 20 0 HHADLP C[C@H]1C[C@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000503386971 1005405200 /nfs/dbraw/zinc/40/52/00/1005405200.db2.gz VATRAFHVSRUEPX-GAJHUEQPSA-N 2 2 413.949 3.636 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639625 1005471051 /nfs/dbraw/zinc/47/10/51/1005471051.db2.gz LWIVFBNICFYRDH-ZCYQVOJMSA-N 2 2 420.601 3.695 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639625 1005471052 /nfs/dbraw/zinc/47/10/52/1005471052.db2.gz LWIVFBNICFYRDH-ZCYQVOJMSA-N 2 2 420.601 3.695 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503949887 1005517719 /nfs/dbraw/zinc/51/77/19/1005517719.db2.gz AWFPBDAPODLEGI-FQEVSTJZSA-N 2 2 420.395 3.577 20 0 HHADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503964093 1005521044 /nfs/dbraw/zinc/52/10/44/1005521044.db2.gz QKXWZOJMVRWKJC-IBGZPJMESA-N 2 2 422.411 3.965 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531077069 1005980933 /nfs/dbraw/zinc/98/09/33/1005980933.db2.gz FNFHIVXRRWVEDL-OAQYLSRUSA-N 2 2 411.937 3.687 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2c1 ZINC000534126139 1006101551 /nfs/dbraw/zinc/10/15/51/1006101551.db2.gz IETPJYQRTLHDDV-UHFFFAOYSA-N 2 2 418.541 3.778 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000514817866 1006149385 /nfs/dbraw/zinc/14/93/85/1006149385.db2.gz KGNKDPIVMRXTID-LJQANCHMSA-N 2 2 409.549 3.834 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3cccc(F)c3[C@H]2C)CC1 ZINC000514817866 1006149389 /nfs/dbraw/zinc/14/93/89/1006149389.db2.gz KGNKDPIVMRXTID-LJQANCHMSA-N 2 2 409.549 3.834 20 0 HHADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)c2cccs2)CC1 ZINC000514828140 1006158439 /nfs/dbraw/zinc/15/84/39/1006158439.db2.gz MIVPDZUTRDXBDJ-SFHVURJKSA-N 2 2 414.600 3.966 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534254480 1006262780 /nfs/dbraw/zinc/26/27/80/1006262780.db2.gz WZPASWFJSMILCL-GJYPPUQNSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534254480 1006262787 /nfs/dbraw/zinc/26/27/87/1006262787.db2.gz WZPASWFJSMILCL-GJYPPUQNSA-N 2 2 419.932 3.784 20 0 HHADLP CN(c1ccccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000531597348 1006295747 /nfs/dbraw/zinc/29/57/47/1006295747.db2.gz FJSHVCOQSHWPPY-UHFFFAOYSA-N 3 2 403.574 3.752 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358296 1006320222 /nfs/dbraw/zinc/32/02/22/1006320222.db2.gz ABZJLMVMERGHLW-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358296 1006320235 /nfs/dbraw/zinc/32/02/35/1006320235.db2.gz ABZJLMVMERGHLW-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358875 1006321657 /nfs/dbraw/zinc/32/16/57/1006321657.db2.gz PPWNMWJSXBTGNI-VQTJNVASSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358875 1006321667 /nfs/dbraw/zinc/32/16/67/1006321667.db2.gz PPWNMWJSXBTGNI-VQTJNVASSA-N 2 2 401.526 3.981 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359551 1006322951 /nfs/dbraw/zinc/32/29/51/1006322951.db2.gz KHWMTZPUCHXFLE-FCHUYYIVSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359551 1006322962 /nfs/dbraw/zinc/32/29/62/1006322962.db2.gz KHWMTZPUCHXFLE-FCHUYYIVSA-N 2 2 403.615 3.653 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360819 1006325947 /nfs/dbraw/zinc/32/59/47/1006325947.db2.gz QMHWMWVXILMBDE-RTWAWAEBSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360819 1006325960 /nfs/dbraw/zinc/32/59/60/1006325960.db2.gz QMHWMWVXILMBDE-RTWAWAEBSA-N 2 2 423.548 3.626 20 0 HHADLP COc1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCCC2)cc1 ZINC000531692524 1006358054 /nfs/dbraw/zinc/35/80/54/1006358054.db2.gz DAEYPAXEIWQOSM-RUZDIDTESA-N 2 2 408.590 3.871 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000531719559 1006377530 /nfs/dbraw/zinc/37/75/30/1006377530.db2.gz HSWGUSJJMATDFB-QGZVFWFLSA-N 2 2 410.002 3.556 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000515471858 1006484405 /nfs/dbraw/zinc/48/44/05/1006484405.db2.gz HVGDMSLDXGGNIM-DSKINZAPSA-N 2 2 401.576 3.615 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000515471860 1006485399 /nfs/dbraw/zinc/48/53/99/1006485399.db2.gz HVGDMSLDXGGNIM-HFSMHLIXSA-N 2 2 401.576 3.615 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000534520803 1006516835 /nfs/dbraw/zinc/51/68/35/1006516835.db2.gz SGXOZNWKNNISGL-IBGZPJMESA-N 2 2 406.621 3.720 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000534528680 1006521936 /nfs/dbraw/zinc/52/19/36/1006521936.db2.gz GGIPZPQHLSPKGJ-UGKGYDQZSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000534528680 1006521947 /nfs/dbraw/zinc/52/19/47/1006521947.db2.gz GGIPZPQHLSPKGJ-UGKGYDQZSA-N 2 2 412.603 3.628 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000531941037 1006533368 /nfs/dbraw/zinc/53/33/68/1006533368.db2.gz FZTFSZUCHOZKCC-JOCHJYFZSA-N 2 2 406.530 3.639 20 0 HHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000531958766 1006546223 /nfs/dbraw/zinc/54/62/23/1006546223.db2.gz ZBKRSYFMGSSCSE-BWKNWUBXSA-N 2 2 403.574 3.571 20 0 HHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000531958655 1006546648 /nfs/dbraw/zinc/54/66/48/1006546648.db2.gz YEEVDHSPFMYZAO-FDDCHVKYSA-N 2 2 424.980 3.560 20 0 HHADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531959020 1006547626 /nfs/dbraw/zinc/54/76/26/1006547626.db2.gz UXGKAOHIELHYEX-GOSISDBHSA-N 2 2 412.559 3.551 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CCC2 ZINC000531988207 1006562117 /nfs/dbraw/zinc/56/21/17/1006562117.db2.gz MXEDHMFFZYBFPV-ZFWWWQNUSA-N 2 2 410.440 3.974 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538415078 1006682873 /nfs/dbraw/zinc/68/28/73/1006682873.db2.gz XHNNTQIIYLJWOK-XMMPIXPASA-N 2 2 424.976 3.869 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538415078 1006682883 /nfs/dbraw/zinc/68/28/83/1006682883.db2.gz XHNNTQIIYLJWOK-XMMPIXPASA-N 2 2 424.976 3.869 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534792342 1006795846 /nfs/dbraw/zinc/79/58/46/1006795846.db2.gz QTUXXENCZFOICW-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534792342 1006795852 /nfs/dbraw/zinc/79/58/52/1006795852.db2.gz QTUXXENCZFOICW-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)[C@@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535618 1006797692 /nfs/dbraw/zinc/79/76/92/1006797692.db2.gz SFCIPRUXPJXUGI-NVQXNPDNSA-N 2 2 422.617 3.698 20 0 HHADLP CCN1CC[NH+](Cc2ccc(N[C@@H](C)[C@@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535618 1006797705 /nfs/dbraw/zinc/79/77/05/1006797705.db2.gz SFCIPRUXPJXUGI-NVQXNPDNSA-N 2 2 422.617 3.698 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601931 1006872501 /nfs/dbraw/zinc/87/25/01/1006872501.db2.gz FKPVMWDQDFJARR-BPAFIMBUSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601931 1006872516 /nfs/dbraw/zinc/87/25/16/1006872516.db2.gz FKPVMWDQDFJARR-BPAFIMBUSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601931 1006872518 /nfs/dbraw/zinc/87/25/18/1006872518.db2.gz FKPVMWDQDFJARR-BPAFIMBUSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601931 1006872521 /nfs/dbraw/zinc/87/25/21/1006872521.db2.gz FKPVMWDQDFJARR-BPAFIMBUSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000538655302 1006928028 /nfs/dbraw/zinc/92/80/28/1006928028.db2.gz IZYLDEWOJAZUED-IBGZPJMESA-N 2 2 414.377 3.578 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947997 1006989342 /nfs/dbraw/zinc/98/93/42/1006989342.db2.gz JSABDAUULBZTOU-YADHBBJMSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947997 1006989353 /nfs/dbraw/zinc/98/93/53/1006989353.db2.gz JSABDAUULBZTOU-YADHBBJMSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947993 1006989468 /nfs/dbraw/zinc/98/94/68/1006989468.db2.gz JSABDAUULBZTOU-FCHUYYIVSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947993 1006989475 /nfs/dbraw/zinc/98/94/75/1006989475.db2.gz JSABDAUULBZTOU-FCHUYYIVSA-N 2 2 402.583 3.886 20 0 HHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c(C(C)(C)C)n2)cc1 ZINC000532628402 1007050318 /nfs/dbraw/zinc/05/03/18/1007050318.db2.gz RCWCLAQXETZYNZ-GOTSBHOMSA-N 2 2 410.606 3.946 20 0 HHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532628601 1007051206 /nfs/dbraw/zinc/05/12/06/1007051206.db2.gz JPORYHMPJAVEJS-YADHBBJMSA-N 2 2 415.965 3.781 20 0 HHADLP COc1ccc(OC(F)F)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000532674803 1007088932 /nfs/dbraw/zinc/08/89/32/1007088932.db2.gz GOGMHZAGFFBEBK-UHFFFAOYSA-N 2 2 406.477 3.834 20 0 HHADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000535086015 1007099020 /nfs/dbraw/zinc/09/90/20/1007099020.db2.gz NVBUSSNBNNPYJC-XMMPIXPASA-N 2 2 419.548 3.979 20 0 HHADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000535086015 1007099035 /nfs/dbraw/zinc/09/90/35/1007099035.db2.gz NVBUSSNBNNPYJC-XMMPIXPASA-N 2 2 419.548 3.979 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094426 1007109861 /nfs/dbraw/zinc/10/98/61/1007109861.db2.gz HWFQEVMNNNVQDH-FCHUYYIVSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094426 1007109863 /nfs/dbraw/zinc/10/98/63/1007109863.db2.gz HWFQEVMNNNVQDH-FCHUYYIVSA-N 2 2 400.542 3.716 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095020 1007110913 /nfs/dbraw/zinc/11/09/13/1007110913.db2.gz MAHSTTTZRLAESM-VQTJNVASSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095020 1007110914 /nfs/dbraw/zinc/11/09/14/1007110914.db2.gz MAHSTTTZRLAESM-VQTJNVASSA-N 2 2 404.624 3.603 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095542 1007111831 /nfs/dbraw/zinc/11/18/31/1007111831.db2.gz OAEQIHZCODFNBM-OALUTQOASA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095542 1007111840 /nfs/dbraw/zinc/11/18/40/1007111840.db2.gz OAEQIHZCODFNBM-OALUTQOASA-N 2 2 412.500 3.510 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096077 1007113383 /nfs/dbraw/zinc/11/33/83/1007113383.db2.gz SDHPTCQWMZSIGX-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096077 1007113389 /nfs/dbraw/zinc/11/33/89/1007113389.db2.gz SDHPTCQWMZSIGX-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108813 1007133758 /nfs/dbraw/zinc/13/37/58/1007133758.db2.gz BVKLSWGNRAFPBU-ZEQRLZLVSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108813 1007133766 /nfs/dbraw/zinc/13/37/66/1007133766.db2.gz BVKLSWGNRAFPBU-ZEQRLZLVSA-N 2 2 423.605 3.713 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535114410 1007140725 /nfs/dbraw/zinc/14/07/25/1007140725.db2.gz BWEJOYIXGFLXSK-WOJBJXKFSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535114410 1007140729 /nfs/dbraw/zinc/14/07/29/1007140729.db2.gz BWEJOYIXGFLXSK-WOJBJXKFSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535114406 1007140964 /nfs/dbraw/zinc/14/09/64/1007140964.db2.gz BWEJOYIXGFLXSK-PMACEKPBSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535114406 1007140972 /nfs/dbraw/zinc/14/09/72/1007140972.db2.gz BWEJOYIXGFLXSK-PMACEKPBSA-N 2 2 422.932 3.591 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532731348 1007140943 /nfs/dbraw/zinc/14/09/43/1007140943.db2.gz JJZDCLAEILBMFN-QFIPXVFZSA-N 2 2 402.498 3.800 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532731348 1007140949 /nfs/dbraw/zinc/14/09/49/1007140949.db2.gz JJZDCLAEILBMFN-QFIPXVFZSA-N 2 2 402.498 3.800 20 0 HHADLP CN(C(=O)N[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122562 1007156119 /nfs/dbraw/zinc/15/61/19/1007156119.db2.gz SWQCCVGZSZRQGW-QRQLOZEOSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)N[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122562 1007156125 /nfs/dbraw/zinc/15/61/25/1007156125.db2.gz SWQCCVGZSZRQGW-QRQLOZEOSA-N 2 2 400.558 3.543 20 0 HHADLP CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538937010 1007220569 /nfs/dbraw/zinc/22/05/69/1007220569.db2.gz XTLVEXFBRRWQJZ-QFIPXVFZSA-N 2 2 403.530 3.784 20 0 HHADLP CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538937010 1007220580 /nfs/dbraw/zinc/22/05/80/1007220580.db2.gz XTLVEXFBRRWQJZ-QFIPXVFZSA-N 2 2 403.530 3.784 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Oc4cnccn4)cc3)[nH+]c2)CC1 ZINC000532865905 1007254497 /nfs/dbraw/zinc/25/44/97/1007254497.db2.gz LEBVBEKXTUUXQV-UHFFFAOYSA-N 2 2 404.518 3.806 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265432 1007314064 /nfs/dbraw/zinc/31/40/64/1007314064.db2.gz INWHZMDHTKEKDG-HBMCJLEFSA-N 2 2 416.928 3.710 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265432 1007314078 /nfs/dbraw/zinc/31/40/78/1007314078.db2.gz INWHZMDHTKEKDG-HBMCJLEFSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265432 1007314092 /nfs/dbraw/zinc/31/40/92/1007314092.db2.gz INWHZMDHTKEKDG-HBMCJLEFSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265432 1007314108 /nfs/dbraw/zinc/31/41/08/1007314108.db2.gz INWHZMDHTKEKDG-HBMCJLEFSA-N 2 2 416.928 3.710 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898180 1007338313 /nfs/dbraw/zinc/33/83/13/1007338313.db2.gz OMDURNVUBIHRAT-NDXORKPFSA-N 2 2 418.944 3.887 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898180 1007338324 /nfs/dbraw/zinc/33/83/24/1007338324.db2.gz OMDURNVUBIHRAT-NDXORKPFSA-N 2 2 418.944 3.887 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000539051876 1007348233 /nfs/dbraw/zinc/34/82/33/1007348233.db2.gz CONTUXIMDVIDDG-HXUWFJFHSA-N 2 2 411.565 3.940 20 0 HHADLP COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000535325303 1007378193 /nfs/dbraw/zinc/37/81/93/1007378193.db2.gz GEJREISNWSEITK-UHFFFAOYSA-N 2 2 423.561 3.613 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115036 1007402319 /nfs/dbraw/zinc/40/23/19/1007402319.db2.gz ILIMXZSEPJHYOL-WOJBJXKFSA-N 2 2 410.965 3.788 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115036 1007402325 /nfs/dbraw/zinc/40/23/25/1007402325.db2.gz ILIMXZSEPJHYOL-WOJBJXKFSA-N 2 2 410.965 3.788 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000539150138 1007446581 /nfs/dbraw/zinc/44/65/81/1007446581.db2.gz WUXVXTCWTAAAKM-IAGOWNOFSA-N 2 2 411.384 3.539 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172849 1007514884 /nfs/dbraw/zinc/51/48/84/1007514884.db2.gz FKVQBAHRNJFPRA-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172849 1007514889 /nfs/dbraw/zinc/51/48/89/1007514889.db2.gz FKVQBAHRNJFPRA-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000539223500 1007515954 /nfs/dbraw/zinc/51/59/54/1007515954.db2.gz GCBCNEYLBQHXHQ-IBGZPJMESA-N 2 2 411.546 3.595 20 0 HHADLP CN(CC[N@H+](C)Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000539247999 1007540285 /nfs/dbraw/zinc/54/02/85/1007540285.db2.gz PDKCPTYDNPVYEI-UHFFFAOYSA-N 2 2 420.342 3.508 20 0 HHADLP CN(CC[N@@H+](C)Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000539247999 1007540298 /nfs/dbraw/zinc/54/02/98/1007540298.db2.gz PDKCPTYDNPVYEI-UHFFFAOYSA-N 2 2 420.342 3.508 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1c1ccccc1 ZINC000517342656 1007581453 /nfs/dbraw/zinc/58/14/53/1007581453.db2.gz KNFGSJISFKGSJY-ACIOBRDBSA-N 2 2 413.512 3.881 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1c1ccccc1 ZINC000517342656 1007581466 /nfs/dbraw/zinc/58/14/66/1007581466.db2.gz KNFGSJISFKGSJY-ACIOBRDBSA-N 2 2 413.512 3.881 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000517381461 1007612499 /nfs/dbraw/zinc/61/24/99/1007612499.db2.gz LYYVCEJZNXPYJM-HSZRJFAPSA-N 2 2 405.546 3.814 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000517438593 1007660603 /nfs/dbraw/zinc/66/06/03/1007660603.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000517438593 1007660609 /nfs/dbraw/zinc/66/06/09/1007660609.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000517438593 1007660613 /nfs/dbraw/zinc/66/06/13/1007660613.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000517438593 1007660619 /nfs/dbraw/zinc/66/06/19/1007660619.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 2 2 420.189 3.992 20 0 HHADLP O=C(C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000533371365 1007681658 /nfs/dbraw/zinc/68/16/58/1007681658.db2.gz KQGQCJJGWYILDU-FQEVSTJZSA-N 2 2 409.496 3.975 20 0 HHADLP O=C(C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000533371365 1007681669 /nfs/dbraw/zinc/68/16/69/1007681669.db2.gz KQGQCJJGWYILDU-FQEVSTJZSA-N 2 2 409.496 3.975 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443634 1007753925 /nfs/dbraw/zinc/75/39/25/1007753925.db2.gz UKIXHLGHGDOALC-QZTJIDSGSA-N 2 2 422.643 3.538 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443634 1007753939 /nfs/dbraw/zinc/75/39/39/1007753939.db2.gz UKIXHLGHGDOALC-QZTJIDSGSA-N 2 2 422.643 3.538 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000517566052 1007773201 /nfs/dbraw/zinc/77/32/01/1007773201.db2.gz NLCTWRCQQVIRKP-OXQOHEQNSA-N 2 2 403.958 3.617 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850543 1007863843 /nfs/dbraw/zinc/86/38/43/1007863843.db2.gz FLFGLFXOVVIBJG-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850543 1007863867 /nfs/dbraw/zinc/86/38/67/1007863867.db2.gz FLFGLFXOVVIBJG-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850893 1007864582 /nfs/dbraw/zinc/86/45/82/1007864582.db2.gz VCDKLOMQCXENNZ-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850893 1007864586 /nfs/dbraw/zinc/86/45/86/1007864586.db2.gz VCDKLOMQCXENNZ-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000517658947 1007871043 /nfs/dbraw/zinc/87/10/43/1007871043.db2.gz VJJRKVHVEHKTJO-UHFFFAOYSA-N 2 2 411.550 3.724 20 0 HHADLP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517664531 1007877976 /nfs/dbraw/zinc/87/79/76/1007877976.db2.gz YSNFEMZIZXCYPE-FQEVSTJZSA-N 2 2 406.574 3.510 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535871437 1007888602 /nfs/dbraw/zinc/88/86/02/1007888602.db2.gz JGDNJPWMRFZDDJ-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535871437 1007888613 /nfs/dbraw/zinc/88/86/13/1007888613.db2.gz JGDNJPWMRFZDDJ-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639998 1007947034 /nfs/dbraw/zinc/94/70/34/1007947034.db2.gz GIGYPOLQPGBIEC-YADHBBJMSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639998 1007947040 /nfs/dbraw/zinc/94/70/40/1007947040.db2.gz GIGYPOLQPGBIEC-YADHBBJMSA-N 2 2 400.567 3.690 20 0 HHADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000533639421 1007947055 /nfs/dbraw/zinc/94/70/55/1007947055.db2.gz DEFILPHURICNIU-DHLKQENFSA-N 2 2 410.558 3.655 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000535929170 1007952953 /nfs/dbraw/zinc/95/29/53/1007952953.db2.gz JRBMMDKLYSDWSP-JTHBVZDNSA-N 2 2 409.578 3.615 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646542 1007953944 /nfs/dbraw/zinc/95/39/44/1007953944.db2.gz BQNQMTHBFAXRMQ-XZOQPEGZSA-N 2 2 424.589 3.680 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646542 1007953949 /nfs/dbraw/zinc/95/39/49/1007953949.db2.gz BQNQMTHBFAXRMQ-XZOQPEGZSA-N 2 2 424.589 3.680 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646520 1007954466 /nfs/dbraw/zinc/95/44/66/1007954466.db2.gz BBXMPSYTLSRBAG-DNQXCXABSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646520 1007954478 /nfs/dbraw/zinc/95/44/78/1007954478.db2.gz BBXMPSYTLSRBAG-DNQXCXABSA-N 2 2 415.622 3.812 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648389 1007957871 /nfs/dbraw/zinc/95/78/71/1007957871.db2.gz NFKFXNHQFSMUDP-MOPGFXCFSA-N 2 2 406.640 3.984 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648389 1007957880 /nfs/dbraw/zinc/95/78/80/1007957880.db2.gz NFKFXNHQFSMUDP-MOPGFXCFSA-N 2 2 406.640 3.984 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648513 1007958751 /nfs/dbraw/zinc/95/87/51/1007958751.db2.gz KBLRMJIGBLQBRZ-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648513 1007958756 /nfs/dbraw/zinc/95/87/56/1007958756.db2.gz KBLRMJIGBLQBRZ-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000539653224 1007970504 /nfs/dbraw/zinc/97/05/04/1007970504.db2.gz QMJKYILWIGYFBY-DEOSSOPVSA-N 2 2 414.553 3.568 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1F ZINC000517803204 1007980069 /nfs/dbraw/zinc/98/00/69/1007980069.db2.gz JJUHFOWZDUOKBA-UHFFFAOYSA-N 2 2 421.520 3.656 20 0 HHADLP CN(C(=O)N[C@@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533674181 1007994051 /nfs/dbraw/zinc/99/40/51/1007994051.db2.gz KHGHHTCLHAFBTK-NJDAHSKKSA-N 2 2 416.635 3.812 20 0 HHADLP CN(C(=O)N[C@@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533674181 1007994054 /nfs/dbraw/zinc/99/40/54/1007994054.db2.gz KHGHHTCLHAFBTK-NJDAHSKKSA-N 2 2 416.635 3.812 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000535964374 1008000870 /nfs/dbraw/zinc/00/08/70/1008000870.db2.gz QIHLUQSWJHVZRD-LJQANCHMSA-N 2 2 408.468 3.572 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000535964374 1008000880 /nfs/dbraw/zinc/00/08/80/1008000880.db2.gz QIHLUQSWJHVZRD-LJQANCHMSA-N 2 2 408.468 3.572 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000539690599 1008009573 /nfs/dbraw/zinc/00/95/73/1008009573.db2.gz CPEVNCARTQXMEW-SFHVURJKSA-N 2 2 407.562 3.912 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539708082 1008025920 /nfs/dbraw/zinc/02/59/20/1008025920.db2.gz RPIXNNAGRBLHHP-NHCUHLMSSA-N 2 2 403.636 3.747 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539708082 1008025929 /nfs/dbraw/zinc/02/59/29/1008025929.db2.gz RPIXNNAGRBLHHP-NHCUHLMSSA-N 2 2 403.636 3.747 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517902976 1008046805 /nfs/dbraw/zinc/04/68/05/1008046805.db2.gz ZHZIPNFISHCBBP-HXUWFJFHSA-N 2 2 410.562 3.723 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517902976 1008046812 /nfs/dbraw/zinc/04/68/12/1008046812.db2.gz ZHZIPNFISHCBBP-HXUWFJFHSA-N 2 2 410.562 3.723 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000533849776 1008155357 /nfs/dbraw/zinc/15/53/57/1008155357.db2.gz HUGSDCFLZOQCFH-UHFFFAOYSA-N 2 2 401.501 3.730 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000533849776 1008155362 /nfs/dbraw/zinc/15/53/62/1008155362.db2.gz HUGSDCFLZOQCFH-UHFFFAOYSA-N 2 2 401.501 3.730 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000518099843 1008158704 /nfs/dbraw/zinc/15/87/04/1008158704.db2.gz IWMRAIBQNDHULT-FGYAAKKASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000518099843 1008158709 /nfs/dbraw/zinc/15/87/09/1008158709.db2.gz IWMRAIBQNDHULT-FGYAAKKASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000518099843 1008158713 /nfs/dbraw/zinc/15/87/13/1008158713.db2.gz IWMRAIBQNDHULT-FGYAAKKASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000518099843 1008158716 /nfs/dbraw/zinc/15/87/16/1008158716.db2.gz IWMRAIBQNDHULT-FGYAAKKASA-N 2 2 402.583 3.680 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539912138 1008180640 /nfs/dbraw/zinc/18/06/40/1008180640.db2.gz LTZIOULHPXUIOI-NHCUHLMSSA-N 2 2 406.640 3.659 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539912138 1008180644 /nfs/dbraw/zinc/18/06/44/1008180644.db2.gz LTZIOULHPXUIOI-NHCUHLMSSA-N 2 2 406.640 3.659 20 0 HHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000539955842 1008204858 /nfs/dbraw/zinc/20/48/58/1008204858.db2.gz YRAIGSLFVXHVKX-UHFFFAOYSA-N 2 2 418.545 3.715 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000540176679 1008323570 /nfs/dbraw/zinc/32/35/70/1008323570.db2.gz VQBHCTZUMOWUDO-AVRDEDQJSA-N 2 2 405.546 3.737 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000540176679 1008323575 /nfs/dbraw/zinc/32/35/75/1008323575.db2.gz VQBHCTZUMOWUDO-AVRDEDQJSA-N 2 2 405.546 3.737 20 0 HHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540177259 1008324201 /nfs/dbraw/zinc/32/42/01/1008324201.db2.gz AKOMDZGUTMESOW-RTBURBONSA-N 2 2 421.545 3.687 20 0 HHADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000540347753 1008391564 /nfs/dbraw/zinc/39/15/64/1008391564.db2.gz HYKUPGBBZPEBNJ-CYBMUJFWSA-N 2 2 405.474 3.634 20 0 HHADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000540347753 1008391567 /nfs/dbraw/zinc/39/15/67/1008391567.db2.gz HYKUPGBBZPEBNJ-CYBMUJFWSA-N 2 2 405.474 3.634 20 0 HHADLP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)C[C@@H]1C ZINC000540394833 1008415033 /nfs/dbraw/zinc/41/50/33/1008415033.db2.gz ABPAMISPWSFWQA-VXKWHMMOSA-N 3 2 422.617 3.849 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540475161 1008446222 /nfs/dbraw/zinc/44/62/22/1008446222.db2.gz FYFTZDZUJBJTRQ-XYJFISCASA-N 2 2 403.929 3.909 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540475161 1008446225 /nfs/dbraw/zinc/44/62/25/1008446225.db2.gz FYFTZDZUJBJTRQ-XYJFISCASA-N 2 2 403.929 3.909 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039518 1008621140 /nfs/dbraw/zinc/62/11/40/1008621140.db2.gz OKRMSKTUJLQFBR-NHCUHLMSSA-N 2 2 403.615 3.843 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040803 1008623414 /nfs/dbraw/zinc/62/34/14/1008623414.db2.gz KTMRPDVHXUIGAL-URXFXBBRSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040803 1008623423 /nfs/dbraw/zinc/62/34/23/1008623423.db2.gz KTMRPDVHXUIGAL-URXFXBBRSA-N 2 2 423.605 3.996 20 0 HHADLP Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(OCC[NH+](C)C)c1 ZINC000543042680 1008624105 /nfs/dbraw/zinc/62/41/05/1008624105.db2.gz NRHNICHLNDXELR-UHFFFAOYSA-N 2 2 413.566 3.856 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543043918 1008625925 /nfs/dbraw/zinc/62/59/25/1008625925.db2.gz AKLRQYVSVPMKCC-BGYRXZFFSA-N 2 2 403.615 3.841 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543043918 1008625934 /nfs/dbraw/zinc/62/59/34/1008625934.db2.gz AKLRQYVSVPMKCC-BGYRXZFFSA-N 2 2 403.615 3.841 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543093082 1008668645 /nfs/dbraw/zinc/66/86/45/1008668645.db2.gz MGHNUUDNQBAACB-UHFFFAOYSA-N 2 2 401.599 3.882 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106845 1008679711 /nfs/dbraw/zinc/67/97/11/1008679711.db2.gz DIVBFQHPRJVAQO-TZYHBYERSA-N 2 2 401.595 3.594 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106845 1008679719 /nfs/dbraw/zinc/67/97/19/1008679719.db2.gz DIVBFQHPRJVAQO-TZYHBYERSA-N 2 2 401.595 3.594 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543129209 1008702783 /nfs/dbraw/zinc/70/27/83/1008702783.db2.gz IRWNGTUYUCLOQF-RTBURBONSA-N 2 2 408.428 3.872 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000549161319 1008731793 /nfs/dbraw/zinc/73/17/93/1008731793.db2.gz BGDZFYAGOUCQOK-FYYLOGMGSA-N 2 2 407.558 3.517 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000549161319 1008731802 /nfs/dbraw/zinc/73/18/02/1008731802.db2.gz BGDZFYAGOUCQOK-FYYLOGMGSA-N 2 2 407.558 3.517 20 0 HHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000519530954 1008894592 /nfs/dbraw/zinc/89/45/92/1008894592.db2.gz FEAMXYHCGJSXSM-DNQXCXABSA-N 2 2 409.574 3.511 20 0 HHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000519530954 1008894615 /nfs/dbraw/zinc/89/46/15/1008894615.db2.gz FEAMXYHCGJSXSM-DNQXCXABSA-N 2 2 409.574 3.511 20 0 HHADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000545857937 1008944977 /nfs/dbraw/zinc/94/49/77/1008944977.db2.gz XJZYCYRKAQIABD-DEOSSOPVSA-N 2 2 422.598 3.808 20 0 HHADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545857937 1008944990 /nfs/dbraw/zinc/94/49/90/1008944990.db2.gz XJZYCYRKAQIABD-DEOSSOPVSA-N 2 2 422.598 3.808 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000545913348 1008993553 /nfs/dbraw/zinc/99/35/53/1008993553.db2.gz GXDBGENBDDPKJE-UHFFFAOYSA-N 3 2 401.595 3.570 20 0 HHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000543601054 1009206598 /nfs/dbraw/zinc/20/65/98/1009206598.db2.gz GBOILLMKMWDFAF-LEWJYISDSA-N 2 2 401.576 3.957 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)cc3)c2)cc[nH+]1 ZINC000549617561 1009245239 /nfs/dbraw/zinc/24/52/39/1009245239.db2.gz UZYKXLUMGGLEAF-OAQYLSRUSA-N 2 2 423.948 4.083 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520189167 1009330666 /nfs/dbraw/zinc/33/06/66/1009330666.db2.gz TVHUTWDUMNRFEC-HSZRJFAPSA-N 2 2 411.615 3.935 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)o1 ZINC000520228709 1009353276 /nfs/dbraw/zinc/35/32/76/1009353276.db2.gz GIHUMBDGYLXMRB-JOCHJYFZSA-N 2 2 408.546 3.623 20 0 HHADLP CCc1oc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C(=O)OC ZINC000549799738 1009406621 /nfs/dbraw/zinc/40/66/21/1009406621.db2.gz DOXLOMYHWWHTBD-CALCHBBNSA-N 2 2 400.519 3.528 20 0 HHADLP CCc1oc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C(=O)OC ZINC000549799738 1009406629 /nfs/dbraw/zinc/40/66/29/1009406629.db2.gz DOXLOMYHWWHTBD-CALCHBBNSA-N 2 2 400.519 3.528 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000546619132 1009632189 /nfs/dbraw/zinc/63/21/89/1009632189.db2.gz IJLMDCGNTIESMK-OYRHEFFESA-N 3 2 415.622 3.672 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000546619132 1009632196 /nfs/dbraw/zinc/63/21/96/1009632196.db2.gz IJLMDCGNTIESMK-OYRHEFFESA-N 3 2 415.622 3.672 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035762 1009636694 /nfs/dbraw/zinc/63/66/94/1009636694.db2.gz VWNYSAWAFVAWRO-VQTJNVASSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035762 1009636701 /nfs/dbraw/zinc/63/67/01/1009636701.db2.gz VWNYSAWAFVAWRO-VQTJNVASSA-N 2 2 400.592 3.706 20 0 HHADLP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163340 1009744574 /nfs/dbraw/zinc/74/45/74/1009744574.db2.gz FKHUYASBRCJFRV-KDURUIRLSA-N 2 2 422.013 3.510 20 0 HHADLP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163340 1009744586 /nfs/dbraw/zinc/74/45/86/1009744586.db2.gz FKHUYASBRCJFRV-KDURUIRLSA-N 2 2 422.013 3.510 20 0 HHADLP CC[NH+](CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163340 1009744600 /nfs/dbraw/zinc/74/46/00/1009744600.db2.gz FKHUYASBRCJFRV-KDURUIRLSA-N 2 2 422.013 3.510 20 0 HHADLP CC[NH+](CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163340 1009744613 /nfs/dbraw/zinc/74/46/13/1009744613.db2.gz FKHUYASBRCJFRV-KDURUIRLSA-N 2 2 422.013 3.510 20 0 HHADLP CCCc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1C1CCCC1 ZINC000544237729 1009849892 /nfs/dbraw/zinc/84/98/92/1009849892.db2.gz WXJNSXJVMXEVTO-UHFFFAOYSA-N 2 2 415.626 3.631 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)cc1 ZINC000520827834 1009887883 /nfs/dbraw/zinc/88/78/83/1009887883.db2.gz GJXNYTUJDHBXTG-LJQANCHMSA-N 2 2 401.580 3.862 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000520827993 1009889020 /nfs/dbraw/zinc/88/90/20/1009889020.db2.gz XHFQICDEVCQWEB-AABGKKOBSA-N 2 2 402.583 3.538 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c2cccs2)CC1 ZINC000544361249 1009988964 /nfs/dbraw/zinc/98/89/64/1009988964.db2.gz VQYMRDSKUNUXNO-GGAORHGYSA-N 2 2 410.562 3.950 20 0 HHADLP C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000520955653 1010004305 /nfs/dbraw/zinc/00/43/05/1010004305.db2.gz CLKWZQPHFXXAEO-LJQANCHMSA-N 2 2 424.570 3.583 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544416423 1010033826 /nfs/dbraw/zinc/03/38/26/1010033826.db2.gz ZOMQOKGTIPFWBG-QZTJIDSGSA-N 2 2 406.983 3.791 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(C)noc1C ZINC000544454287 1010077656 /nfs/dbraw/zinc/07/76/56/1010077656.db2.gz GWWFQNWZJHECNK-IBGZPJMESA-N 2 2 402.564 3.520 20 0 HHADLP CC(C)n1cc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000544468234 1010092426 /nfs/dbraw/zinc/09/24/26/1010092426.db2.gz JKKHPBQPCPOSNW-UWJYYQICSA-N 2 2 417.985 3.721 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000544506740 1010128744 /nfs/dbraw/zinc/12/87/44/1010128744.db2.gz JCWXVUNLTKHOLL-GOSISDBHSA-N 2 2 415.541 3.574 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000544506740 1010128752 /nfs/dbraw/zinc/12/87/52/1010128752.db2.gz JCWXVUNLTKHOLL-GOSISDBHSA-N 2 2 415.541 3.574 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)CC3 ZINC000547312670 1010248564 /nfs/dbraw/zinc/24/85/64/1010248564.db2.gz GZHGSUVJYTYJQI-FUHWJXTLSA-N 2 2 405.546 3.681 20 0 HHADLP C[NH+]1CCC(Oc2ccc(CNc3[nH+]cnc4c3cnn4-c3ccccc3)cc2)CC1 ZINC000550968520 1010287148 /nfs/dbraw/zinc/28/71/48/1010287148.db2.gz ZDCZEDLXFZVOOB-UHFFFAOYSA-N 2 2 414.513 3.901 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688580 1010301640 /nfs/dbraw/zinc/30/16/40/1010301640.db2.gz VAVMABKKLQERQR-VZKWCCSDSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688580 1010301648 /nfs/dbraw/zinc/30/16/48/1010301648.db2.gz VAVMABKKLQERQR-VZKWCCSDSA-N 2 2 422.658 3.560 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547654082 1010383279 /nfs/dbraw/zinc/38/32/79/1010383279.db2.gz LFQBEBYJESCRBD-SFTDATJTSA-N 2 2 402.970 3.621 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547654082 1010383283 /nfs/dbraw/zinc/38/32/83/1010383283.db2.gz LFQBEBYJESCRBD-SFTDATJTSA-N 2 2 402.970 3.621 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000521467234 1010388719 /nfs/dbraw/zinc/38/87/19/1010388719.db2.gz GSLIPQZBBKCXCW-NLFFAJNJSA-N 2 2 409.549 3.726 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000521467234 1010388731 /nfs/dbraw/zinc/38/87/31/1010388731.db2.gz GSLIPQZBBKCXCW-NLFFAJNJSA-N 2 2 409.549 3.726 20 0 HHADLP Ic1cccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000551205951 1010439109 /nfs/dbraw/zinc/43/91/09/1010439109.db2.gz RZIRRIKUXADRPN-UHFFFAOYSA-N 2 2 417.294 3.868 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275072 1010489006 /nfs/dbraw/zinc/48/90/06/1010489006.db2.gz OSIPLWFWAXHTMW-OXJNMPFZSA-N 2 2 408.464 3.698 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275072 1010489012 /nfs/dbraw/zinc/48/90/12/1010489012.db2.gz OSIPLWFWAXHTMW-OXJNMPFZSA-N 2 2 408.464 3.698 20 0 HHADLP C[N@H+](CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CCCCC1 ZINC000548060823 1010516715 /nfs/dbraw/zinc/51/67/15/1010516715.db2.gz PTWJWSKPUHLGID-UHFFFAOYSA-N 2 2 408.550 3.916 20 0 HHADLP C[N@@H+](CCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CCCCC1 ZINC000548060823 1010516725 /nfs/dbraw/zinc/51/67/25/1010516725.db2.gz PTWJWSKPUHLGID-UHFFFAOYSA-N 2 2 408.550 3.916 20 0 HHADLP CN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548513227 1010653452 /nfs/dbraw/zinc/65/34/52/1010653452.db2.gz KDUZNBHHWICUFD-KURKYZTESA-N 2 2 420.564 3.942 20 0 HHADLP CN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548513227 1010653457 /nfs/dbraw/zinc/65/34/57/1010653457.db2.gz KDUZNBHHWICUFD-KURKYZTESA-N 2 2 420.564 3.942 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000551556733 1010659077 /nfs/dbraw/zinc/65/90/77/1010659077.db2.gz UXOMWCDZRQJAMW-RHSMWYFYSA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000551556733 1010659085 /nfs/dbraw/zinc/65/90/85/1010659085.db2.gz UXOMWCDZRQJAMW-RHSMWYFYSA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000545205211 1010682830 /nfs/dbraw/zinc/68/28/30/1010682830.db2.gz GCUSKKQGWKXYBH-UHFFFAOYSA-N 2 2 406.530 3.737 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000545205353 1010682855 /nfs/dbraw/zinc/68/28/55/1010682855.db2.gz CFVOOMSRJXGZJX-UHFFFAOYSA-N 2 2 406.530 3.533 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000522282456 1010904623 /nfs/dbraw/zinc/90/46/23/1010904623.db2.gz HCCPJTCFVTVMII-WIYYLYMNSA-N 2 2 415.607 3.614 20 0 HHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000522381015 1010970487 /nfs/dbraw/zinc/97/04/87/1010970487.db2.gz ZIZJZFQKRBMYOM-UHFFFAOYSA-N 2 2 422.504 3.618 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000522399509 1010981786 /nfs/dbraw/zinc/98/17/86/1010981786.db2.gz PQMVVVDVWMRUAD-HSZRJFAPSA-N 2 2 405.546 3.625 20 0 HHADLP Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522554310 1011077063 /nfs/dbraw/zinc/07/70/63/1011077063.db2.gz SETBMFZGVCCCIK-XMMPIXPASA-N 2 2 423.626 3.997 20 0 HHADLP Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522554310 1011077070 /nfs/dbraw/zinc/07/70/70/1011077070.db2.gz SETBMFZGVCCCIK-XMMPIXPASA-N 2 2 423.626 3.997 20 0 HHADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)CC1 ZINC000522647147 1011135007 /nfs/dbraw/zinc/13/50/07/1011135007.db2.gz ZTYLFLRBGAQBDY-UHFFFAOYSA-N 2 2 424.467 3.844 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752939 1011194770 /nfs/dbraw/zinc/19/47/70/1011194770.db2.gz WEJKGQGJPDFLGS-HOJAQTOUSA-N 2 2 405.464 3.905 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752939 1011194773 /nfs/dbraw/zinc/19/47/73/1011194773.db2.gz WEJKGQGJPDFLGS-HOJAQTOUSA-N 2 2 405.464 3.905 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)c(F)c2)c1 ZINC000540908317 1011578771 /nfs/dbraw/zinc/57/87/71/1011578771.db2.gz IXISIGPZFDBOID-NRFANRHFSA-N 2 2 419.497 3.724 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523128709 1011596104 /nfs/dbraw/zinc/59/61/04/1011596104.db2.gz LERYNGUJMPAKGQ-AQNXPRMDSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523128709 1011596114 /nfs/dbraw/zinc/59/61/14/1011596114.db2.gz LERYNGUJMPAKGQ-AQNXPRMDSA-N 2 2 407.558 3.681 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([N@H+](C)CCCO)CC4)cc3)nc12 ZINC000536674148 1011833661 /nfs/dbraw/zinc/83/36/61/1011833661.db2.gz GRQUTYADQSNNDN-UHFFFAOYSA-N 2 2 422.573 3.500 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([N@@H+](C)CCCO)CC4)cc3)nc12 ZINC000536674148 1011833680 /nfs/dbraw/zinc/83/36/80/1011833680.db2.gz GRQUTYADQSNNDN-UHFFFAOYSA-N 2 2 422.573 3.500 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000523413107 1011893068 /nfs/dbraw/zinc/89/30/68/1011893068.db2.gz CCRNJCVHXYFXLH-LJQANCHMSA-N 2 2 406.640 3.792 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000523413107 1011893087 /nfs/dbraw/zinc/89/30/87/1011893087.db2.gz CCRNJCVHXYFXLH-LJQANCHMSA-N 2 2 406.640 3.792 20 0 HHADLP Cc1cn2cc(NC(=O)NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)ccc2[nH+]1 ZINC000523425052 1011912547 /nfs/dbraw/zinc/91/25/47/1011912547.db2.gz AKNCPRNPYURKMF-UHFFFAOYSA-N 2 2 420.561 3.675 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250660 1011931499 /nfs/dbraw/zinc/93/14/99/1011931499.db2.gz CMMPCAFFOGIJDA-VLCRHTCISA-N 2 2 416.610 3.668 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250660 1011931516 /nfs/dbraw/zinc/93/15/16/1011931516.db2.gz CMMPCAFFOGIJDA-VLCRHTCISA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251228 1011933352 /nfs/dbraw/zinc/93/33/52/1011933352.db2.gz KLZJTDXPOQHKJI-UXHICEINSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251228 1011933356 /nfs/dbraw/zinc/93/33/56/1011933356.db2.gz KLZJTDXPOQHKJI-UXHICEINSA-N 2 2 416.591 3.812 20 0 HHADLP C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536856582 1012090555 /nfs/dbraw/zinc/09/05/55/1012090555.db2.gz HXDKNUNASOPGEM-LJQANCHMSA-N 2 2 424.570 3.517 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C[C@@H](C)O1 ZINC000536895546 1012148785 /nfs/dbraw/zinc/14/87/85/1012148785.db2.gz CCGIRCUNMNDPCI-IAGOWNOFSA-N 2 2 403.954 3.983 20 0 HHADLP COc1cccc2c(N3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc(C)[nH+]c12 ZINC000536897618 1012154201 /nfs/dbraw/zinc/15/42/01/1012154201.db2.gz SLNYBCWBXSJEDV-KDURUIRLSA-N 2 2 413.562 3.646 20 0 HHADLP COc1cccc2c(N3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc(C)[nH+]c12 ZINC000536897618 1012154210 /nfs/dbraw/zinc/15/42/10/1012154210.db2.gz SLNYBCWBXSJEDV-KDURUIRLSA-N 2 2 413.562 3.646 20 0 HHADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536936391 1012228037 /nfs/dbraw/zinc/22/80/37/1012228037.db2.gz SBPUPSGHIGQIAJ-IAGOWNOFSA-N 2 2 419.591 3.802 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000541535438 1012319743 /nfs/dbraw/zinc/31/97/43/1012319743.db2.gz XYLUZSVQBVXMRK-KRWDZBQOSA-N 2 2 423.948 3.505 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000541535438 1012319761 /nfs/dbraw/zinc/31/97/61/1012319761.db2.gz XYLUZSVQBVXMRK-KRWDZBQOSA-N 2 2 423.948 3.505 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542393 1012327904 /nfs/dbraw/zinc/32/79/04/1012327904.db2.gz UWFCTFMKOHGVBC-ZJSXRUAMSA-N 2 2 413.631 3.932 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542393 1012327918 /nfs/dbraw/zinc/32/79/18/1012327918.db2.gz UWFCTFMKOHGVBC-ZJSXRUAMSA-N 2 2 413.631 3.932 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000552341840 1012353633 /nfs/dbraw/zinc/35/36/33/1012353633.db2.gz YZDOMUDVKFYZBS-IHBAFOEMSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000552341840 1012353644 /nfs/dbraw/zinc/35/36/44/1012353644.db2.gz YZDOMUDVKFYZBS-IHBAFOEMSA-N 2 2 408.384 3.573 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)C1 ZINC000523734466 1012353999 /nfs/dbraw/zinc/35/39/99/1012353999.db2.gz VTLPCNWROMRKBX-VQIMIIECSA-N 2 2 417.575 3.765 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)C1 ZINC000523734466 1012354017 /nfs/dbraw/zinc/35/40/17/1012354017.db2.gz VTLPCNWROMRKBX-VQIMIIECSA-N 2 2 417.575 3.765 20 0 HHADLP Cc1cnc([C@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C2CC2)s1 ZINC000541602745 1012400517 /nfs/dbraw/zinc/40/05/17/1012400517.db2.gz UMPMIHHYTBBXPO-HXUWFJFHSA-N 2 2 416.616 3.680 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523786229 1012438264 /nfs/dbraw/zinc/43/82/64/1012438264.db2.gz PFMKIXZGNBAMGU-UHFFFAOYSA-N 2 2 407.518 3.915 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523866446 1012563150 /nfs/dbraw/zinc/56/31/50/1012563150.db2.gz MFOICUGYJSBEBN-LJQANCHMSA-N 2 2 407.562 3.575 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523880334 1012579737 /nfs/dbraw/zinc/57/97/37/1012579737.db2.gz YNILLHFFRUASIO-GOSISDBHSA-N 2 2 409.559 3.645 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523880334 1012579755 /nfs/dbraw/zinc/57/97/55/1012579755.db2.gz YNILLHFFRUASIO-GOSISDBHSA-N 2 2 409.559 3.645 20 0 HHADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccc(Cl)cc2)n1 ZINC000541742040 1012598499 /nfs/dbraw/zinc/59/84/99/1012598499.db2.gz VRVBPSFOYMJZQM-DEOSSOPVSA-N 2 2 424.976 3.909 20 0 HHADLP O=C(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Nc1ccc(Br)cc1 ZINC000541762249 1012624302 /nfs/dbraw/zinc/62/43/02/1012624302.db2.gz UMXIULSAMVSFCH-UHFFFAOYSA-N 2 2 405.321 3.815 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235719 1012673437 /nfs/dbraw/zinc/67/34/37/1012673437.db2.gz AQWVMFTXMFTKOQ-ROUUACIJSA-N 2 2 422.643 3.682 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235719 1012673444 /nfs/dbraw/zinc/67/34/44/1012673444.db2.gz AQWVMFTXMFTKOQ-ROUUACIJSA-N 2 2 422.643 3.682 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807716 1012812883 /nfs/dbraw/zinc/81/28/83/1012812883.db2.gz RCYNNORMAGMILB-INIZCTEOSA-N 2 2 423.355 3.532 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807716 1012812906 /nfs/dbraw/zinc/81/29/06/1012812906.db2.gz RCYNNORMAGMILB-INIZCTEOSA-N 2 2 423.355 3.532 20 0 HHADLP O=C1C[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000542101688 1013033199 /nfs/dbraw/zinc/03/31/99/1013033199.db2.gz ANMAYULZJVZJMN-HSZRJFAPSA-N 2 2 416.525 3.861 20 0 HHADLP C[C@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001687424126 1071969551 /nfs/dbraw/zinc/96/95/51/1071969551.db2.gz NWTCSOBPMLLACD-ZJSXRUAMSA-N 2 2 417.557 3.788 20 0 HHADLP C[C@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001687424126 1071969557 /nfs/dbraw/zinc/96/95/57/1071969557.db2.gz NWTCSOBPMLLACD-ZJSXRUAMSA-N 2 2 417.557 3.788 20 0 HHADLP C[C@]1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487827377 1072074317 /nfs/dbraw/zinc/07/43/17/1072074317.db2.gz ZLRYFAQPXNJTBD-XMMPIXPASA-N 2 2 403.530 3.726 20 0 HHADLP C[C@]1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000487827377 1072074326 /nfs/dbraw/zinc/07/43/26/1072074326.db2.gz ZLRYFAQPXNJTBD-XMMPIXPASA-N 2 2 403.530 3.726 20 0 HHADLP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1)CC1CC1 ZINC000536738391 1072193440 /nfs/dbraw/zinc/19/34/40/1072193440.db2.gz RRYDNQCOFYMFQX-NRFANRHFSA-N 2 2 405.533 3.904 20 0 HHADLP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1)CC1CC1 ZINC000536738391 1072193446 /nfs/dbraw/zinc/19/34/46/1072193446.db2.gz RRYDNQCOFYMFQX-NRFANRHFSA-N 2 2 405.533 3.904 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857739 1072480763 /nfs/dbraw/zinc/48/07/63/1072480763.db2.gz WPNZLZUWEGLSRP-OAQYLSRUSA-N 2 2 403.530 3.584 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857739 1072480770 /nfs/dbraw/zinc/48/07/70/1072480770.db2.gz WPNZLZUWEGLSRP-OAQYLSRUSA-N 2 2 403.530 3.584 20 0 HHADLP CC(C)[NH+]1CC(Nc2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168313198 1072493367 /nfs/dbraw/zinc/49/33/67/1072493367.db2.gz MIVZSVXKUBBNBK-UHFFFAOYSA-N 2 2 410.537 3.747 20 0 HHADLP CC1CC[NH+](CCc2cccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000537672582 1072543931 /nfs/dbraw/zinc/54/39/31/1072543931.db2.gz ZDZSRZDQBMMMOI-UHFFFAOYSA-N 2 2 409.578 3.858 20 0 HHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588709531 1073156107 /nfs/dbraw/zinc/15/61/07/1073156107.db2.gz CQLOWXLWYDIHHS-HDICACEKSA-N 2 2 400.592 4.208 20 0 HHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588709531 1073156108 /nfs/dbraw/zinc/15/61/08/1073156108.db2.gz CQLOWXLWYDIHHS-HDICACEKSA-N 2 2 400.592 4.208 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555197734 1073250767 /nfs/dbraw/zinc/25/07/67/1073250767.db2.gz FGCCZQBLDWRNCJ-IAGOWNOFSA-N 2 2 406.537 3.554 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555197734 1073250770 /nfs/dbraw/zinc/25/07/70/1073250770.db2.gz FGCCZQBLDWRNCJ-IAGOWNOFSA-N 2 2 406.537 3.554 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501249 1073565056 /nfs/dbraw/zinc/56/50/56/1073565056.db2.gz JDGIXDAHEXLJNM-ZWCUEREDSA-N 2 2 410.537 3.900 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501249 1073565066 /nfs/dbraw/zinc/56/50/66/1073565066.db2.gz JDGIXDAHEXLJNM-ZWCUEREDSA-N 2 2 410.537 3.900 20 0 HHADLP COc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCCC2)cc1 ZINC000590149115 1073591929 /nfs/dbraw/zinc/59/19/29/1073591929.db2.gz BUJHVISYUFSGOD-PZJWPPBQSA-N 2 2 411.550 3.535 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590848151 1074016322 /nfs/dbraw/zinc/01/63/22/1074016322.db2.gz RTCNPHJTUXVJID-FQEVSTJZSA-N 2 2 401.942 3.548 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590852506 1074017594 /nfs/dbraw/zinc/01/75/94/1074017594.db2.gz BBGUUCXIRCXCTD-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852551 1074017960 /nfs/dbraw/zinc/01/79/60/1074017960.db2.gz GFMJLHPWENDKFE-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852551 1074017969 /nfs/dbraw/zinc/01/79/69/1074017969.db2.gz GFMJLHPWENDKFE-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP CC(C)[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000591202693 1074169108 /nfs/dbraw/zinc/16/91/08/1074169108.db2.gz NBIXBXJOLLIYDQ-OAQYLSRUSA-N 2 2 408.550 3.772 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000591402136 1074295672 /nfs/dbraw/zinc/29/56/72/1074295672.db2.gz FIOFHKOWNMLWJV-UHFFFAOYSA-N 2 2 419.529 3.748 20 0 HHADLP CC(C)c1ccc(C(C)(C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000591581578 1074425508 /nfs/dbraw/zinc/42/55/08/1074425508.db2.gz SKYAFQKFWXYAGA-UHFFFAOYSA-N 2 2 400.611 3.903 20 0 HHADLP C/C=C/c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000574264431 1075192738 /nfs/dbraw/zinc/19/27/38/1075192738.db2.gz ROVQAJMJFCNBPU-GNAXCBTBSA-N 2 2 411.477 3.583 20 0 HHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474328 1075618236 /nfs/dbraw/zinc/61/82/36/1075618236.db2.gz NIDKIBVUIVWSSM-JOCHJYFZSA-N 2 2 406.574 3.979 20 0 HHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474328 1075618237 /nfs/dbraw/zinc/61/82/37/1075618237.db2.gz NIDKIBVUIVWSSM-JOCHJYFZSA-N 2 2 406.574 3.979 20 0 HHADLP CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473577 1075618741 /nfs/dbraw/zinc/61/87/41/1075618741.db2.gz GRDAYWCLPBCODA-OAQYLSRUSA-N 2 2 411.521 3.859 20 0 HHADLP CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473577 1075618743 /nfs/dbraw/zinc/61/87/43/1075618743.db2.gz GRDAYWCLPBCODA-OAQYLSRUSA-N 2 2 411.521 3.859 20 0 HHADLP CC(C)OCc1c2ccccc2oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478980 1075620972 /nfs/dbraw/zinc/62/09/72/1075620972.db2.gz QIVZIBMLFBDXPJ-IBGZPJMESA-N 2 2 413.562 3.598 20 0 HHADLP CC(C)OCc1c2ccccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478980 1075620974 /nfs/dbraw/zinc/62/09/74/1075620974.db2.gz QIVZIBMLFBDXPJ-IBGZPJMESA-N 2 2 413.562 3.598 20 0 HHADLP CN(C(=O)CCn1c2ccccc2c2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479912 1075621422 /nfs/dbraw/zinc/62/14/22/1075621422.db2.gz YGYKJLFVWLEOCV-NRFANRHFSA-N 2 2 418.585 3.812 20 0 HHADLP CN(C(=O)CCn1c2ccccc2c2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479912 1075621426 /nfs/dbraw/zinc/62/14/26/1075621426.db2.gz YGYKJLFVWLEOCV-NRFANRHFSA-N 2 2 418.585 3.812 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195116 1075710920 /nfs/dbraw/zinc/71/09/20/1075710920.db2.gz KZIHGXYYHSNNKJ-DZGCQCFKSA-N 2 2 416.418 3.759 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195116 1075710928 /nfs/dbraw/zinc/71/09/28/1075710928.db2.gz KZIHGXYYHSNNKJ-DZGCQCFKSA-N 2 2 416.418 3.759 20 0 HHADLP CCOc1c(Br)cc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000038810572 558665258 /nfs/dbraw/zinc/66/52/58/558665258.db2.gz HKKYYHWMZIZSPO-UHFFFAOYSA-N 2 2 417.145 3.987 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628444 719109983 /nfs/dbraw/zinc/10/99/83/719109983.db2.gz MVOXFYPACPWBOG-ZJSXRUAMSA-N 3 2 406.574 3.655 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628444 719109986 /nfs/dbraw/zinc/10/99/86/719109986.db2.gz MVOXFYPACPWBOG-ZJSXRUAMSA-N 3 2 406.574 3.655 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1NCC1CC1 ZINC001164838275 720655881 /nfs/dbraw/zinc/65/58/81/720655881.db2.gz GZKDWITYQUTJQR-JOCHJYFZSA-N 2 2 421.589 3.867 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1NCC1CC1 ZINC001164838275 720655895 /nfs/dbraw/zinc/65/58/95/720655895.db2.gz GZKDWITYQUTJQR-JOCHJYFZSA-N 2 2 421.589 3.867 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758205 720888524 /nfs/dbraw/zinc/88/85/24/720888524.db2.gz XRJVXKTZNGJZBD-RDGATRHJSA-N 2 2 422.573 3.549 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758205 720888526 /nfs/dbraw/zinc/88/85/26/720888526.db2.gz XRJVXKTZNGJZBD-RDGATRHJSA-N 2 2 422.573 3.549 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c([nH+]3)CCCC4)C2)C1 ZINC001164779996 721346641 /nfs/dbraw/zinc/34/66/41/721346641.db2.gz YCVZYKPIUWVNGO-DEOSSOPVSA-N 2 2 410.562 3.684 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c([nH+]3)CCCC4)C2)C1 ZINC001164779996 721346645 /nfs/dbraw/zinc/34/66/45/721346645.db2.gz YCVZYKPIUWVNGO-DEOSSOPVSA-N 2 2 410.562 3.684 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164788063 721467270 /nfs/dbraw/zinc/46/72/70/721467270.db2.gz HYJLCEMSHSGRKD-LJQANCHMSA-N 2 2 405.608 3.537 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164788063 721467274 /nfs/dbraw/zinc/46/72/74/721467274.db2.gz HYJLCEMSHSGRKD-LJQANCHMSA-N 2 2 405.608 3.537 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795113 721498408 /nfs/dbraw/zinc/49/84/08/721498408.db2.gz DMONCYWKLFSKER-PLNGDYQASA-N 2 2 420.557 3.852 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795113 721498411 /nfs/dbraw/zinc/49/84/11/721498411.db2.gz DMONCYWKLFSKER-PLNGDYQASA-N 2 2 420.557 3.852 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908763 721706162 /nfs/dbraw/zinc/70/61/62/721706162.db2.gz ZAZZKWKVSWBZJZ-NRFANRHFSA-N 2 2 412.488 3.707 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164908763 721706169 /nfs/dbraw/zinc/70/61/69/721706169.db2.gz ZAZZKWKVSWBZJZ-NRFANRHFSA-N 2 2 412.488 3.707 20 0 HHADLP CCCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908113 721713997 /nfs/dbraw/zinc/71/39/97/721713997.db2.gz VWMUCRGGVJJKKK-NRFANRHFSA-N 2 2 401.505 3.870 20 0 HHADLP CCCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908113 721714004 /nfs/dbraw/zinc/71/40/04/721714004.db2.gz VWMUCRGGVJJKKK-NRFANRHFSA-N 2 2 401.505 3.870 20 0 HHADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c12 ZINC001164950534 721980430 /nfs/dbraw/zinc/98/04/30/721980430.db2.gz VUUBVIWUWMEJNZ-UHFFFAOYSA-N 2 2 400.526 3.514 20 0 HHADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c12 ZINC001164950534 721980431 /nfs/dbraw/zinc/98/04/31/721980431.db2.gz VUUBVIWUWMEJNZ-UHFFFAOYSA-N 2 2 400.526 3.514 20 0 HHADLP Brc1ccc2[nH+]ccc(NC[C@@]3([NH+]4CCOCC4)CCSC3)c2c1 ZINC000301133773 970765122 /nfs/dbraw/zinc/76/51/22/970765122.db2.gz VYOUJBJOPBCTRI-SFHVURJKSA-N 2 2 408.365 3.617 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221007 970816228 /nfs/dbraw/zinc/81/62/28/970816228.db2.gz AFHNHIILUCUJAV-ZRCGQRJVSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221007 970816237 /nfs/dbraw/zinc/81/62/37/970816237.db2.gz AFHNHIILUCUJAV-ZRCGQRJVSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221007 970816254 /nfs/dbraw/zinc/81/62/54/970816254.db2.gz AFHNHIILUCUJAV-ZRCGQRJVSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221007 970816263 /nfs/dbraw/zinc/81/62/63/970816263.db2.gz AFHNHIILUCUJAV-ZRCGQRJVSA-N 2 2 423.605 3.775 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301247953 970831652 /nfs/dbraw/zinc/83/16/52/970831652.db2.gz OSDRMQJJTJTGTB-HXUWFJFHSA-N 2 2 409.578 3.529 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000301247953 970831674 /nfs/dbraw/zinc/83/16/74/970831674.db2.gz OSDRMQJJTJTGTB-HXUWFJFHSA-N 2 2 409.578 3.529 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542131739 1013063861 /nfs/dbraw/zinc/06/38/61/1013063861.db2.gz SULQZTUOJSDRDQ-UHFFFAOYSA-N 2 2 400.592 3.756 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000524254116 1013064666 /nfs/dbraw/zinc/06/46/66/1013064666.db2.gz OIJZGFNOOQJYKE-PMACEKPBSA-N 2 2 416.610 3.882 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302902838 971382598 /nfs/dbraw/zinc/38/25/98/971382598.db2.gz RCQRSYIMCUPLAG-SFTDATJTSA-N 2 2 409.603 3.521 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302902838 971382602 /nfs/dbraw/zinc/38/26/02/971382602.db2.gz RCQRSYIMCUPLAG-SFTDATJTSA-N 2 2 409.603 3.521 20 0 HHADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303194542 971553359 /nfs/dbraw/zinc/55/33/59/971553359.db2.gz WADFONPJJGVQBR-HXUWFJFHSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000303194542 971553368 /nfs/dbraw/zinc/55/33/68/971553368.db2.gz WADFONPJJGVQBR-HXUWFJFHSA-N 2 2 406.452 3.501 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198630 971555402 /nfs/dbraw/zinc/55/54/02/971555402.db2.gz NUMJPOOFOLIVNY-QZTJIDSGSA-N 2 2 410.389 3.772 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000303404662 971684724 /nfs/dbraw/zinc/68/47/24/971684724.db2.gz SJQQSEWOZQLGMY-UHFFFAOYSA-N 2 2 421.476 3.550 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000303588777 971881538 /nfs/dbraw/zinc/88/15/38/971881538.db2.gz RIWSLSCFXLHBQF-IBGZPJMESA-N 2 2 416.403 3.666 20 0 HHADLP CSc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000542178688 1013117315 /nfs/dbraw/zinc/11/73/15/1013117315.db2.gz FGXLJUVULUWGLD-SFHVURJKSA-N 2 2 404.624 3.719 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542179537 1013119248 /nfs/dbraw/zinc/11/92/48/1013119248.db2.gz NJJOPMKYVRJERQ-VSKRKVRLSA-N 2 2 419.585 3.779 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542179537 1013119255 /nfs/dbraw/zinc/11/92/55/1013119255.db2.gz NJJOPMKYVRJERQ-VSKRKVRLSA-N 2 2 419.585 3.779 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732801 971985330 /nfs/dbraw/zinc/98/53/30/971985330.db2.gz FHDCSEAWUBLGMT-RBBKRZOGSA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732801 971985333 /nfs/dbraw/zinc/98/53/33/971985333.db2.gz FHDCSEAWUBLGMT-RBBKRZOGSA-N 2 2 407.558 3.644 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCC1 ZINC000553177959 1013137690 /nfs/dbraw/zinc/13/76/90/1013137690.db2.gz WLNNSNNEPLSWRY-VXKWHMMOSA-N 2 2 418.541 3.894 20 0 HHADLP C[N@H+](CCN1CC[NH+](CCOc2ccc(F)cc2Cl)CC1)Cc1ccccc1 ZINC000537678193 1013236163 /nfs/dbraw/zinc/23/61/63/1013236163.db2.gz NOXYRJRHWCEMJB-UHFFFAOYSA-N 2 2 405.945 3.608 20 0 HHADLP C[N@@H+](CCN1CC[NH+](CCOc2ccc(F)cc2Cl)CC1)Cc1ccccc1 ZINC000537678193 1013236168 /nfs/dbraw/zinc/23/61/68/1013236168.db2.gz NOXYRJRHWCEMJB-UHFFFAOYSA-N 2 2 405.945 3.608 20 0 HHADLP CCC(=O)Nc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000537747626 1013310661 /nfs/dbraw/zinc/31/06/61/1013310661.db2.gz DUPKTFPLJOHBTP-UHFFFAOYSA-N 2 2 400.954 3.730 20 0 HHADLP Cc1cc(C)cc([C@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)c1 ZINC000542434606 1013385647 /nfs/dbraw/zinc/38/56/47/1013385647.db2.gz RGDHHRQYVOXSRA-QFIPXVFZSA-N 2 2 412.622 3.753 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000542481498 1013429755 /nfs/dbraw/zinc/42/97/55/1013429755.db2.gz ZATSEEHHDCZHLH-HSZRJFAPSA-N 2 2 408.521 3.737 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508330 1013452179 /nfs/dbraw/zinc/45/21/79/1013452179.db2.gz UKPKCDRUDYHKPF-IRLDBZIGSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508330 1013452187 /nfs/dbraw/zinc/45/21/87/1013452187.db2.gz UKPKCDRUDYHKPF-IRLDBZIGSA-N 2 2 424.570 3.617 20 0 HHADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507678 964289121 /nfs/dbraw/zinc/28/91/21/964289121.db2.gz YUAHAQQNKYWALC-OAQYLSRUSA-N 2 2 421.585 3.801 20 0 HHADLP O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000050273819 964299135 /nfs/dbraw/zinc/29/91/35/964299135.db2.gz RHAMKFUEZBUESG-QHCPKHFHSA-N 2 2 413.949 3.852 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000050802130 964401720 /nfs/dbraw/zinc/40/17/20/964401720.db2.gz SJPCTTWGFYVMDY-UHFFFAOYSA-N 2 2 416.418 3.760 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(COc4ccccc4)cc3)CC2)CC1 ZINC000050802353 964401931 /nfs/dbraw/zinc/40/19/31/964401931.db2.gz ATGXVCFGVXAVAZ-UHFFFAOYSA-N 2 2 407.558 3.554 20 0 HHADLP Brc1ccc(Cc2noc([C@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)n2)cc1 ZINC000553608331 1013494884 /nfs/dbraw/zinc/49/48/84/1013494884.db2.gz UNBHAIJAGQJMBG-QGZVFWFLSA-N 2 2 416.323 3.847 20 0 HHADLP Brc1ccc(Cc2noc([C@H]3CCC[N@H+]3CCCn3cc[nH+]c3)n2)cc1 ZINC000553608331 1013494889 /nfs/dbraw/zinc/49/48/89/1013494889.db2.gz UNBHAIJAGQJMBG-QGZVFWFLSA-N 2 2 416.323 3.847 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000542556370 1013499352 /nfs/dbraw/zinc/49/93/52/1013499352.db2.gz DLOIHGAOUOUNLT-KRWDZBQOSA-N 2 2 407.967 3.913 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000542618621 1013554543 /nfs/dbraw/zinc/55/45/43/1013554543.db2.gz LVSQITUZFVCUCX-SPEDKVCISA-N 2 2 407.562 3.875 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000054101878 965384372 /nfs/dbraw/zinc/38/43/72/965384372.db2.gz BEBQXUHDNONMBO-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000057379707 965424062 /nfs/dbraw/zinc/42/40/62/965424062.db2.gz CMSYRTMUNKZUQN-UHFFFAOYSA-N 2 2 417.557 3.780 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)co2)cc1 ZINC000538043799 1013616321 /nfs/dbraw/zinc/61/63/21/1013616321.db2.gz HTKPWVFEWLQWCY-WOJBJXKFSA-N 2 2 413.562 3.740 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000060377463 966121171 /nfs/dbraw/zinc/12/11/71/966121171.db2.gz HTZRTXGECMAYDQ-UHFFFAOYSA-N 2 2 410.949 3.921 20 0 HHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000060377463 966121174 /nfs/dbraw/zinc/12/11/74/966121174.db2.gz HTZRTXGECMAYDQ-UHFFFAOYSA-N 2 2 410.949 3.921 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054549 1013629796 /nfs/dbraw/zinc/62/97/96/1013629796.db2.gz XDRAZLVKTSALFD-LEWJYISDSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054549 1013629801 /nfs/dbraw/zinc/62/98/01/1013629801.db2.gz XDRAZLVKTSALFD-LEWJYISDSA-N 2 2 422.976 3.788 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000056629160 966401367 /nfs/dbraw/zinc/40/13/67/966401367.db2.gz JBIBRAIFEAHTSI-PMACEKPBSA-N 2 2 416.610 3.882 20 0 HHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033424360 966406539 /nfs/dbraw/zinc/40/65/39/966406539.db2.gz BGZKXLXTOYBVFH-GHXNOFRVSA-N 2 2 403.570 3.756 20 0 HHADLP Cc1ccccc1C1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000542748598 1013658244 /nfs/dbraw/zinc/65/82/44/1013658244.db2.gz PAOGCYNDLQPZJX-UHFFFAOYSA-N 2 2 412.622 3.834 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000063799358 966961848 /nfs/dbraw/zinc/96/18/48/966961848.db2.gz QWUINMZNDBOGFM-UHFFFAOYSA-N 2 2 421.589 3.926 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)c2C1 ZINC000063804273 966963771 /nfs/dbraw/zinc/96/37/71/966963771.db2.gz RBEGJABBTZVPMH-QHCPKHFHSA-N 2 2 408.590 3.853 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)c2C1 ZINC000063804273 966963775 /nfs/dbraw/zinc/96/37/75/966963775.db2.gz RBEGJABBTZVPMH-QHCPKHFHSA-N 2 2 408.590 3.853 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(C[NH+](C)C)c3)n2)C1 ZINC000043546311 966995262 /nfs/dbraw/zinc/99/52/62/966995262.db2.gz QURPZEWMXRZQGS-INIZCTEOSA-N 2 2 401.580 3.758 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(C[NH+](C)C)c3)n2)C1 ZINC000043546311 966995266 /nfs/dbraw/zinc/99/52/66/966995266.db2.gz QURPZEWMXRZQGS-INIZCTEOSA-N 2 2 401.580 3.758 20 0 HHADLP COc1c(Br)cc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000044353152 967201113 /nfs/dbraw/zinc/20/11/13/967201113.db2.gz VYNIEKGXPHQTFE-UHFFFAOYSA-N 2 2 417.145 3.987 20 0 HHADLP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1Br ZINC000064508676 967218401 /nfs/dbraw/zinc/21/84/01/967218401.db2.gz JXCWYXDAHFAJJV-INIZCTEOSA-N 2 2 422.411 3.965 20 0 HHADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1Br ZINC000064508676 967218411 /nfs/dbraw/zinc/21/84/11/967218411.db2.gz JXCWYXDAHFAJJV-INIZCTEOSA-N 2 2 422.411 3.965 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064643989 967257773 /nfs/dbraw/zinc/25/77/73/967257773.db2.gz CSDPNVHGWFUKAW-IBGZPJMESA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064643989 967257783 /nfs/dbraw/zinc/25/77/83/967257783.db2.gz CSDPNVHGWFUKAW-IBGZPJMESA-N 2 2 423.586 3.704 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000065304118 967431920 /nfs/dbraw/zinc/43/19/20/967431920.db2.gz WVKJXKTWSBOLBU-UHFFFAOYSA-N 2 2 410.562 3.938 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000065388446 967449226 /nfs/dbraw/zinc/44/92/26/967449226.db2.gz HRKJXYLRGKUDCR-FQEVSTJZSA-N 2 2 416.953 3.997 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000045758043 967548355 /nfs/dbraw/zinc/54/83/55/967548355.db2.gz PRGPUXGTJKWBIQ-UHFFFAOYSA-N 2 2 412.603 3.548 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000045757819 967548385 /nfs/dbraw/zinc/54/83/85/967548385.db2.gz VVYHFNMLYPTLPB-UHFFFAOYSA-N 2 2 412.603 3.548 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000553981105 1013735489 /nfs/dbraw/zinc/73/54/89/1013735489.db2.gz BTGBPLUFMYZMJR-PKTZIBPZSA-N 2 2 417.578 3.678 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000553981105 1013735499 /nfs/dbraw/zinc/73/54/99/1013735499.db2.gz BTGBPLUFMYZMJR-PKTZIBPZSA-N 2 2 417.578 3.678 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211988 1013765226 /nfs/dbraw/zinc/76/52/26/1013765226.db2.gz PMAPUNSQBWIDOG-RBUKOAKNSA-N 2 2 422.552 3.960 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000047039648 968037570 /nfs/dbraw/zinc/03/75/70/968037570.db2.gz LIOLTCFBYLJGTE-OALUTQOASA-N 2 2 402.608 3.750 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000047295655 968129351 /nfs/dbraw/zinc/12/93/51/968129351.db2.gz IVVMXARHRBFYOK-QFIPXVFZSA-N 2 2 404.514 3.507 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949385 968375188 /nfs/dbraw/zinc/37/51/88/968375188.db2.gz ZVTPBMBWBAXTJL-QHCPKHFHSA-N 2 2 417.557 3.610 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949032 968375475 /nfs/dbraw/zinc/37/54/75/968375475.db2.gz BUIZZDXQQJMXSU-QHCPKHFHSA-N 2 2 403.530 3.568 20 0 HHADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264473 1013805961 /nfs/dbraw/zinc/80/59/61/1013805961.db2.gz WOTQPTTUFUFTEJ-VXKWHMMOSA-N 2 2 408.590 3.728 20 0 HHADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264473 1013805968 /nfs/dbraw/zinc/80/59/68/1013805968.db2.gz WOTQPTTUFUFTEJ-VXKWHMMOSA-N 2 2 408.590 3.728 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000048507022 968581354 /nfs/dbraw/zinc/58/13/54/968581354.db2.gz VPFIRGROONFNFY-UHFFFAOYSA-N 2 2 417.557 3.569 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065917482 968712672 /nfs/dbraw/zinc/71/26/72/968712672.db2.gz GYHQXHBNYBCZMB-UHFFFAOYSA-N 2 2 411.506 3.555 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037505 968777781 /nfs/dbraw/zinc/77/77/81/968777781.db2.gz OQPUJYQIQAJHRX-UHFFFAOYSA-N 2 2 413.610 3.916 20 0 HHADLP C[C@@H]1C[C@@H]1[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000538320643 1013847354 /nfs/dbraw/zinc/84/73/54/1013847354.db2.gz MHXUZBCFZYRYAL-DHJUGAMNSA-N 2 2 412.965 3.761 20 0 HHADLP C[C@@H]1C[C@H]1[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000538320647 1013847449 /nfs/dbraw/zinc/84/74/49/1013847449.db2.gz MHXUZBCFZYRYAL-LLBVYWAGSA-N 2 2 412.965 3.761 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321844 1013848770 /nfs/dbraw/zinc/84/87/70/1013848770.db2.gz CJUYJBQBXJSSBQ-PKTZIBPZSA-N 2 2 415.626 3.862 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321844 1013848783 /nfs/dbraw/zinc/84/87/83/1013848783.db2.gz CJUYJBQBXJSSBQ-PKTZIBPZSA-N 2 2 415.626 3.862 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000538322291 1013848927 /nfs/dbraw/zinc/84/89/27/1013848927.db2.gz QNKUZVJLJOQYPQ-HSZRJFAPSA-N 2 2 409.574 3.803 20 0 HHADLP Cc1cc([C@H]([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)C2CC2)ccc1F ZINC000538323175 1013849737 /nfs/dbraw/zinc/84/97/37/1013849737.db2.gz IYUKKZCCJDQMCT-JOCHJYFZSA-N 2 2 401.551 3.581 20 0 HHADLP CCOc1ccc([C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000538323923 1013850299 /nfs/dbraw/zinc/85/02/99/1013850299.db2.gz VQHRKACBANTNSM-XMMPIXPASA-N 2 2 417.557 3.506 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000097604725 969178578 /nfs/dbraw/zinc/17/85/78/969178578.db2.gz LRQPGSQXLAXVJX-GXFFZTMASA-N 2 2 406.162 3.793 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000097604725 969178580 /nfs/dbraw/zinc/17/85/80/969178580.db2.gz LRQPGSQXLAXVJX-GXFFZTMASA-N 2 2 406.162 3.793 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2(C[NH+]3C[C@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272967 1013887200 /nfs/dbraw/zinc/88/72/00/1013887200.db2.gz ZEDGYGSQQFHTQD-DVJXIFHOSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2(C[NH+]3C[C@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272967 1013887211 /nfs/dbraw/zinc/88/72/11/1013887211.db2.gz ZEDGYGSQQFHTQD-DVJXIFHOSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@@H+]3C[C@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272967 1013887219 /nfs/dbraw/zinc/88/72/19/1013887219.db2.gz ZEDGYGSQQFHTQD-DVJXIFHOSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@H+]3C[C@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272967 1013887222 /nfs/dbraw/zinc/88/72/22/1013887222.db2.gz ZEDGYGSQQFHTQD-DVJXIFHOSA-N 2 2 406.574 3.959 20 0 HHADLP Brc1ccc(-c2c[nH]c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000236621248 970147048 /nfs/dbraw/zinc/14/70/48/970147048.db2.gz YPQRUJNEGGVXNU-UHFFFAOYSA-N 2 2 412.335 3.993 20 0 HHADLP Brc1cccc(-c2c[nH]c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000236660554 970152158 /nfs/dbraw/zinc/15/21/58/970152158.db2.gz WRYLUIJQXHJFSK-UHFFFAOYSA-N 2 2 412.335 3.993 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236716979 970161272 /nfs/dbraw/zinc/16/12/72/970161272.db2.gz XGDKEMYZFKXVRL-QFIPXVFZSA-N 2 2 424.614 3.842 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000554461331 1013957499 /nfs/dbraw/zinc/95/74/99/1013957499.db2.gz ABVMNJYWBVUJAB-IPELMVKDSA-N 2 2 406.958 3.964 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000237090598 970221086 /nfs/dbraw/zinc/22/10/86/970221086.db2.gz VUJGWSKTMGQGNZ-OAQYLSRUSA-N 2 2 410.587 3.860 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000237090598 970221090 /nfs/dbraw/zinc/22/10/90/970221090.db2.gz VUJGWSKTMGQGNZ-OAQYLSRUSA-N 2 2 410.587 3.860 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000237141163 970230191 /nfs/dbraw/zinc/23/01/91/970230191.db2.gz JJYQAGINKIQIQT-UHFFFAOYSA-N 2 2 402.583 3.711 20 0 HHADLP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1)C1CCOCC1 ZINC000237206309 970241531 /nfs/dbraw/zinc/24/15/31/970241531.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 3 2 420.557 3.652 20 0 HHADLP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1)C1CCOCC1 ZINC000237206309 970241536 /nfs/dbraw/zinc/24/15/36/970241536.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 3 2 420.557 3.652 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237401127 970278416 /nfs/dbraw/zinc/27/84/16/970278416.db2.gz BJTLDONDQTYLNO-AVRDEDQJSA-N 2 2 411.546 3.848 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000148675905 970369841 /nfs/dbraw/zinc/36/98/41/970369841.db2.gz ITSYDJXMAFBGFP-HXUWFJFHSA-N 2 2 411.481 3.549 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000149035787 970379999 /nfs/dbraw/zinc/37/99/99/970379999.db2.gz AUHZKVPWLAZPOC-GOSISDBHSA-N 2 2 418.632 3.549 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000149035787 970380010 /nfs/dbraw/zinc/38/00/10/970380010.db2.gz AUHZKVPWLAZPOC-GOSISDBHSA-N 2 2 418.632 3.549 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000253615672 970568334 /nfs/dbraw/zinc/56/83/34/970568334.db2.gz ADCWVGQAVMFAJU-UHFFFAOYSA-N 2 2 422.598 3.753 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000303973967 972560095 /nfs/dbraw/zinc/56/00/95/972560095.db2.gz UUZYSMZDNQJREI-VQTJNVASSA-N 2 2 423.523 3.875 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410275313 973794762 /nfs/dbraw/zinc/79/47/62/973794762.db2.gz YEPYMFXENCJYKM-NRFANRHFSA-N 2 2 424.614 3.788 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000410374695 973972374 /nfs/dbraw/zinc/97/23/74/973972374.db2.gz UUAWYIJGNJTZQI-UHFFFAOYSA-N 2 2 409.578 3.912 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000410374695 973972378 /nfs/dbraw/zinc/97/23/78/973972378.db2.gz UUAWYIJGNJTZQI-UHFFFAOYSA-N 2 2 409.578 3.912 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000426053986 974176420 /nfs/dbraw/zinc/17/64/20/974176420.db2.gz FFEFUXVRLUYAOF-GOTSBHOMSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426822081 974687610 /nfs/dbraw/zinc/68/76/10/974687610.db2.gz ZOXYYRSQIIYZHW-KSZLIROESA-N 2 2 407.986 3.878 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426822081 974687612 /nfs/dbraw/zinc/68/76/12/974687612.db2.gz ZOXYYRSQIIYZHW-KSZLIROESA-N 2 2 407.986 3.878 20 0 HHADLP CCc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427852961 975322238 /nfs/dbraw/zinc/32/22/38/975322238.db2.gz GKUUWIUXQXISGN-REWPJTCUSA-N 2 2 409.555 3.543 20 0 HHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000427887974 975333720 /nfs/dbraw/zinc/33/37/20/975333720.db2.gz CEUBCPUANUZPBU-PXNSSMCTSA-N 2 2 416.591 3.550 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890190 975334704 /nfs/dbraw/zinc/33/47/04/975334704.db2.gz ZAKOBYIEXFVSGG-CVDCTZTESA-N 2 2 415.603 3.642 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890190 975334707 /nfs/dbraw/zinc/33/47/07/975334707.db2.gz ZAKOBYIEXFVSGG-CVDCTZTESA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428346763 975659115 /nfs/dbraw/zinc/65/91/15/975659115.db2.gz IEEDUNZGLFAYLI-YKSBVNFPSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428346763 975659135 /nfs/dbraw/zinc/65/91/35/975659135.db2.gz IEEDUNZGLFAYLI-YKSBVNFPSA-N 2 2 417.557 3.784 20 0 HHADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000428405445 975726222 /nfs/dbraw/zinc/72/62/22/975726222.db2.gz WXVBOWLQXVYCNW-FQEVSTJZSA-N 2 2 424.564 3.879 20 0 HHADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539870 975841492 /nfs/dbraw/zinc/84/14/92/975841492.db2.gz QQSZPNFZJBBYFF-NZQKXSOJSA-N 2 2 422.573 3.699 20 0 HHADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539870 975841510 /nfs/dbraw/zinc/84/15/10/975841510.db2.gz QQSZPNFZJBBYFF-NZQKXSOJSA-N 2 2 422.573 3.699 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428654906 975954733 /nfs/dbraw/zinc/95/47/33/975954733.db2.gz WIMULHXXYXIBPJ-HXUWFJFHSA-N 2 2 420.561 3.506 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428654906 975954746 /nfs/dbraw/zinc/95/47/46/975954746.db2.gz WIMULHXXYXIBPJ-HXUWFJFHSA-N 2 2 420.561 3.506 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428752597 976026761 /nfs/dbraw/zinc/02/67/61/976026761.db2.gz OKYNIFLEKMHFIS-IBGZPJMESA-N 2 2 409.578 3.793 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428752597 976026770 /nfs/dbraw/zinc/02/67/70/976026770.db2.gz OKYNIFLEKMHFIS-IBGZPJMESA-N 2 2 409.578 3.793 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428841922 976127831 /nfs/dbraw/zinc/12/78/31/976127831.db2.gz RIOKMJMTBQADMD-RBBKRZOGSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428841922 976127838 /nfs/dbraw/zinc/12/78/38/976127838.db2.gz RIOKMJMTBQADMD-RBBKRZOGSA-N 2 2 411.594 3.778 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000429016026 976296559 /nfs/dbraw/zinc/29/65/59/976296559.db2.gz AKQGXWLSFGRNDS-RXVVDRJESA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000429016026 976296574 /nfs/dbraw/zinc/29/65/74/976296574.db2.gz AKQGXWLSFGRNDS-RXVVDRJESA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016026 976296587 /nfs/dbraw/zinc/29/65/87/976296587.db2.gz AKQGXWLSFGRNDS-RXVVDRJESA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016026 976296598 /nfs/dbraw/zinc/29/65/98/976296598.db2.gz AKQGXWLSFGRNDS-RXVVDRJESA-N 2 2 420.395 3.589 20 0 HHADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1 ZINC000429292605 976572463 /nfs/dbraw/zinc/57/24/63/976572463.db2.gz HZHMDBDUTSSPKS-IERDGZPVSA-N 2 2 401.938 3.650 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442485 976721019 /nfs/dbraw/zinc/72/10/19/976721019.db2.gz LAGUNVVSRBWDRW-GCJKJVERSA-N 2 2 411.546 3.595 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442485 976721029 /nfs/dbraw/zinc/72/10/29/976721029.db2.gz LAGUNVVSRBWDRW-GCJKJVERSA-N 2 2 411.546 3.595 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000429483326 976744245 /nfs/dbraw/zinc/74/42/45/976744245.db2.gz XOZLTKYOBYEYGN-OAQYLSRUSA-N 2 2 420.479 3.632 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000429483326 976744258 /nfs/dbraw/zinc/74/42/58/976744258.db2.gz XOZLTKYOBYEYGN-OAQYLSRUSA-N 2 2 420.479 3.632 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429700540 976994227 /nfs/dbraw/zinc/99/42/27/976994227.db2.gz ICWOPIXATFDPGL-UHFFFAOYSA-N 2 2 403.910 3.924 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430844027 977795186 /nfs/dbraw/zinc/79/51/86/977795186.db2.gz IBGCSJDXXZMEMO-VQTJNVASSA-N 2 2 403.958 3.621 20 0 HHADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430910881 977878028 /nfs/dbraw/zinc/87/80/28/977878028.db2.gz YWKPNUGQJSDEAR-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430910881 977878034 /nfs/dbraw/zinc/87/80/34/977878034.db2.gz YWKPNUGQJSDEAR-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000430926989 977892245 /nfs/dbraw/zinc/89/22/45/977892245.db2.gz PWFRVRNCEYAYHY-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000430926989 977892249 /nfs/dbraw/zinc/89/22/49/977892249.db2.gz PWFRVRNCEYAYHY-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930706 977894529 /nfs/dbraw/zinc/89/45/29/977894529.db2.gz YDJHVHQYQXNOTI-LJQANCHMSA-N 3 2 411.594 3.926 20 0 HHADLP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930706 977894537 /nfs/dbraw/zinc/89/45/37/977894537.db2.gz YDJHVHQYQXNOTI-LJQANCHMSA-N 3 2 411.594 3.926 20 0 HHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941042 977903695 /nfs/dbraw/zinc/90/36/95/977903695.db2.gz TWJWIXHSHBYKIR-SFHVURJKSA-N 3 2 411.594 3.525 20 0 HHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941042 977903700 /nfs/dbraw/zinc/90/37/00/977903700.db2.gz TWJWIXHSHBYKIR-SFHVURJKSA-N 3 2 411.594 3.525 20 0 HHADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430950407 977909396 /nfs/dbraw/zinc/90/93/96/977909396.db2.gz HRRZKZOGLXTBSP-QGZVFWFLSA-N 3 2 417.623 3.987 20 0 HHADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430950407 977909400 /nfs/dbraw/zinc/90/94/00/977909400.db2.gz HRRZKZOGLXTBSP-QGZVFWFLSA-N 3 2 417.623 3.987 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431350478 978228995 /nfs/dbraw/zinc/22/89/95/978228995.db2.gz ODUWSTCBTDFKTB-DEOSSOPVSA-N 2 2 419.569 3.566 20 0 HHADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000431822508 978537772 /nfs/dbraw/zinc/53/77/72/978537772.db2.gz JWFFRVWZPVBUFI-LJQANCHMSA-N 2 2 423.561 3.574 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2OC)o1 ZINC000432801691 978978288 /nfs/dbraw/zinc/97/82/88/978978288.db2.gz XVZZLEYVZLIIET-GOSISDBHSA-N 2 2 416.518 3.570 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2OC)o1 ZINC000432801691 978978292 /nfs/dbraw/zinc/97/82/92/978978292.db2.gz XVZZLEYVZLIIET-GOSISDBHSA-N 2 2 416.518 3.570 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2OC)o1 ZINC000432801692 978978366 /nfs/dbraw/zinc/97/83/66/978978366.db2.gz XVZZLEYVZLIIET-SFHVURJKSA-N 2 2 416.518 3.570 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2OC)o1 ZINC000432801692 978978369 /nfs/dbraw/zinc/97/83/69/978978369.db2.gz XVZZLEYVZLIIET-SFHVURJKSA-N 2 2 416.518 3.570 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915479 979676831 /nfs/dbraw/zinc/67/68/31/979676831.db2.gz QDZYOHJPABPPGO-LKUPVBHCSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915479 979676835 /nfs/dbraw/zinc/67/68/35/979676835.db2.gz QDZYOHJPABPPGO-LKUPVBHCSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915479 979676843 /nfs/dbraw/zinc/67/68/43/979676843.db2.gz QDZYOHJPABPPGO-LKUPVBHCSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915479 979676849 /nfs/dbraw/zinc/67/68/49/979676849.db2.gz QDZYOHJPABPPGO-LKUPVBHCSA-N 2 2 424.511 3.555 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)CC1 ZINC000434167894 979931973 /nfs/dbraw/zinc/93/19/73/979931973.db2.gz REWYESUOMZMNRI-HSZRJFAPSA-N 2 2 408.546 3.676 20 0 HHADLP CCCOc1cccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434687845 980340483 /nfs/dbraw/zinc/34/04/83/980340483.db2.gz ZOPBFZGQLQHMTD-UHFFFAOYSA-N 2 2 410.562 3.504 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434752438 980379393 /nfs/dbraw/zinc/37/93/93/980379393.db2.gz BFHCYNSNEOWEQU-INIZCTEOSA-N 2 2 400.954 3.930 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437643924 982262829 /nfs/dbraw/zinc/26/28/29/982262829.db2.gz DHIXHPVGPGGSEE-QFIPXVFZSA-N 2 2 409.578 3.570 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437643924 982262832 /nfs/dbraw/zinc/26/28/32/982262832.db2.gz DHIXHPVGPGGSEE-QFIPXVFZSA-N 2 2 409.578 3.570 20 0 HHADLP CCCCCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460478679 982271484 /nfs/dbraw/zinc/27/14/84/982271484.db2.gz YBPVEBXOIXCJMU-UHFFFAOYSA-N 2 2 401.595 3.936 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460480956 982273282 /nfs/dbraw/zinc/27/32/82/982273282.db2.gz QQKKREAFBSWZLY-UHFFFAOYSA-N 2 2 403.530 3.501 20 0 HHADLP CC(C)Oc1ccc(Cl)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460506538 982295739 /nfs/dbraw/zinc/29/57/39/982295739.db2.gz GAYHAZMZLGLBMM-UHFFFAOYSA-N 2 2 407.986 3.807 20 0 HHADLP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437691232 982299603 /nfs/dbraw/zinc/29/96/03/982299603.db2.gz IJJWLLGLIRODJP-UHFFFAOYSA-N 2 2 407.537 3.604 20 0 HHADLP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437691232 982299612 /nfs/dbraw/zinc/29/96/12/982299612.db2.gz IJJWLLGLIRODJP-UHFFFAOYSA-N 2 2 407.537 3.604 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000437814278 982374136 /nfs/dbraw/zinc/37/41/36/982374136.db2.gz FZQXNPJJQLWOLB-BJKOFHAPSA-N 2 2 420.601 3.945 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437916060 982461323 /nfs/dbraw/zinc/46/13/23/982461323.db2.gz HYNSWLIDKNVXFA-LJQANCHMSA-N 2 2 421.948 3.853 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000438141531 982610585 /nfs/dbraw/zinc/61/05/85/982610585.db2.gz KKEZHBQIIQAOCF-JOCHJYFZSA-N 2 2 401.599 3.882 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000438141531 982610592 /nfs/dbraw/zinc/61/05/92/982610592.db2.gz KKEZHBQIIQAOCF-JOCHJYFZSA-N 2 2 401.599 3.882 20 0 HHADLP Cc1ccnc(-c2cccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)n1 ZINC000438172983 982632067 /nfs/dbraw/zinc/63/20/67/982632067.db2.gz CRQIDMOTDSUQPA-UHFFFAOYSA-N 2 2 422.577 3.524 20 0 HHADLP C[NH+](C)CCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000438234659 982670499 /nfs/dbraw/zinc/67/04/99/982670499.db2.gz VFHXEONJJPSFAP-IBGZPJMESA-N 2 2 411.481 3.548 20 0 HHADLP C[NH+](C)CCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000438234659 982670503 /nfs/dbraw/zinc/67/05/03/982670503.db2.gz VFHXEONJJPSFAP-IBGZPJMESA-N 2 2 411.481 3.548 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460991418 982711955 /nfs/dbraw/zinc/71/19/55/982711955.db2.gz XHIAXDHLMWYYGD-UHFFFAOYSA-N 2 2 411.512 3.612 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460991418 982711961 /nfs/dbraw/zinc/71/19/61/982711961.db2.gz XHIAXDHLMWYYGD-UHFFFAOYSA-N 2 2 411.512 3.612 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000438563229 982903988 /nfs/dbraw/zinc/90/39/88/982903988.db2.gz TXRLQGDUCJSCRO-MRXNPFEDSA-N 2 2 409.361 3.733 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461453999 983119642 /nfs/dbraw/zinc/11/96/42/983119642.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461453999 983119647 /nfs/dbraw/zinc/11/96/47/983119647.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000461453999 983119651 /nfs/dbraw/zinc/11/96/51/983119651.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000461453999 983119653 /nfs/dbraw/zinc/11/96/53/983119653.db2.gz HDEYQIOMOIWOKR-NJDAHSKKSA-N 2 2 406.574 3.619 20 0 HHADLP C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322883 983364885 /nfs/dbraw/zinc/36/48/85/983364885.db2.gz QCKMQNSNRXTUBB-NZQKXSOJSA-N 2 2 407.558 3.725 20 0 HHADLP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322883 983364887 /nfs/dbraw/zinc/36/48/87/983364887.db2.gz QCKMQNSNRXTUBB-NZQKXSOJSA-N 2 2 407.558 3.725 20 0 HHADLP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816872 983549417 /nfs/dbraw/zinc/54/94/17/983549417.db2.gz ZALCKHQUPPOPNO-NTKDMRAZSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816872 983549418 /nfs/dbraw/zinc/54/94/18/983549418.db2.gz ZALCKHQUPPOPNO-NTKDMRAZSA-N 2 2 408.590 3.824 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440279567 983705226 /nfs/dbraw/zinc/70/52/26/983705226.db2.gz GPROZWZRTMXHFW-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440279567 983705230 /nfs/dbraw/zinc/70/52/30/983705230.db2.gz GPROZWZRTMXHFW-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698924 983859302 /nfs/dbraw/zinc/85/93/02/983859302.db2.gz ALIQXVOLATXRKO-BGYRXZFFSA-N 2 2 415.626 3.989 20 0 HHADLP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698924 983859310 /nfs/dbraw/zinc/85/93/10/983859310.db2.gz ALIQXVOLATXRKO-BGYRXZFFSA-N 2 2 415.626 3.989 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000440828090 983926399 /nfs/dbraw/zinc/92/63/99/983926399.db2.gz SUQAZIAOORKXDG-HSZRJFAPSA-N 2 2 405.546 3.802 20 0 HHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000441011589 984021505 /nfs/dbraw/zinc/02/15/05/984021505.db2.gz PILRPHXHUINXED-UHFFFAOYSA-N 2 2 409.578 3.777 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378858 984219617 /nfs/dbraw/zinc/21/96/17/984219617.db2.gz NEBPVCMRKQUWMX-WMZHIEFXSA-N 2 2 406.530 3.544 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395930 984228671 /nfs/dbraw/zinc/22/86/71/984228671.db2.gz PTEZHXKINREUBW-WHSLLNHNSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395930 984228676 /nfs/dbraw/zinc/22/86/76/984228676.db2.gz PTEZHXKINREUBW-WHSLLNHNSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395930 984228684 /nfs/dbraw/zinc/22/86/84/984228684.db2.gz PTEZHXKINREUBW-WHSLLNHNSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441395930 984228690 /nfs/dbraw/zinc/22/86/90/984228690.db2.gz PTEZHXKINREUBW-WHSLLNHNSA-N 2 2 407.961 3.775 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424546 984244170 /nfs/dbraw/zinc/24/41/70/984244170.db2.gz VDFKFDZQKLWDCJ-AUSIDOKSSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424546 984244180 /nfs/dbraw/zinc/24/41/80/984244180.db2.gz VDFKFDZQKLWDCJ-AUSIDOKSSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424546 984244186 /nfs/dbraw/zinc/24/41/86/984244186.db2.gz VDFKFDZQKLWDCJ-AUSIDOKSSA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424546 984244188 /nfs/dbraw/zinc/24/41/88/984244188.db2.gz VDFKFDZQKLWDCJ-AUSIDOKSSA-N 2 2 413.581 3.702 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)c1 ZINC000442230887 984750403 /nfs/dbraw/zinc/75/04/03/984750403.db2.gz GNIRFTBXWIIISG-QFIPXVFZSA-N 2 2 409.534 3.608 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000442233933 984754423 /nfs/dbraw/zinc/75/44/23/984754423.db2.gz DQXSIFOSCVQAFY-XZOQPEGZSA-N 2 2 405.546 3.843 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000442234388 984755234 /nfs/dbraw/zinc/75/52/34/984755234.db2.gz ADOAHKQJWCKASP-QHCPKHFHSA-N 2 2 409.578 3.759 20 0 HHADLP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462007704 984987220 /nfs/dbraw/zinc/98/72/20/984987220.db2.gz NJUCXAISSHODQT-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462007704 984987227 /nfs/dbraw/zinc/98/72/27/984987227.db2.gz NJUCXAISSHODQT-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)CC2)[nH+]1 ZINC000462173536 985152442 /nfs/dbraw/zinc/15/24/42/985152442.db2.gz DBSWPLNZGWBMMB-GOSISDBHSA-N 2 2 413.591 3.509 20 0 HHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000462183989 985164763 /nfs/dbraw/zinc/16/47/63/985164763.db2.gz ARCUOTBLXFZTCE-KRWDZBQOSA-N 2 2 422.411 3.619 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254250 985238094 /nfs/dbraw/zinc/23/80/94/985238094.db2.gz BQAOUZUHSKFYCO-DENIHFKCSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254250 985238106 /nfs/dbraw/zinc/23/81/06/985238106.db2.gz BQAOUZUHSKFYCO-DENIHFKCSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000462303798 985290218 /nfs/dbraw/zinc/29/02/18/985290218.db2.gz BHJPJCKWSCOHHX-SJORKVTESA-N 2 2 418.632 3.645 20 0 HHADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000462303798 985290237 /nfs/dbraw/zinc/29/02/37/985290237.db2.gz BHJPJCKWSCOHHX-SJORKVTESA-N 2 2 418.632 3.645 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)s1 ZINC000443314186 985487728 /nfs/dbraw/zinc/48/77/28/985487728.db2.gz RAGGEQFXUPAJRX-OAHLLOKOSA-N 2 2 422.392 3.506 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467912052 985543346 /nfs/dbraw/zinc/54/33/46/985543346.db2.gz RMRCTPAUQFGNSL-DHIUTWEWSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467912052 985543352 /nfs/dbraw/zinc/54/33/52/985543352.db2.gz RMRCTPAUQFGNSL-DHIUTWEWSA-N 2 2 415.597 3.944 20 0 HHADLP Cc1cc(N2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000443477949 985652767 /nfs/dbraw/zinc/65/27/67/985652767.db2.gz SDFLCDOGKHDKKD-SFHVURJKSA-N 2 2 422.495 3.653 20 0 HHADLP COCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750230 985691413 /nfs/dbraw/zinc/69/14/13/985691413.db2.gz NAVWQQUDDZAAPL-FGZHOGPDSA-N 2 2 422.658 3.562 20 0 HHADLP COCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750230 985691423 /nfs/dbraw/zinc/69/14/23/985691423.db2.gz NAVWQQUDDZAAPL-FGZHOGPDSA-N 2 2 422.658 3.562 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)cc2)CC1 ZINC000462774693 985710627 /nfs/dbraw/zinc/71/06/27/985710627.db2.gz CYACVRZIVKYYLQ-UHFFFAOYSA-N 2 2 403.530 3.883 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000443594227 985769850 /nfs/dbraw/zinc/76/98/50/985769850.db2.gz QRUATPGTRBDNIZ-KNQAVFIVSA-N 2 2 402.583 3.712 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000443594227 985769863 /nfs/dbraw/zinc/76/98/63/985769863.db2.gz QRUATPGTRBDNIZ-KNQAVFIVSA-N 2 2 402.583 3.712 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000463137720 986106239 /nfs/dbraw/zinc/10/62/39/986106239.db2.gz MNZWLIPUHCBARF-IBGZPJMESA-N 2 2 415.603 3.988 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208593 986389414 /nfs/dbraw/zinc/38/94/14/986389414.db2.gz YFEZDIGSWFZMRG-UGKGYDQZSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208593 986389425 /nfs/dbraw/zinc/38/94/25/986389425.db2.gz YFEZDIGSWFZMRG-UGKGYDQZSA-N 2 2 409.578 3.884 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CC1 ZINC000463623672 986598989 /nfs/dbraw/zinc/59/89/89/986598989.db2.gz ORFKWJBPIXTKAF-UHFFFAOYSA-N 2 2 410.537 3.540 20 0 HHADLP Cc1ccc([C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+]2CCCC2)o1 ZINC000469099680 986814973 /nfs/dbraw/zinc/81/49/73/986814973.db2.gz YONFDKWRBFGOPV-KRWDZBQOSA-N 2 2 415.444 3.673 20 0 HHADLP O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690518 986867629 /nfs/dbraw/zinc/86/76/29/986867629.db2.gz TVFNBRNZSHAIIN-QAPCUYQASA-N 2 2 417.903 3.867 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690518 986867635 /nfs/dbraw/zinc/86/76/35/986867635.db2.gz TVFNBRNZSHAIIN-QAPCUYQASA-N 2 2 417.903 3.867 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000444744205 986909679 /nfs/dbraw/zinc/90/96/79/986909679.db2.gz OEAMHGIWWIVNIR-HNNXBMFYSA-N 2 2 422.392 3.506 20 0 HHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791446 986946114 /nfs/dbraw/zinc/94/61/14/986946114.db2.gz MXXIVMGZOZPGJN-KNQAVFIVSA-N 2 2 404.514 3.988 20 0 HHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791446 986946125 /nfs/dbraw/zinc/94/61/25/986946125.db2.gz MXXIVMGZOZPGJN-KNQAVFIVSA-N 2 2 404.514 3.988 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803184 986959332 /nfs/dbraw/zinc/95/93/32/986959332.db2.gz YXCNSDZMOFHSMN-CABCVRRESA-N 2 2 405.340 3.698 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803184 986959336 /nfs/dbraw/zinc/95/93/36/986959336.db2.gz YXCNSDZMOFHSMN-CABCVRRESA-N 2 2 405.340 3.698 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000444836425 986994288 /nfs/dbraw/zinc/99/42/88/986994288.db2.gz LSSYWVCDLBLARK-UHFFFAOYSA-N 2 2 402.436 3.525 20 0 HHADLP COc1cccc([C@@H](C)CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000469304021 987018536 /nfs/dbraw/zinc/01/85/36/987018536.db2.gz ZPONOIRLIDIQOL-IBGZPJMESA-N 2 2 401.595 3.644 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000469482847 987164242 /nfs/dbraw/zinc/16/42/42/987164242.db2.gz YJYPKSPWSBLLRD-UHFFFAOYSA-N 2 2 416.569 3.647 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000469482847 987164243 /nfs/dbraw/zinc/16/42/43/987164243.db2.gz YJYPKSPWSBLLRD-UHFFFAOYSA-N 2 2 416.569 3.647 20 0 HHADLP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469682986 987340620 /nfs/dbraw/zinc/34/06/20/987340620.db2.gz WTVNIWIQVIYKPV-RTBURBONSA-N 2 2 401.599 3.599 20 0 HHADLP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469759221 987412581 /nfs/dbraw/zinc/41/25/81/987412581.db2.gz XDMZEEWXCZUTLS-AOMKIAJQSA-N 2 2 410.468 3.992 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000469788388 987433820 /nfs/dbraw/zinc/43/38/20/987433820.db2.gz UFNHPCURIFOHQY-WBVHZDCISA-N 2 2 423.399 3.562 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000469788388 987433822 /nfs/dbraw/zinc/43/38/22/987433822.db2.gz UFNHPCURIFOHQY-WBVHZDCISA-N 2 2 423.399 3.562 20 0 HHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000469789348 987434698 /nfs/dbraw/zinc/43/46/98/987434698.db2.gz FAEVXWULHBFVJW-QFBILLFUSA-N 2 2 400.592 3.815 20 0 HHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000469789348 987434704 /nfs/dbraw/zinc/43/47/04/987434704.db2.gz FAEVXWULHBFVJW-QFBILLFUSA-N 2 2 400.592 3.815 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000469985094 987601105 /nfs/dbraw/zinc/60/11/05/987601105.db2.gz WEVXRDJLSXVUME-UHFFFAOYSA-N 2 2 404.514 3.585 20 0 HHADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000464067388 988188430 /nfs/dbraw/zinc/18/84/30/988188430.db2.gz KDQAOOPAAFDJPX-IBGZPJMESA-N 2 2 408.384 3.717 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000470288963 988247256 /nfs/dbraw/zinc/24/72/56/988247256.db2.gz VEIGJEHDLZZTAJ-NVXWUHKLSA-N 2 2 409.456 3.620 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000470300668 988259448 /nfs/dbraw/zinc/25/94/48/988259448.db2.gz ZGNFQSGTJMHGJK-FGZHOGPDSA-N 2 2 411.594 3.541 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000470300668 988259458 /nfs/dbraw/zinc/25/94/58/988259458.db2.gz ZGNFQSGTJMHGJK-FGZHOGPDSA-N 2 2 411.594 3.541 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000470491817 988483684 /nfs/dbraw/zinc/48/36/84/988483684.db2.gz AVUJCROVLAQBKN-LJQANCHMSA-N 2 2 421.589 3.667 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)ccc1Br ZINC000464677121 988878977 /nfs/dbraw/zinc/87/89/77/988878977.db2.gz LMWLYXYXBBJFSJ-IBGZPJMESA-N 2 2 417.351 3.787 20 0 HHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938104 989006544 /nfs/dbraw/zinc/00/65/44/989006544.db2.gz SGHFZGNZIKZOHB-UWWQBHOKSA-N 2 2 417.903 3.866 20 0 HHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938104 989006553 /nfs/dbraw/zinc/00/65/53/989006553.db2.gz SGHFZGNZIKZOHB-UWWQBHOKSA-N 2 2 417.903 3.866 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000464783347 989011851 /nfs/dbraw/zinc/01/18/51/989011851.db2.gz JSPFJKZGSBWWRA-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000464783347 989011858 /nfs/dbraw/zinc/01/18/58/989011858.db2.gz JSPFJKZGSBWWRA-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804565 989033637 /nfs/dbraw/zinc/03/36/37/989033637.db2.gz GHHCMFKJAZJWTD-HXUWFJFHSA-N 2 2 424.589 3.848 20 0 HHADLP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804565 989033645 /nfs/dbraw/zinc/03/36/45/989033645.db2.gz GHHCMFKJAZJWTD-HXUWFJFHSA-N 2 2 424.589 3.848 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464806799 989037576 /nfs/dbraw/zinc/03/75/76/989037576.db2.gz RILWVCAAWZGVQW-QHCPKHFHSA-N 2 2 414.619 3.709 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464806799 989037586 /nfs/dbraw/zinc/03/75/86/989037586.db2.gz RILWVCAAWZGVQW-QHCPKHFHSA-N 2 2 414.619 3.709 20 0 HHADLP CC[N@@H+](Cc1nc(CCc2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813297 989048811 /nfs/dbraw/zinc/04/88/11/989048811.db2.gz YFCXQHQDHPUBNU-UHFFFAOYSA-N 2 2 405.546 3.988 20 0 HHADLP CC[N@H+](Cc1nc(CCc2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813297 989048820 /nfs/dbraw/zinc/04/88/20/989048820.db2.gz YFCXQHQDHPUBNU-UHFFFAOYSA-N 2 2 405.546 3.988 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841778 989088533 /nfs/dbraw/zinc/08/85/33/989088533.db2.gz XWVIRJIDOJDFLQ-XMMPIXPASA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841778 989088546 /nfs/dbraw/zinc/08/85/46/989088546.db2.gz XWVIRJIDOJDFLQ-XMMPIXPASA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841778 989088557 /nfs/dbraw/zinc/08/85/57/989088557.db2.gz XWVIRJIDOJDFLQ-XMMPIXPASA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841778 989088565 /nfs/dbraw/zinc/08/85/65/989088565.db2.gz XWVIRJIDOJDFLQ-XMMPIXPASA-N 2 2 405.586 3.940 20 0 HHADLP CSc1ccccc1NC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471184625 989317260 /nfs/dbraw/zinc/31/72/60/989317260.db2.gz DCMMKTJIRQDYNU-UHFFFAOYSA-N 2 2 412.603 3.771 20 0 HHADLP CSc1ccccc1NC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471184625 989317270 /nfs/dbraw/zinc/31/72/70/989317270.db2.gz DCMMKTJIRQDYNU-UHFFFAOYSA-N 2 2 412.603 3.771 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274594 989425781 /nfs/dbraw/zinc/42/57/81/989425781.db2.gz WXVPWPNFYRAZDO-RBBKRZOGSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274594 989425794 /nfs/dbraw/zinc/42/57/94/989425794.db2.gz WXVPWPNFYRAZDO-RBBKRZOGSA-N 2 2 422.573 3.723 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000465540327 989903815 /nfs/dbraw/zinc/90/38/15/989903815.db2.gz HTZBWNNPLDBKHY-HXUWFJFHSA-N 2 2 415.607 3.694 20 0 HHADLP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000465552936 989916301 /nfs/dbraw/zinc/91/63/01/989916301.db2.gz ZPKCZCIDMXXUPN-IBGZPJMESA-N 2 2 410.965 3.790 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCc2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000465603097 989984231 /nfs/dbraw/zinc/98/42/31/989984231.db2.gz NXFDDVCOXRBSBW-UHFFFAOYSA-N 2 2 408.590 3.632 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465693046 990079442 /nfs/dbraw/zinc/07/94/42/990079442.db2.gz NKYKVBKLVWLYPL-JOCHJYFZSA-N 2 2 421.589 3.604 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465693046 990079451 /nfs/dbraw/zinc/07/94/51/990079451.db2.gz NKYKVBKLVWLYPL-JOCHJYFZSA-N 2 2 421.589 3.604 20 0 HHADLP C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465767605 990152055 /nfs/dbraw/zinc/15/20/55/990152055.db2.gz CKIRIJYFLPZYKO-OAQYLSRUSA-N 2 2 414.638 3.992 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804566 990187214 /nfs/dbraw/zinc/18/72/14/990187214.db2.gz DDUZNKKJNZMZIF-ZEQRLZLVSA-N 2 2 412.622 3.831 20 0 HHADLP Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465806793 990189548 /nfs/dbraw/zinc/18/95/48/990189548.db2.gz HBVWGIPSVLSCQS-UTKZUKDTSA-N 2 2 402.583 3.629 20 0 HHADLP CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465809103 990191097 /nfs/dbraw/zinc/19/10/97/990191097.db2.gz KEDOCUGQHYABJB-PGRDOPGGSA-N 2 2 416.610 3.883 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCc2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000465820875 990204471 /nfs/dbraw/zinc/20/44/71/990204471.db2.gz XJCOVHLJEILQPM-UHFFFAOYSA-N 2 2 407.002 3.522 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCCCOC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000465884217 991006869 /nfs/dbraw/zinc/00/68/69/991006869.db2.gz FLZNJNVHIPWXSA-UHFFFAOYSA-N 2 2 422.658 3.756 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000465937235 991073715 /nfs/dbraw/zinc/07/37/15/991073715.db2.gz GNIYNMOSENKFHQ-UHFFFAOYSA-N 2 2 421.029 3.867 20 0 HHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000465993761 991156835 /nfs/dbraw/zinc/15/68/35/991156835.db2.gz YHGLNSGTTYPJIT-HXUWFJFHSA-N 2 2 408.537 3.665 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466026751 991196290 /nfs/dbraw/zinc/19/62/90/991196290.db2.gz RJAAEJCUBFWMRQ-QHCPKHFHSA-N 2 2 417.557 3.926 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466026751 991196294 /nfs/dbraw/zinc/19/62/94/991196294.db2.gz RJAAEJCUBFWMRQ-QHCPKHFHSA-N 2 2 417.557 3.926 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000466136316 991317082 /nfs/dbraw/zinc/31/70/82/991317082.db2.gz DMZPNMZIDAXVGH-HXUWFJFHSA-N 2 2 419.013 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000466140417 991322104 /nfs/dbraw/zinc/32/21/04/991322104.db2.gz DBUKORMLSIJVQP-HSZRJFAPSA-N 2 2 412.622 3.601 20 0 HHADLP Cc1ccc(CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)cc1C ZINC000466152486 991338069 /nfs/dbraw/zinc/33/80/69/991338069.db2.gz FCPMFCLXBZBCKC-UHFFFAOYSA-N 2 2 412.622 3.928 20 0 HHADLP Cc1ccccc1C[C@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466161404 991349822 /nfs/dbraw/zinc/34/98/22/991349822.db2.gz XQGUSBAMKXDDHE-HSZRJFAPSA-N 2 2 412.622 3.662 20 0 HHADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000466857889 992176372 /nfs/dbraw/zinc/17/63/72/992176372.db2.gz NDTBOCYOBZEJFW-BJKOFHAPSA-N 2 2 417.557 3.715 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466879617 992201100 /nfs/dbraw/zinc/20/11/00/992201100.db2.gz ABJWIUUVPZHMPI-FCHUYYIVSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466879617 992201111 /nfs/dbraw/zinc/20/11/11/992201111.db2.gz ABJWIUUVPZHMPI-FCHUYYIVSA-N 2 2 411.594 3.647 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467210204 992534617 /nfs/dbraw/zinc/53/46/17/992534617.db2.gz CIPDIBAYBVMGJR-HNNXBMFYSA-N 2 2 414.377 3.897 20 0 HHADLP CC(C)OCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472160511 993210360 /nfs/dbraw/zinc/21/03/60/993210360.db2.gz SWGZZXNYHRZZEZ-FQEVSTJZSA-N 2 2 402.501 3.778 20 0 HHADLP CC(C)OCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472160511 993210366 /nfs/dbraw/zinc/21/03/66/993210366.db2.gz SWGZZXNYHRZZEZ-FQEVSTJZSA-N 2 2 402.501 3.778 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000472320366 993331465 /nfs/dbraw/zinc/33/14/65/993331465.db2.gz ADJJQRXTQXTXOF-UNMCSNQZSA-N 2 2 405.502 3.529 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000472320366 993331470 /nfs/dbraw/zinc/33/14/70/993331470.db2.gz ADJJQRXTQXTXOF-UNMCSNQZSA-N 2 2 405.502 3.529 20 0 HHADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000472570229 993540558 /nfs/dbraw/zinc/54/05/58/993540558.db2.gz MLCPDAIUSFNNPF-PMACEKPBSA-N 2 2 412.578 3.680 20 0 HHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756794 993622777 /nfs/dbraw/zinc/62/27/77/993622777.db2.gz AFXHLPXJUZVYFS-VGOFRKELSA-N 2 2 401.576 3.619 20 0 HHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756794 993622783 /nfs/dbraw/zinc/62/27/83/993622783.db2.gz AFXHLPXJUZVYFS-VGOFRKELSA-N 2 2 401.576 3.619 20 0 HHADLP O=C(CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000480767231 993631108 /nfs/dbraw/zinc/63/11/08/993631108.db2.gz WMQAAYWVKUZAAY-VWLOTQADSA-N 2 2 418.516 3.639 20 0 HHADLP CCn1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000480791906 993660055 /nfs/dbraw/zinc/66/00/55/993660055.db2.gz AGJJDBHTHOPFIZ-QGZVFWFLSA-N 2 2 409.500 3.785 20 0 HHADLP CCn1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000480791905 993660192 /nfs/dbraw/zinc/66/01/92/993660192.db2.gz AGJJDBHTHOPFIZ-KRWDZBQOSA-N 2 2 409.500 3.785 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163601 993995504 /nfs/dbraw/zinc/99/55/04/993995504.db2.gz AJJMLRGTLQGJOJ-REWPJTCUSA-N 2 2 421.589 3.511 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163601 993995515 /nfs/dbraw/zinc/99/55/15/993995515.db2.gz AJJMLRGTLQGJOJ-REWPJTCUSA-N 2 2 421.589 3.511 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000481181348 994011241 /nfs/dbraw/zinc/01/12/41/994011241.db2.gz VSVBQUZBDDNPRN-BZRIBIQUSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000481181348 994011248 /nfs/dbraw/zinc/01/12/48/994011248.db2.gz VSVBQUZBDDNPRN-BZRIBIQUSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183152 994013357 /nfs/dbraw/zinc/01/33/57/994013357.db2.gz QIKPCDJEDWSRFJ-SJLPKXTDSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183152 994013359 /nfs/dbraw/zinc/01/33/59/994013359.db2.gz QIKPCDJEDWSRFJ-SJLPKXTDSA-N 2 2 403.473 3.727 20 0 HHADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481207557 994040956 /nfs/dbraw/zinc/04/09/56/994040956.db2.gz QUBJZFUCUFUESA-HXUWFJFHSA-N 2 2 402.535 3.863 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000481295543 994111120 /nfs/dbraw/zinc/11/11/20/994111120.db2.gz PJSCNHCAVZYQLB-HXUWFJFHSA-N 2 2 420.557 3.682 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000481314069 994131885 /nfs/dbraw/zinc/13/18/85/994131885.db2.gz BBWIOBHOUBVESJ-GOSISDBHSA-N 2 2 408.546 3.654 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320295 994140228 /nfs/dbraw/zinc/14/02/28/994140228.db2.gz ZLXJZOBMLSZSPP-JOCHJYFZSA-N 2 2 418.589 3.516 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000481406507 994239467 /nfs/dbraw/zinc/23/94/67/994239467.db2.gz QRZQPBCOTSAQGY-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC(F)F)c1 ZINC000481408755 994243543 /nfs/dbraw/zinc/24/35/43/994243543.db2.gz USBLABCFFOEHMX-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481411199 994244841 /nfs/dbraw/zinc/24/48/41/994244841.db2.gz DRQHDVUCWLCTRG-KRWDZBQOSA-N 2 2 412.559 3.800 20 0 HHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481412214 994245910 /nfs/dbraw/zinc/24/59/10/994245910.db2.gz FVWMCISGZRTDNA-NRFANRHFSA-N 2 2 402.535 3.863 20 0 HHADLP COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000481581465 994421030 /nfs/dbraw/zinc/42/10/30/994421030.db2.gz WUQSSSVZDFJHSH-XMMPIXPASA-N 2 2 410.558 3.590 20 0 HHADLP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481585822 994430040 /nfs/dbraw/zinc/43/00/40/994430040.db2.gz WQBOUVOPQCMEFI-KXBFYZLASA-N 2 2 405.420 3.982 20 0 HHADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481930499 994802410 /nfs/dbraw/zinc/80/24/10/994802410.db2.gz ZWXZIXADKRBKOZ-KRWDZBQOSA-N 2 2 410.971 3.576 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000473875773 994819208 /nfs/dbraw/zinc/81/92/08/994819208.db2.gz LXZVHNYFGBQSKG-WOJBJXKFSA-N 2 2 421.589 3.638 20 0 HHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019885 994931271 /nfs/dbraw/zinc/93/12/71/994931271.db2.gz WXYLDJJXLRCXAW-RDTXWAMCSA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019885 994931280 /nfs/dbraw/zinc/93/12/80/994931280.db2.gz WXYLDJJXLRCXAW-RDTXWAMCSA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019882 994931306 /nfs/dbraw/zinc/93/13/06/994931306.db2.gz WXYLDJJXLRCXAW-KDOFPFPSSA-N 2 2 406.621 3.773 20 0 HHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cs2)cs1 ZINC000482019882 994931316 /nfs/dbraw/zinc/93/13/16/994931316.db2.gz WXYLDJJXLRCXAW-KDOFPFPSSA-N 2 2 406.621 3.773 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482020285 994933030 /nfs/dbraw/zinc/93/30/30/994933030.db2.gz PDPBIOHRYCHRPQ-XZOQPEGZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482020285 994933036 /nfs/dbraw/zinc/93/30/36/994933036.db2.gz PDPBIOHRYCHRPQ-XZOQPEGZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000482022553 994936076 /nfs/dbraw/zinc/93/60/76/994936076.db2.gz YDXFAYMAMSILLV-UPVQGACJSA-N 2 2 416.525 3.897 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000482022553 994936090 /nfs/dbraw/zinc/93/60/90/994936090.db2.gz YDXFAYMAMSILLV-UPVQGACJSA-N 2 2 416.525 3.897 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000482053008 994979562 /nfs/dbraw/zinc/97/95/62/994979562.db2.gz IKBNBTIOXFMHFJ-SFHVURJKSA-N 2 2 420.513 3.881 20 0 HHADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000482106584 995052958 /nfs/dbraw/zinc/05/29/58/995052958.db2.gz BRSVNMHKZOWATL-IBGZPJMESA-N 2 2 418.541 3.765 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130325 995079260 /nfs/dbraw/zinc/07/92/60/995079260.db2.gz DHSZKYKQYOCCGA-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130325 995079268 /nfs/dbraw/zinc/07/92/68/995079268.db2.gz DHSZKYKQYOCCGA-NTKDMRAZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130324 995079845 /nfs/dbraw/zinc/07/98/45/995079845.db2.gz DHSZKYKQYOCCGA-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130324 995079855 /nfs/dbraw/zinc/07/98/55/995079855.db2.gz DHSZKYKQYOCCGA-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)o2)cc1 ZINC000482222526 995207401 /nfs/dbraw/zinc/20/74/01/995207401.db2.gz MYVHDZXXASCADI-FCHUYYIVSA-N 2 2 412.530 3.591 20 0 HHADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccn2cc[nH+]c2c1 ZINC000474256856 995256341 /nfs/dbraw/zinc/25/63/41/995256341.db2.gz BLTBFVBKZDQHTC-UHFFFAOYSA-N 2 2 419.573 3.868 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000474292628 995284280 /nfs/dbraw/zinc/28/42/80/995284280.db2.gz OVJSJJGVBLYEOU-QFIPXVFZSA-N 2 2 410.468 3.740 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000474292628 995284293 /nfs/dbraw/zinc/28/42/93/995284293.db2.gz OVJSJJGVBLYEOU-QFIPXVFZSA-N 2 2 410.468 3.740 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000474385835 995362308 /nfs/dbraw/zinc/36/23/08/995362308.db2.gz AOBYINYDSBTMLX-UHFFFAOYSA-N 2 2 400.473 3.781 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474612163 995565119 /nfs/dbraw/zinc/56/51/19/995565119.db2.gz NUVMBPGUFDFFIS-QZTJIDSGSA-N 2 2 400.954 3.556 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cn2c1 ZINC000474783504 995708710 /nfs/dbraw/zinc/70/87/10/995708710.db2.gz LTDMROJYDZAZEF-FDDCHVKYSA-N 2 2 410.587 3.992 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)CCC2 ZINC000474809236 995719053 /nfs/dbraw/zinc/71/90/53/995719053.db2.gz MIXWKFBEYXHVCJ-LLVKDONJSA-N 2 2 417.241 3.742 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1c(Br)cccc1Br ZINC000482795121 995753496 /nfs/dbraw/zinc/75/34/96/995753496.db2.gz MZKKCKZAXNYSCK-UHFFFAOYSA-N 2 2 417.145 3.809 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1c(Br)cccc1Br ZINC000482795121 995753506 /nfs/dbraw/zinc/75/35/06/995753506.db2.gz MZKKCKZAXNYSCK-UHFFFAOYSA-N 2 2 417.145 3.809 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482864914 995801784 /nfs/dbraw/zinc/80/17/84/995801784.db2.gz IMVHAXSQHCKCPP-KRWDZBQOSA-N 2 2 414.619 3.636 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000483042862 995937161 /nfs/dbraw/zinc/93/71/61/995937161.db2.gz LLPYAFAGLPZIOT-WOJBJXKFSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121727 995988605 /nfs/dbraw/zinc/98/86/05/995988605.db2.gz QJXVCCLCPGFAHA-XXBNENTESA-N 2 2 413.587 3.542 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121727 995988610 /nfs/dbraw/zinc/98/86/10/995988610.db2.gz QJXVCCLCPGFAHA-XXBNENTESA-N 2 2 413.587 3.542 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149804 996004135 /nfs/dbraw/zinc/00/41/35/996004135.db2.gz XQIPRNFMLSRGBF-SFHVURJKSA-N 2 2 405.583 3.595 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225277 996008598 /nfs/dbraw/zinc/00/85/98/996008598.db2.gz URJLIOZDYXWHQK-HLAWJBBLSA-N 2 2 418.628 3.932 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225277 996008600 /nfs/dbraw/zinc/00/86/00/996008600.db2.gz URJLIOZDYXWHQK-HLAWJBBLSA-N 2 2 418.628 3.932 20 0 HHADLP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475357524 996087973 /nfs/dbraw/zinc/08/79/73/996087973.db2.gz UITONHMUXAWJST-UHFFFAOYSA-N 2 2 403.533 3.809 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000475394912 996111449 /nfs/dbraw/zinc/11/14/49/996111449.db2.gz YGVWTGNSCNLKEP-UHFFFAOYSA-N 2 2 418.513 3.713 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)([NH+]2CCCCC2)CC1 ZINC000483391469 996146959 /nfs/dbraw/zinc/14/69/59/996146959.db2.gz DQTTXOZFSOWDIV-WOJBJXKFSA-N 2 2 416.585 3.711 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000483527536 996234065 /nfs/dbraw/zinc/23/40/65/996234065.db2.gz LHQFDZWWPKCPNP-XMMPIXPASA-N 2 2 400.526 3.730 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000483527536 996234068 /nfs/dbraw/zinc/23/40/68/996234068.db2.gz LHQFDZWWPKCPNP-XMMPIXPASA-N 2 2 400.526 3.730 20 0 HHADLP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706668 996340102 /nfs/dbraw/zinc/34/01/02/996340102.db2.gz DDZNTRQKUJGBFG-ZWKOTPCHSA-N 2 2 404.576 3.660 20 0 HHADLP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706668 996340106 /nfs/dbraw/zinc/34/01/06/996340106.db2.gz DDZNTRQKUJGBFG-ZWKOTPCHSA-N 2 2 404.576 3.660 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475811076 996385792 /nfs/dbraw/zinc/38/57/92/996385792.db2.gz CDTSSVBILCSCLL-WOJBJXKFSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475811076 996385795 /nfs/dbraw/zinc/38/57/95/996385795.db2.gz CDTSSVBILCSCLL-WOJBJXKFSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475811075 996385834 /nfs/dbraw/zinc/38/58/34/996385834.db2.gz CDTSSVBILCSCLL-VQTJNVASSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475811075 996385837 /nfs/dbraw/zinc/38/58/37/996385837.db2.gz CDTSSVBILCSCLL-VQTJNVASSA-N 2 2 418.651 3.813 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000483868183 996436802 /nfs/dbraw/zinc/43/68/02/996436802.db2.gz JXFOWYYJAUNUAV-NJDAHSKKSA-N 2 2 414.594 3.636 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)CC1 ZINC000483923858 996471478 /nfs/dbraw/zinc/47/14/78/996471478.db2.gz FKZNVBNOUHFVIA-UHFFFAOYSA-N 2 2 416.900 3.622 20 0 HHADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000484125668 996584171 /nfs/dbraw/zinc/58/41/71/996584171.db2.gz HJQSFTOJJOJVGI-WOJBJXKFSA-N 2 2 405.546 3.818 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1OC(F)F ZINC000484141938 996595199 /nfs/dbraw/zinc/59/51/99/996595199.db2.gz RPUMAINVJIQSLK-PWIZWCRZSA-N 2 2 420.500 3.830 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1OC(F)F ZINC000484141938 996595205 /nfs/dbraw/zinc/59/52/05/996595205.db2.gz RPUMAINVJIQSLK-PWIZWCRZSA-N 2 2 420.500 3.830 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000484141407 996595467 /nfs/dbraw/zinc/59/54/67/996595467.db2.gz IRTWMVXTLLEBSO-KKSFZXQISA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000484141407 996595473 /nfs/dbraw/zinc/59/54/73/996595473.db2.gz IRTWMVXTLLEBSO-KKSFZXQISA-N 2 2 419.363 3.745 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160363 996608466 /nfs/dbraw/zinc/60/84/66/996608466.db2.gz KRQHOXZXPOAKOO-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160363 996608470 /nfs/dbraw/zinc/60/84/70/996608470.db2.gz KRQHOXZXPOAKOO-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000476168912 996650593 /nfs/dbraw/zinc/65/05/93/996650593.db2.gz UCAVTKSGCUKQII-WMZHIEFXSA-N 2 2 405.546 3.730 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476242566 996701440 /nfs/dbraw/zinc/70/14/40/996701440.db2.gz AUQLNMRVGQBUKD-FOIQADDNSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476242566 996701445 /nfs/dbraw/zinc/70/14/45/996701445.db2.gz AUQLNMRVGQBUKD-FOIQADDNSA-N 2 2 412.484 3.650 20 0 HHADLP O=C(C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484612484 996945338 /nfs/dbraw/zinc/94/53/38/996945338.db2.gz FBSBSKSALWXJSV-DNQXCXABSA-N 2 2 407.558 3.773 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489067 996971872 /nfs/dbraw/zinc/97/18/72/996971872.db2.gz KWTBDYOYQCSVGY-VQTJNVASSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489067 996971887 /nfs/dbraw/zinc/97/18/87/996971887.db2.gz KWTBDYOYQCSVGY-VQTJNVASSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489067 996971899 /nfs/dbraw/zinc/97/18/99/996971899.db2.gz KWTBDYOYQCSVGY-VQTJNVASSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489067 996971912 /nfs/dbraw/zinc/97/19/12/996971912.db2.gz KWTBDYOYQCSVGY-VQTJNVASSA-N 2 2 424.589 3.857 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295591 997699751 /nfs/dbraw/zinc/69/97/51/997699751.db2.gz QSQVHBITTYLMHZ-OFNKIYASSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295591 997699756 /nfs/dbraw/zinc/69/97/56/997699756.db2.gz QSQVHBITTYLMHZ-OFNKIYASSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301003 997706395 /nfs/dbraw/zinc/70/63/95/997706395.db2.gz GUCBZQKIQIANRM-NFBKMPQASA-N 2 2 423.605 3.959 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301003 997706409 /nfs/dbraw/zinc/70/64/09/997706409.db2.gz GUCBZQKIQIANRM-NFBKMPQASA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485323402 997734964 /nfs/dbraw/zinc/73/49/64/997734964.db2.gz OSIBDYRJVSILDO-GGPKGHCWSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485323402 997734974 /nfs/dbraw/zinc/73/49/74/997734974.db2.gz OSIBDYRJVSILDO-GGPKGHCWSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485323402 997734987 /nfs/dbraw/zinc/73/49/87/997734987.db2.gz OSIBDYRJVSILDO-GGPKGHCWSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485323402 997734998 /nfs/dbraw/zinc/73/49/98/997734998.db2.gz OSIBDYRJVSILDO-GGPKGHCWSA-N 2 2 413.562 3.861 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@H]21 ZINC000485337551 997754915 /nfs/dbraw/zinc/75/49/15/997754915.db2.gz OGWVIUYGDMUJRF-ZYKOEDHHSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@H]21 ZINC000485337551 997754921 /nfs/dbraw/zinc/75/49/21/997754921.db2.gz OGWVIUYGDMUJRF-ZYKOEDHHSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@H]21 ZINC000485337551 997754927 /nfs/dbraw/zinc/75/49/27/997754927.db2.gz OGWVIUYGDMUJRF-ZYKOEDHHSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@H]21 ZINC000485337551 997754930 /nfs/dbraw/zinc/75/49/30/997754930.db2.gz OGWVIUYGDMUJRF-ZYKOEDHHSA-N 2 2 409.599 3.638 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485993687 998436618 /nfs/dbraw/zinc/43/66/18/998436618.db2.gz WKMQGLBEWBOLPS-FGZHOGPDSA-N 2 2 403.530 3.530 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485993687 998436622 /nfs/dbraw/zinc/43/66/22/998436622.db2.gz WKMQGLBEWBOLPS-FGZHOGPDSA-N 2 2 403.530 3.530 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCCc2ccc(F)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000477732599 998466919 /nfs/dbraw/zinc/46/69/19/998466919.db2.gz XUFOTJYAAHDNFO-UHFFFAOYSA-N 2 2 422.564 3.537 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000486107972 998555346 /nfs/dbraw/zinc/55/53/46/998555346.db2.gz GISOXYGSSHKKAU-OPYAIIAOSA-N 2 2 415.607 3.529 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000486107972 998555360 /nfs/dbraw/zinc/55/53/60/998555360.db2.gz GISOXYGSSHKKAU-OPYAIIAOSA-N 2 2 415.607 3.529 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486161154 998610611 /nfs/dbraw/zinc/61/06/11/998610611.db2.gz WNRYEZWFIZGCKG-ZCNNSNEGSA-N 2 2 418.651 3.667 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486161154 998610615 /nfs/dbraw/zinc/61/06/15/998610615.db2.gz WNRYEZWFIZGCKG-ZCNNSNEGSA-N 2 2 418.651 3.667 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486243633 998671567 /nfs/dbraw/zinc/67/15/67/998671567.db2.gz JTEVSGWCHWORNI-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486243633 998671571 /nfs/dbraw/zinc/67/15/71/998671571.db2.gz JTEVSGWCHWORNI-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255963 998679188 /nfs/dbraw/zinc/67/91/88/998679188.db2.gz WBBGEJDTAOZTJE-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255963 998679191 /nfs/dbraw/zinc/67/91/91/998679191.db2.gz WBBGEJDTAOZTJE-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486816142 998952491 /nfs/dbraw/zinc/95/24/91/998952491.db2.gz BDZZYUBHMVIRDV-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486816142 998952494 /nfs/dbraw/zinc/95/24/94/998952494.db2.gz BDZZYUBHMVIRDV-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905195 999000299 /nfs/dbraw/zinc/00/02/99/999000299.db2.gz DQVWKPNIXRWQKQ-FGZHOGPDSA-N 2 2 418.557 3.829 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905195 999000304 /nfs/dbraw/zinc/00/03/04/999000304.db2.gz DQVWKPNIXRWQKQ-FGZHOGPDSA-N 2 2 418.557 3.829 20 0 HHADLP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479360095 999402860 /nfs/dbraw/zinc/40/28/60/999402860.db2.gz OSONUHQJEAFUTG-DEOSSOPVSA-N 2 2 402.542 3.872 20 0 HHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000479488945 999440248 /nfs/dbraw/zinc/44/02/48/999440248.db2.gz LMLKCZKUHAGEAB-TZYSRNFLSA-N 2 2 419.513 3.514 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479537402 999466137 /nfs/dbraw/zinc/46/61/37/999466137.db2.gz CGAXTFVLKGCPKD-UHFFFAOYSA-N 2 2 403.526 3.879 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770487 999582551 /nfs/dbraw/zinc/58/25/51/999582551.db2.gz FAEZWAJUJRSYBX-VXKWHMMOSA-N 2 2 420.548 3.806 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770487 999582554 /nfs/dbraw/zinc/58/25/54/999582554.db2.gz FAEZWAJUJRSYBX-VXKWHMMOSA-N 2 2 420.548 3.806 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785517 999606977 /nfs/dbraw/zinc/60/69/77/999606977.db2.gz NRDYNTDRVXWDBL-LEWJYISDSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785517 999606980 /nfs/dbraw/zinc/60/69/80/999606980.db2.gz NRDYNTDRVXWDBL-LEWJYISDSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488789017 999608278 /nfs/dbraw/zinc/60/82/78/999608278.db2.gz UFQGJVXEYUAEIQ-FCHUYYIVSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488789017 999608280 /nfs/dbraw/zinc/60/82/80/999608280.db2.gz UFQGJVXEYUAEIQ-FCHUYYIVSA-N 2 2 406.014 3.987 20 0 HHADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000488790228 999608608 /nfs/dbraw/zinc/60/86/08/999608608.db2.gz BWOCGZYHTCBSRP-AVRDEDQJSA-N 2 2 415.965 3.523 20 0 HHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000479857283 999626995 /nfs/dbraw/zinc/62/69/95/999626995.db2.gz BKWDATOWYXQURE-SFHVURJKSA-N 2 2 404.580 3.625 20 0 HHADLP C[C@]1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000488906179 999642678 /nfs/dbraw/zinc/64/26/78/999642678.db2.gz XLPNDMNKMXXECO-XMMPIXPASA-N 2 2 403.530 3.726 20 0 HHADLP C[C@]1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000488906179 999642681 /nfs/dbraw/zinc/64/26/81/999642681.db2.gz XLPNDMNKMXXECO-XMMPIXPASA-N 2 2 403.530 3.726 20 0 HHADLP COc1cc2c(NCc3ccccc3OCC[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479947094 999658645 /nfs/dbraw/zinc/65/86/45/999658645.db2.gz NWMCIZVNCKMLOV-UHFFFAOYSA-N 2 2 411.477 3.706 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147750 999711918 /nfs/dbraw/zinc/71/19/18/999711918.db2.gz MJJRFTVEOIXDAZ-FCHUYYIVSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147750 999711919 /nfs/dbraw/zinc/71/19/19/999711919.db2.gz MJJRFTVEOIXDAZ-FCHUYYIVSA-N 2 2 412.553 3.783 20 0 HHADLP c1cc(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260070 999732243 /nfs/dbraw/zinc/73/22/43/999732243.db2.gz VYACXFBCGKKLGW-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260070 999732245 /nfs/dbraw/zinc/73/22/45/999732245.db2.gz VYACXFBCGKKLGW-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260070 999732248 /nfs/dbraw/zinc/73/22/48/999732248.db2.gz VYACXFBCGKKLGW-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260070 999732252 /nfs/dbraw/zinc/73/22/52/999732252.db2.gz VYACXFBCGKKLGW-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000489421145 999763880 /nfs/dbraw/zinc/76/38/80/999763880.db2.gz IIPNIOHWWWOIRM-MRXNPFEDSA-N 2 2 401.580 3.720 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000489421145 999763883 /nfs/dbraw/zinc/76/38/83/999763883.db2.gz IIPNIOHWWWOIRM-MRXNPFEDSA-N 2 2 401.580 3.720 20 0 HHADLP CC1(C)CC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC(C)(C)[NH2+]1 ZINC000480325718 999771877 /nfs/dbraw/zinc/77/18/77/999771877.db2.gz IBNMMCFXEGBYDA-HNNXBMFYSA-N 2 2 415.397 3.566 20 0 HHADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCCO2 ZINC000489573008 999795079 /nfs/dbraw/zinc/79/50/79/999795079.db2.gz PDKVOUCIEHUVCW-HXUWFJFHSA-N 2 2 400.954 3.799 20 0 HHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCCO2 ZINC000480632437 999846229 /nfs/dbraw/zinc/84/62/29/999846229.db2.gz VLSUNNGYCRIQTA-QHCPKHFHSA-N 2 2 407.558 3.695 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000489854559 999849804 /nfs/dbraw/zinc/84/98/04/999849804.db2.gz NEYDOWXGCKXPQF-WIYYLYMNSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000489854559 999849806 /nfs/dbraw/zinc/84/98/06/999849806.db2.gz NEYDOWXGCKXPQF-WIYYLYMNSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000489854558 999849863 /nfs/dbraw/zinc/84/98/63/999849863.db2.gz NEYDOWXGCKXPQF-RXVVDRJESA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000489854558 999849865 /nfs/dbraw/zinc/84/98/65/999849865.db2.gz NEYDOWXGCKXPQF-RXVVDRJESA-N 2 2 410.562 3.759 20 0 HHADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046376 999884368 /nfs/dbraw/zinc/88/43/68/999884368.db2.gz VPAGYRFYXXQAJX-NFBKMPQASA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490546584 999975403 /nfs/dbraw/zinc/97/54/03/999975403.db2.gz PPSFRROFPUIDSY-AREMUKBSSA-N 2 2 423.601 3.773 20 0 HHADLP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490546584 999975405 /nfs/dbraw/zinc/97/54/05/999975405.db2.gz PPSFRROFPUIDSY-AREMUKBSSA-N 2 2 423.601 3.773 20 0 HHADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491018202 1000034288 /nfs/dbraw/zinc/03/42/88/1000034288.db2.gz HNKDROWVHCFQAK-UZUQRXQVSA-N 2 2 417.981 3.672 20 0 HHADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000491214452 1000055881 /nfs/dbraw/zinc/05/58/81/1000055881.db2.gz XPXKQMRSOBIHDZ-GOSISDBHSA-N 2 2 403.530 3.862 20 0 HHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491886879 1000099241 /nfs/dbraw/zinc/09/92/41/1000099241.db2.gz GTRBJDRVCCYVCX-UHFFFAOYSA-N 2 2 406.534 3.702 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1)CC(C)C ZINC000491974597 1000102863 /nfs/dbraw/zinc/10/28/63/1000102863.db2.gz CCUYTGZPEUKLNH-UHFFFAOYSA-N 2 2 412.582 3.938 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1)CC(C)C ZINC000491974597 1000102866 /nfs/dbraw/zinc/10/28/66/1000102866.db2.gz CCUYTGZPEUKLNH-UHFFFAOYSA-N 2 2 412.582 3.938 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210845 1000115598 /nfs/dbraw/zinc/11/55/98/1000115598.db2.gz OQFLAPBPHBDDMG-NOZRDPDXSA-N 2 2 414.553 3.658 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210845 1000115600 /nfs/dbraw/zinc/11/56/00/1000115600.db2.gz OQFLAPBPHBDDMG-NOZRDPDXSA-N 2 2 414.553 3.658 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000492261775 1000118455 /nfs/dbraw/zinc/11/84/55/1000118455.db2.gz WGTIFFCAARPFFK-OAQYLSRUSA-N 2 2 421.354 3.918 20 0 HHADLP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000493045182 1000155419 /nfs/dbraw/zinc/15/54/19/1000155419.db2.gz BAUSMKLEXHVZOH-UHFFFAOYSA-N 2 2 411.456 3.553 20 0 HHADLP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000493045182 1000155421 /nfs/dbraw/zinc/15/54/21/1000155421.db2.gz BAUSMKLEXHVZOH-UHFFFAOYSA-N 2 2 411.456 3.553 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Br)cs1 ZINC000493820392 1000195591 /nfs/dbraw/zinc/19/55/91/1000195591.db2.gz NZDJEUXHYMLGAH-CQSZACIVSA-N 2 2 422.392 3.749 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916714 1000212320 /nfs/dbraw/zinc/21/23/20/1000212320.db2.gz MLAVKXKQGXXIDU-SJORKVTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916714 1000212327 /nfs/dbraw/zinc/21/23/27/1000212327.db2.gz MLAVKXKQGXXIDU-SJORKVTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916714 1000212334 /nfs/dbraw/zinc/21/23/34/1000212334.db2.gz MLAVKXKQGXXIDU-SJORKVTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916714 1000212339 /nfs/dbraw/zinc/21/23/39/1000212339.db2.gz MLAVKXKQGXXIDU-SJORKVTESA-N 2 2 405.612 3.713 20 0 HHADLP C[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447690 1000497371 /nfs/dbraw/zinc/49/73/71/1000497371.db2.gz BSHVQQPPUGOEEI-XZOQPEGZSA-N 2 2 421.520 3.682 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447690 1000497374 /nfs/dbraw/zinc/49/73/74/1000497374.db2.gz BSHVQQPPUGOEEI-XZOQPEGZSA-N 2 2 421.520 3.682 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000505491696 1000817106 /nfs/dbraw/zinc/81/71/06/1000817106.db2.gz RCUDPUOYCSAFAS-DEOSSOPVSA-N 2 2 400.526 3.500 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000505491696 1000817109 /nfs/dbraw/zinc/81/71/09/1000817109.db2.gz RCUDPUOYCSAFAS-DEOSSOPVSA-N 2 2 400.526 3.500 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000505732783 1000997804 /nfs/dbraw/zinc/99/78/04/1000997804.db2.gz YQNGEXMILAAHQQ-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415443 1001004376 /nfs/dbraw/zinc/00/43/76/1001004376.db2.gz QCWCHRVUVLQLCJ-OXJNMPFZSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415443 1001004382 /nfs/dbraw/zinc/00/43/82/1001004382.db2.gz QCWCHRVUVLQLCJ-OXJNMPFZSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000495592423 1001049277 /nfs/dbraw/zinc/04/92/77/1001049277.db2.gz NUTBBSQCKHOEOU-QGZVFWFLSA-N 2 2 401.938 3.852 20 0 HHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)nnn2C ZINC000506009868 1001160449 /nfs/dbraw/zinc/16/04/49/1001160449.db2.gz NPKMMOXNLOHYHI-UHFFFAOYSA-N 2 2 404.518 3.656 20 0 HHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)nnn2C ZINC000506009868 1001160455 /nfs/dbraw/zinc/16/04/55/1001160455.db2.gz NPKMMOXNLOHYHI-UHFFFAOYSA-N 2 2 404.518 3.656 20 0 HHADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cn2c1 ZINC000506016716 1001164564 /nfs/dbraw/zinc/16/45/64/1001164564.db2.gz FVPCLRGNQVBEFU-UHFFFAOYSA-N 2 2 411.377 3.966 20 0 HHADLP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 ZINC000506202087 1001275861 /nfs/dbraw/zinc/27/58/61/1001275861.db2.gz AYMTUHNUKDKRHS-SFHVURJKSA-N 2 2 408.384 3.635 20 0 HHADLP Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2C(C)C)cc1 ZINC000497442735 1001367800 /nfs/dbraw/zinc/36/78/00/1001367800.db2.gz RRCBRRBPCWSQLS-UHFFFAOYSA-N 2 2 423.605 3.593 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3cc4ccccc4o3)c3cccnc3)ccn2)CC1 ZINC000497518437 1001416192 /nfs/dbraw/zinc/41/61/92/1001416192.db2.gz DYSLNOKZPUQTJX-RUZDIDTESA-N 2 2 413.525 3.854 20 0 HHADLP Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000506775844 1001523983 /nfs/dbraw/zinc/52/39/83/1001523983.db2.gz KPUIYWQBSNVCLS-UHFFFAOYSA-N 2 2 408.590 3.904 20 0 HHADLP Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000506775844 1001523984 /nfs/dbraw/zinc/52/39/84/1001523984.db2.gz KPUIYWQBSNVCLS-UHFFFAOYSA-N 2 2 408.590 3.904 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](CCc4ccccc4)CC3)cn2c1 ZINC000497892124 1001552558 /nfs/dbraw/zinc/55/25/58/1001552558.db2.gz GHXWCPIPRLCLOV-UHFFFAOYSA-N 2 2 422.598 3.699 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507043028 1001778211 /nfs/dbraw/zinc/77/82/11/1001778211.db2.gz XURDARZHSVFYIF-GMAHTHKFSA-N 2 2 423.605 3.974 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106646 1001813307 /nfs/dbraw/zinc/81/33/07/1001813307.db2.gz XRBVTUIYVZLJLT-UXHICEINSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106646 1001813316 /nfs/dbraw/zinc/81/33/16/1001813316.db2.gz XRBVTUIYVZLJLT-UXHICEINSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+]1CCc2ccccc2C1 ZINC000507124388 1001823499 /nfs/dbraw/zinc/82/34/99/1001823499.db2.gz ZISLVYDOYUBVLJ-UGKGYDQZSA-N 2 2 421.589 3.555 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+]1CCc2ccccc2C1 ZINC000507124388 1001823508 /nfs/dbraw/zinc/82/35/08/1001823508.db2.gz ZISLVYDOYUBVLJ-UGKGYDQZSA-N 2 2 421.589 3.555 20 0 HHADLP CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498424634 1001855447 /nfs/dbraw/zinc/85/54/47/1001855447.db2.gz VFSLJLCLVCEDQE-UHFFFAOYSA-N 2 2 415.603 3.912 20 0 HHADLP CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498424634 1001855460 /nfs/dbraw/zinc/85/54/60/1001855460.db2.gz VFSLJLCLVCEDQE-UHFFFAOYSA-N 2 2 415.603 3.912 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)CC1 ZINC000507459240 1002083498 /nfs/dbraw/zinc/08/34/98/1002083498.db2.gz IWOAHYREABYFGF-UHFFFAOYSA-N 2 2 419.573 3.888 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)CC1 ZINC000507459240 1002083487 /nfs/dbraw/zinc/08/34/87/1002083487.db2.gz IWOAHYREABYFGF-UHFFFAOYSA-N 2 2 419.573 3.888 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507529983 1002138617 /nfs/dbraw/zinc/13/86/17/1002138617.db2.gz PJNOQWSREPFDNY-CJTFWIGWSA-N 2 2 412.599 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507529983 1002138611 /nfs/dbraw/zinc/13/86/11/1002138611.db2.gz PJNOQWSREPFDNY-CJTFWIGWSA-N 2 2 412.599 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507529993 1002138773 /nfs/dbraw/zinc/13/87/73/1002138773.db2.gz PJNOQWSREPFDNY-XWVZOOPGSA-N 2 2 412.599 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507529993 1002138775 /nfs/dbraw/zinc/13/87/75/1002138775.db2.gz PJNOQWSREPFDNY-XWVZOOPGSA-N 2 2 412.599 3.739 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000498775026 1002160284 /nfs/dbraw/zinc/16/02/84/1002160284.db2.gz ALAHRMULAUBWTB-UHFFFAOYSA-N 2 2 416.393 3.637 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000498775026 1002160291 /nfs/dbraw/zinc/16/02/91/1002160291.db2.gz ALAHRMULAUBWTB-UHFFFAOYSA-N 2 2 416.393 3.637 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507561129 1002166602 /nfs/dbraw/zinc/16/66/02/1002166602.db2.gz FASXQFRVJPTPMO-LJQANCHMSA-N 2 2 413.610 3.906 20 0 HHADLP Cn1ccnc1[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000507897824 1002431193 /nfs/dbraw/zinc/43/11/93/1002431193.db2.gz JMKWJIFSVXGHMV-DYESRHJHSA-N 2 2 410.953 3.810 20 0 HHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H](C(F)(F)F)C1 ZINC000499056359 1002439458 /nfs/dbraw/zinc/43/94/58/1002439458.db2.gz ZTPZTQURUDNDSC-QZTJIDSGSA-N 2 2 414.516 3.811 20 0 HHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[C@H](C(F)(F)F)C1 ZINC000499056359 1002439471 /nfs/dbraw/zinc/43/94/71/1002439471.db2.gz ZTPZTQURUDNDSC-QZTJIDSGSA-N 2 2 414.516 3.811 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(C[NH+]4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542684 /nfs/dbraw/zinc/54/26/84/1002542684.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(C[NH+]4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542695 /nfs/dbraw/zinc/54/26/95/1002542695.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)CC3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000499459481 1002848294 /nfs/dbraw/zinc/84/82/94/1002848294.db2.gz XRBCRLOSEIXAFQ-UHFFFAOYSA-N 2 2 423.586 3.646 20 0 HHADLP CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCCCn1cc[nH+]c1)C(C)C ZINC000499519112 1002908091 /nfs/dbraw/zinc/90/80/91/1002908091.db2.gz QIIIDOIRBYHRBS-UHFFFAOYSA-N 2 2 413.591 3.894 20 0 HHADLP CCN(CCCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000499657393 1003017863 /nfs/dbraw/zinc/01/78/63/1003017863.db2.gz YYMUZEJBCROSHD-UHFFFAOYSA-N 2 2 404.522 3.752 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508633069 1003082845 /nfs/dbraw/zinc/08/28/45/1003082845.db2.gz APZJLZILKINCKN-OAHLLOKOSA-N 2 2 402.336 3.913 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508633069 1003082853 /nfs/dbraw/zinc/08/28/53/1003082853.db2.gz APZJLZILKINCKN-OAHLLOKOSA-N 2 2 402.336 3.913 20 0 HHADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508632929 1003083146 /nfs/dbraw/zinc/08/31/46/1003083146.db2.gz BAYNEEBERPCPIF-TXTKFYIRSA-N 2 2 401.595 3.787 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000509108928 1003558974 /nfs/dbraw/zinc/55/89/74/1003558974.db2.gz KFFVKEJDGQLCHU-FGZHOGPDSA-N 2 2 415.965 3.905 20 0 HHADLP c1ccc(CCOC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509295596 1003690274 /nfs/dbraw/zinc/69/02/74/1003690274.db2.gz VGRXUKOOQGHROS-UHFFFAOYSA-N 2 2 407.602 3.922 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000509312842 1003700987 /nfs/dbraw/zinc/70/09/87/1003700987.db2.gz YYMGSTXBBVUPTB-NHCUHLMSSA-N 2 2 416.610 3.596 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000509312842 1003700995 /nfs/dbraw/zinc/70/09/95/1003700995.db2.gz YYMGSTXBBVUPTB-NHCUHLMSSA-N 2 2 416.610 3.596 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)OC)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348364 1003721037 /nfs/dbraw/zinc/72/10/37/1003721037.db2.gz OBWBWCFKDGGTJE-UHFFFAOYSA-N 2 2 411.550 3.581 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)OC)cn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348364 1003721043 /nfs/dbraw/zinc/72/10/43/1003721043.db2.gz OBWBWCFKDGGTJE-UHFFFAOYSA-N 2 2 411.550 3.581 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000500449600 1003725962 /nfs/dbraw/zinc/72/59/62/1003725962.db2.gz VZXRKUXYULNZQA-UHFFFAOYSA-N 2 2 423.992 3.887 20 0 HHADLP COc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1OC ZINC000500458153 1003728952 /nfs/dbraw/zinc/72/89/52/1003728952.db2.gz AWJLUPYGESKJCB-UHFFFAOYSA-N 2 2 403.954 3.659 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511825692 1003795726 /nfs/dbraw/zinc/79/57/26/1003795726.db2.gz VVCWAJRYQYECKI-RTBURBONSA-N 2 2 407.921 3.509 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511825692 1003795732 /nfs/dbraw/zinc/79/57/32/1003795732.db2.gz VVCWAJRYQYECKI-RTBURBONSA-N 2 2 407.921 3.509 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511830133 1003802100 /nfs/dbraw/zinc/80/21/00/1003802100.db2.gz YLKCIOMWVGYOAY-IBGZPJMESA-N 2 2 414.431 3.895 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511830133 1003802108 /nfs/dbraw/zinc/80/21/08/1003802108.db2.gz YLKCIOMWVGYOAY-IBGZPJMESA-N 2 2 414.431 3.895 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)c1 ZINC000509432951 1003858473 /nfs/dbraw/zinc/85/84/73/1003858473.db2.gz SFTJSBHMVXGKKU-HYBUGGRVSA-N 2 2 424.589 3.695 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000500688065 1003896172 /nfs/dbraw/zinc/89/61/72/1003896172.db2.gz ZECSESCXUTXBOO-NHCUHLMSSA-N 2 2 421.589 3.591 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000500688066 1003896361 /nfs/dbraw/zinc/89/63/61/1003896361.db2.gz ZECSESCXUTXBOO-OYRHEFFESA-N 2 2 421.589 3.591 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000500688066 1003896372 /nfs/dbraw/zinc/89/63/72/1003896372.db2.gz ZECSESCXUTXBOO-OYRHEFFESA-N 2 2 421.589 3.591 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551205 1003940145 /nfs/dbraw/zinc/94/01/45/1003940145.db2.gz DVAKLJYFGONREO-WMLDXEAASA-N 2 2 404.440 3.877 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551205 1003940147 /nfs/dbraw/zinc/94/01/47/1003940147.db2.gz DVAKLJYFGONREO-WMLDXEAASA-N 2 2 404.440 3.877 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551204 1003940288 /nfs/dbraw/zinc/94/02/88/1003940288.db2.gz DVAKLJYFGONREO-RHSMWYFYSA-N 2 2 404.440 3.877 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551204 1003940296 /nfs/dbraw/zinc/94/02/96/1003940296.db2.gz DVAKLJYFGONREO-RHSMWYFYSA-N 2 2 404.440 3.877 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000509595619 1003968870 /nfs/dbraw/zinc/96/88/70/1003968870.db2.gz IFWZZRYHXHVQDV-YQVWRLOYSA-N 2 2 404.580 3.859 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000509596985 1003970206 /nfs/dbraw/zinc/97/02/06/1003970206.db2.gz WQATUVIOSMLGMR-PXNSSMCTSA-N 2 2 413.566 3.831 20 0 HHADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)C2)cc1 ZINC000500811975 1003972833 /nfs/dbraw/zinc/97/28/33/1003972833.db2.gz RTYZHKQXQYPHEU-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)C2)cc1 ZINC000500811975 1003972844 /nfs/dbraw/zinc/97/28/44/1003972844.db2.gz RTYZHKQXQYPHEU-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512053223 1003984508 /nfs/dbraw/zinc/98/45/08/1003984508.db2.gz PKVLBAFBSYVRKQ-LEWJYISDSA-N 2 2 422.495 3.749 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715260 1004047517 /nfs/dbraw/zinc/04/75/17/1004047517.db2.gz VOGVHEUVMWHNOG-VIZSFHNOSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509772482 1004085530 /nfs/dbraw/zinc/08/55/30/1004085530.db2.gz AUXJZKOOQCIJNA-REWPJTCUSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000509772482 1004085539 /nfs/dbraw/zinc/08/55/39/1004085539.db2.gz AUXJZKOOQCIJNA-REWPJTCUSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509790195 1004098301 /nfs/dbraw/zinc/09/83/01/1004098301.db2.gz NSIVHOLEWCCWHX-UNMCSNQZSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000509790195 1004098307 /nfs/dbraw/zinc/09/83/07/1004098307.db2.gz NSIVHOLEWCCWHX-UNMCSNQZSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198961 1004099947 /nfs/dbraw/zinc/09/99/47/1004099947.db2.gz BMGPQHSIMPHITC-UNMCSNQZSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198961 1004099957 /nfs/dbraw/zinc/09/99/57/1004099957.db2.gz BMGPQHSIMPHITC-UNMCSNQZSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198961 1004099969 /nfs/dbraw/zinc/09/99/69/1004099969.db2.gz BMGPQHSIMPHITC-UNMCSNQZSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198961 1004099981 /nfs/dbraw/zinc/09/99/81/1004099981.db2.gz BMGPQHSIMPHITC-UNMCSNQZSA-N 2 2 413.606 3.678 20 0 HHADLP O=C(C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244660 1004147538 /nfs/dbraw/zinc/14/75/38/1004147538.db2.gz OSIDTIVDIRLUDE-SANMLTNESA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244660 1004147547 /nfs/dbraw/zinc/14/75/47/1004147547.db2.gz OSIDTIVDIRLUDE-SANMLTNESA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244660 1004147552 /nfs/dbraw/zinc/14/75/52/1004147552.db2.gz OSIDTIVDIRLUDE-SANMLTNESA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244660 1004147560 /nfs/dbraw/zinc/14/75/60/1004147560.db2.gz OSIDTIVDIRLUDE-SANMLTNESA-N 2 2 403.570 3.776 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)CC1 ZINC000509916754 1004206399 /nfs/dbraw/zinc/20/63/99/1004206399.db2.gz RWSWNQTWYORAIM-UHFFFAOYSA-N 2 2 422.554 3.503 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370296 1004253264 /nfs/dbraw/zinc/25/32/64/1004253264.db2.gz ONNCTLHMTZXEJI-UHFFFAOYSA-N 2 2 411.500 3.889 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370296 1004253276 /nfs/dbraw/zinc/25/32/76/1004253276.db2.gz ONNCTLHMTZXEJI-UHFFFAOYSA-N 2 2 411.500 3.889 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512392112 1004265205 /nfs/dbraw/zinc/26/52/05/1004265205.db2.gz JCKBKZLMQHPGOX-IRMYBRCSSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000512392112 1004265216 /nfs/dbraw/zinc/26/52/16/1004265216.db2.gz JCKBKZLMQHPGOX-IRMYBRCSSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510097991 1004321698 /nfs/dbraw/zinc/32/16/98/1004321698.db2.gz FGXQUMGCLRINII-NFBKMPQASA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510097991 1004321706 /nfs/dbraw/zinc/32/17/06/1004321706.db2.gz FGXQUMGCLRINII-NFBKMPQASA-N 2 2 402.542 3.962 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436327 /nfs/dbraw/zinc/43/63/27/1004436327.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 3 2 419.613 3.909 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436333 /nfs/dbraw/zinc/43/63/33/1004436333.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 3 2 419.613 3.909 20 0 HHADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000512664336 1004475508 /nfs/dbraw/zinc/47/55/08/1004475508.db2.gz ZYUUGIMXDRLGIO-JOCHJYFZSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000512664336 1004475513 /nfs/dbraw/zinc/47/55/13/1004475513.db2.gz ZYUUGIMXDRLGIO-JOCHJYFZSA-N 2 2 415.585 3.972 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000512678632 1004487157 /nfs/dbraw/zinc/48/71/57/1004487157.db2.gz RHCCQQQAHZAXRE-FGZHOGPDSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1)[NH+]1CCOCC1 ZINC000512816553 1004577009 /nfs/dbraw/zinc/57/70/09/1004577009.db2.gz VOXHLQKFPWKHHR-QKNQBKEWSA-N 2 2 414.594 3.854 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1)[NH+]1CCOCC1 ZINC000512816553 1004577017 /nfs/dbraw/zinc/57/70/17/1004577017.db2.gz VOXHLQKFPWKHHR-QKNQBKEWSA-N 2 2 414.594 3.854 20 0 HHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000513055563 1004782373 /nfs/dbraw/zinc/78/23/73/1004782373.db2.gz AYPLKUGDKHHHQD-GHTZIAJQSA-N 2 2 421.651 3.896 20 0 HHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000513065363 1004787628 /nfs/dbraw/zinc/78/76/28/1004787628.db2.gz RXCSYMBNPWKUSU-RXVVDRJESA-N 2 2 421.651 3.896 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000513092771 1004801193 /nfs/dbraw/zinc/80/11/93/1004801193.db2.gz RHMWRLNOXQSBAY-UHFFFAOYSA-N 2 2 417.601 3.868 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000510813835 1004869355 /nfs/dbraw/zinc/86/93/55/1004869355.db2.gz RXMBNLGVWKTMMO-MHJFOBGBSA-N 2 2 419.997 3.753 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000510813835 1004869361 /nfs/dbraw/zinc/86/93/61/1004869361.db2.gz RXMBNLGVWKTMMO-MHJFOBGBSA-N 2 2 419.997 3.753 20 0 HHADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513342378 1004920120 /nfs/dbraw/zinc/92/01/20/1004920120.db2.gz DULTURMQWPVRJP-UHFFFAOYSA-N 2 2 405.568 3.708 20 0 HHADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513342378 1004920124 /nfs/dbraw/zinc/92/01/24/1004920124.db2.gz DULTURMQWPVRJP-UHFFFAOYSA-N 2 2 405.568 3.708 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCc4csc(C)n4)cc3)CC2)c1 ZINC000513377424 1004933742 /nfs/dbraw/zinc/93/37/42/1004933742.db2.gz UYIZRDWOVHPOBW-UHFFFAOYSA-N 2 2 410.543 3.756 20 0 HHADLP COc1ccc(OCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510938982 1004944770 /nfs/dbraw/zinc/94/47/70/1004944770.db2.gz XKBNAHRWIZPFCL-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP COc1ccc(OCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510938982 1004944777 /nfs/dbraw/zinc/94/47/77/1004944777.db2.gz XKBNAHRWIZPFCL-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513405253 1004947684 /nfs/dbraw/zinc/94/76/84/1004947684.db2.gz FUQAQXJTYHMMPK-IRMYBRCSSA-N 2 2 406.574 3.665 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513405253 1004947686 /nfs/dbraw/zinc/94/76/86/1004947686.db2.gz FUQAQXJTYHMMPK-IRMYBRCSSA-N 2 2 406.574 3.665 20 0 HHADLP CCc1ccc([C@H]([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C(C)C)cc1 ZINC000510965809 1004957223 /nfs/dbraw/zinc/95/72/23/1004957223.db2.gz GETMBNFQQNENPF-AREMUKBSSA-N 2 2 423.601 3.684 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000513497013 1004990767 /nfs/dbraw/zinc/99/07/67/1004990767.db2.gz PEUZGLWPQZSWOD-DEOSSOPVSA-N 2 2 422.548 3.861 20 0 HHADLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC[NH+](CCO)CC1 ZINC000513531495 1005008180 /nfs/dbraw/zinc/00/81/80/1005008180.db2.gz WDLOHEJORPCNBQ-UHFFFAOYSA-N 2 2 408.521 3.567 20 0 HHADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC[NH+](CCO)CC1 ZINC000513531495 1005008187 /nfs/dbraw/zinc/00/81/87/1005008187.db2.gz WDLOHEJORPCNBQ-UHFFFAOYSA-N 2 2 408.521 3.567 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000502329150 1005015318 /nfs/dbraw/zinc/01/53/18/1005015318.db2.gz YVYHRKXARUZQQF-RZFNWQHOSA-N 2 2 416.562 3.620 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000502329150 1005015322 /nfs/dbraw/zinc/01/53/22/1005015322.db2.gz YVYHRKXARUZQQF-RZFNWQHOSA-N 2 2 416.562 3.620 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1)C1CC1 ZINC000511140435 1005041088 /nfs/dbraw/zinc/04/10/88/1005041088.db2.gz YDHNRLMGJUVEEN-UHFFFAOYSA-N 2 2 407.558 3.508 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1)C1CC1 ZINC000511140435 1005041093 /nfs/dbraw/zinc/04/10/93/1005041093.db2.gz YDHNRLMGJUVEEN-UHFFFAOYSA-N 2 2 407.558 3.508 20 0 HHADLP COc1cccc(-n2nc(C)c([C@@H]3COCC[N@@H+]3CCCCn3cc[nH+]c3C)c2C)c1 ZINC000502380313 1005047298 /nfs/dbraw/zinc/04/72/98/1005047298.db2.gz VXMWNTLCMKLKTR-QHCPKHFHSA-N 2 2 423.561 3.856 20 0 HHADLP COc1cccc(-n2nc(C)c([C@@H]3COCC[N@H+]3CCCCn3cc[nH+]c3C)c2C)c1 ZINC000502380313 1005047305 /nfs/dbraw/zinc/04/73/05/1005047305.db2.gz VXMWNTLCMKLKTR-QHCPKHFHSA-N 2 2 423.561 3.856 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC000502422028 1005069217 /nfs/dbraw/zinc/06/92/17/1005069217.db2.gz ZXGUPYKZXAKQNX-HSZRJFAPSA-N 2 2 411.977 3.915 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)CC1 ZINC000502514861 1005098215 /nfs/dbraw/zinc/09/82/15/1005098215.db2.gz XAAFXYYVIGTBDD-UHFFFAOYSA-N 2 2 413.541 3.854 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)c2C1 ZINC000502735105 1005195756 /nfs/dbraw/zinc/19/57/56/1005195756.db2.gz YYUWHIWRWTZXCH-UHFFFAOYSA-N 2 2 418.541 3.806 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)c2C1 ZINC000502735105 1005195759 /nfs/dbraw/zinc/19/57/59/1005195759.db2.gz YYUWHIWRWTZXCH-UHFFFAOYSA-N 2 2 418.541 3.806 20 0 HHADLP CCCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514059529 1005248094 /nfs/dbraw/zinc/24/80/94/1005248094.db2.gz QKGIGCVHGMEXPH-QFIPXVFZSA-N 2 2 409.578 3.970 20 0 HHADLP CCCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514059529 1005248097 /nfs/dbraw/zinc/24/80/97/1005248097.db2.gz QKGIGCVHGMEXPH-QFIPXVFZSA-N 2 2 409.578 3.970 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000514167458 1005296655 /nfs/dbraw/zinc/29/66/55/1005296655.db2.gz OCZYEUDJLUSCJS-OALUTQOASA-N 2 2 406.958 3.918 20 0 HHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@H]3CCOC[C@@H]23)cc1 ZINC000511785156 1005326770 /nfs/dbraw/zinc/32/67/70/1005326770.db2.gz JCXZWDJWPJSNRF-GSDHBNRESA-N 2 2 405.586 3.703 20 0 HHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@H]3CCOC[C@@H]23)cc1 ZINC000511785156 1005326776 /nfs/dbraw/zinc/32/67/76/1005326776.db2.gz JCXZWDJWPJSNRF-GSDHBNRESA-N 2 2 405.586 3.703 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514246842 1005332376 /nfs/dbraw/zinc/33/23/76/1005332376.db2.gz RFARVXUHLXKVLK-LJQANCHMSA-N 2 2 423.479 3.998 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514246842 1005332383 /nfs/dbraw/zinc/33/23/83/1005332383.db2.gz RFARVXUHLXKVLK-LJQANCHMSA-N 2 2 423.479 3.998 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503066194 1005335267 /nfs/dbraw/zinc/33/52/67/1005335267.db2.gz ZDQAYZMZMHEXND-HUVFLSCGSA-N 2 2 402.542 3.866 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503066194 1005335272 /nfs/dbraw/zinc/33/52/72/1005335272.db2.gz ZDQAYZMZMHEXND-HUVFLSCGSA-N 2 2 402.542 3.866 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000514320378 1005336990 /nfs/dbraw/zinc/33/69/90/1005336990.db2.gz DZXUXJQZJWBDLG-FQEVSTJZSA-N 2 2 403.958 3.714 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503072604 1005337678 /nfs/dbraw/zinc/33/76/78/1005337678.db2.gz LHKVXKBZDJYYKY-UZLBHIALSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503072604 1005337683 /nfs/dbraw/zinc/33/76/83/1005337683.db2.gz LHKVXKBZDJYYKY-UZLBHIALSA-N 2 2 420.479 3.976 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000503074501 1005339204 /nfs/dbraw/zinc/33/92/04/1005339204.db2.gz LLLLGQXWQNOFLW-GOSISDBHSA-N 2 2 404.514 3.772 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000503074501 1005339211 /nfs/dbraw/zinc/33/92/11/1005339211.db2.gz LLLLGQXWQNOFLW-GOSISDBHSA-N 2 2 404.514 3.772 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503356982 1005397155 /nfs/dbraw/zinc/39/71/55/1005397155.db2.gz UFGXHQUNUPGHQC-FQEVSTJZSA-N 2 2 422.411 3.823 20 0 HHADLP CC[NH+]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)CC1 ZINC000504374454 1005610881 /nfs/dbraw/zinc/61/08/81/1005610881.db2.gz NKJCSULWHFZRHD-QGZVFWFLSA-N 2 2 420.907 3.612 20 0 HHADLP CC[NH+]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)CC1 ZINC000504374454 1005610885 /nfs/dbraw/zinc/61/08/85/1005610885.db2.gz NKJCSULWHFZRHD-QGZVFWFLSA-N 2 2 420.907 3.612 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000531204938 1006045440 /nfs/dbraw/zinc/04/54/40/1006045440.db2.gz NKVNHRJRHDCXDB-INIZCTEOSA-N 2 2 413.591 3.934 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000531204938 1006045453 /nfs/dbraw/zinc/04/54/53/1006045453.db2.gz NKVNHRJRHDCXDB-INIZCTEOSA-N 2 2 413.591 3.934 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690980 1006082053 /nfs/dbraw/zinc/08/20/53/1006082053.db2.gz DVGLBMPFQABEQW-GOSISDBHSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690980 1006082067 /nfs/dbraw/zinc/08/20/67/1006082067.db2.gz DVGLBMPFQABEQW-GOSISDBHSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690980 1006082079 /nfs/dbraw/zinc/08/20/79/1006082079.db2.gz DVGLBMPFQABEQW-GOSISDBHSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690980 1006082089 /nfs/dbraw/zinc/08/20/89/1006082089.db2.gz DVGLBMPFQABEQW-GOSISDBHSA-N 2 2 405.995 3.780 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139909 1006120086 /nfs/dbraw/zinc/12/00/86/1006120086.db2.gz PZAKLJLOZSUFKV-SFTDATJTSA-N 2 2 400.954 3.758 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139909 1006120091 /nfs/dbraw/zinc/12/00/91/1006120091.db2.gz PZAKLJLOZSUFKV-SFTDATJTSA-N 2 2 400.954 3.758 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000534176547 1006162868 /nfs/dbraw/zinc/16/28/68/1006162868.db2.gz FVGVNYVJYXPIBC-WIYYLYMNSA-N 2 2 421.010 3.965 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193718 1006184233 /nfs/dbraw/zinc/18/42/33/1006184233.db2.gz ARNMYYYOHGGJOP-VQTJNVASSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193718 1006184237 /nfs/dbraw/zinc/18/42/37/1006184237.db2.gz ARNMYYYOHGGJOP-VQTJNVASSA-N 2 2 418.582 3.505 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)n2)C1 ZINC000534232121 1006232543 /nfs/dbraw/zinc/23/25/43/1006232543.db2.gz VLHWGJWIPZOJMK-HNNXBMFYSA-N 2 2 419.570 3.897 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)n2)C1 ZINC000534232121 1006232553 /nfs/dbraw/zinc/23/25/53/1006232553.db2.gz VLHWGJWIPZOJMK-HNNXBMFYSA-N 2 2 419.570 3.897 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534310681 1006291523 /nfs/dbraw/zinc/29/15/23/1006291523.db2.gz UHTUSPLBGXSURC-VXKWHMMOSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534310681 1006291533 /nfs/dbraw/zinc/29/15/33/1006291533.db2.gz UHTUSPLBGXSURC-VXKWHMMOSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359505 1006323551 /nfs/dbraw/zinc/32/35/51/1006323551.db2.gz JXNXZJVLIJZCRH-DHIUTWEWSA-N 2 2 401.595 3.641 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359505 1006323563 /nfs/dbraw/zinc/32/35/63/1006323563.db2.gz JXNXZJVLIJZCRH-DHIUTWEWSA-N 2 2 401.595 3.641 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360698 1006324267 /nfs/dbraw/zinc/32/42/67/1006324267.db2.gz PHFFSMDPUSLQEI-PKTZIBPZSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360698 1006324272 /nfs/dbraw/zinc/32/42/72/1006324272.db2.gz PHFFSMDPUSLQEI-PKTZIBPZSA-N 2 2 413.606 3.754 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360428 1006325076 /nfs/dbraw/zinc/32/50/76/1006325076.db2.gz MQSSDRSAIXLJRR-VQTJNVASSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360428 1006325085 /nfs/dbraw/zinc/32/50/85/1006325085.db2.gz MQSSDRSAIXLJRR-VQTJNVASSA-N 2 2 415.607 3.547 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376122 1006344542 /nfs/dbraw/zinc/34/45/42/1006344542.db2.gz BUJWEWZTABCTAS-DNQXCXABSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376122 1006344553 /nfs/dbraw/zinc/34/45/53/1006344553.db2.gz BUJWEWZTABCTAS-DNQXCXABSA-N 2 2 414.638 3.825 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382751 1006354738 /nfs/dbraw/zinc/35/47/38/1006354738.db2.gz BVAVJKBMICSQTF-YSZBQJHXSA-N 2 2 418.601 3.735 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382751 1006354745 /nfs/dbraw/zinc/35/47/45/1006354745.db2.gz BVAVJKBMICSQTF-YSZBQJHXSA-N 2 2 418.601 3.735 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384536 1006356448 /nfs/dbraw/zinc/35/64/48/1006356448.db2.gz QGNWLKKSCNYTCM-TUACAJSNSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384536 1006356454 /nfs/dbraw/zinc/35/64/54/1006356454.db2.gz QGNWLKKSCNYTCM-TUACAJSNSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386444 1006359724 /nfs/dbraw/zinc/35/97/24/1006359724.db2.gz ZTJZNIXROMXWCZ-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386444 1006359737 /nfs/dbraw/zinc/35/97/37/1006359737.db2.gz ZTJZNIXROMXWCZ-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000532015468 1006576984 /nfs/dbraw/zinc/57/69/84/1006576984.db2.gz MTPHISISFDMYQO-HZPDHXFCSA-N 2 2 419.310 3.518 20 0 HHADLP FC(F)(F)c1cc(Br)ccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000538351176 1006617832 /nfs/dbraw/zinc/61/78/32/1006617832.db2.gz YOYSELAXHWZBCJ-UHFFFAOYSA-N 2 2 417.273 3.877 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(OC3CCC3)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000534671024 1006649150 /nfs/dbraw/zinc/64/91/50/1006649150.db2.gz CTQXLZWTUOEZNQ-UHFFFAOYSA-N 2 2 419.997 3.951 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488034 1006756105 /nfs/dbraw/zinc/75/61/05/1006756105.db2.gz LOAFMOCCTQEWMJ-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488034 1006756117 /nfs/dbraw/zinc/75/61/17/1006756117.db2.gz LOAFMOCCTQEWMJ-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488034 1006756129 /nfs/dbraw/zinc/75/61/29/1006756129.db2.gz LOAFMOCCTQEWMJ-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488034 1006756136 /nfs/dbraw/zinc/75/61/36/1006756136.db2.gz LOAFMOCCTQEWMJ-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791900 1006794719 /nfs/dbraw/zinc/79/47/19/1006794719.db2.gz JTKBZWNYPPLSHW-IPMKNSEASA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791900 1006794728 /nfs/dbraw/zinc/79/47/28/1006794728.db2.gz JTKBZWNYPPLSHW-IPMKNSEASA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791899 1006794868 /nfs/dbraw/zinc/79/48/68/1006794868.db2.gz JTKBZWNYPPLSHW-GUDVDZBRSA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791899 1006794881 /nfs/dbraw/zinc/79/48/81/1006794881.db2.gz JTKBZWNYPPLSHW-GUDVDZBRSA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828376 1006840009 /nfs/dbraw/zinc/84/00/09/1006840009.db2.gz ZOIYAVDVEXSHDO-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828376 1006840017 /nfs/dbraw/zinc/84/00/17/1006840017.db2.gz ZOIYAVDVEXSHDO-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000532486953 1006927786 /nfs/dbraw/zinc/92/77/86/1006927786.db2.gz ZBMIEBCRYFVVEB-IBGZPJMESA-N 2 2 411.546 3.549 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000532486953 1006927794 /nfs/dbraw/zinc/92/77/94/1006927794.db2.gz ZBMIEBCRYFVVEB-IBGZPJMESA-N 2 2 411.546 3.549 20 0 HHADLP CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720690 1006994865 /nfs/dbraw/zinc/99/48/65/1006994865.db2.gz NYVZXNHZAJDQER-IBGZPJMESA-N 2 2 411.546 3.760 20 0 HHADLP CC[N@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720690 1006994879 /nfs/dbraw/zinc/99/48/79/1006994879.db2.gz NYVZXNHZAJDQER-IBGZPJMESA-N 2 2 411.546 3.760 20 0 HHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965427 1007017407 /nfs/dbraw/zinc/01/74/07/1007017407.db2.gz VBRBDLBAJBLKFG-HXUWFJFHSA-N 2 2 402.546 3.711 20 0 HHADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965427 1007017414 /nfs/dbraw/zinc/01/74/14/1007017414.db2.gz VBRBDLBAJBLKFG-HXUWFJFHSA-N 2 2 402.546 3.711 20 0 HHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532628590 1007050817 /nfs/dbraw/zinc/05/08/17/1007050817.db2.gz JPORYHMPJAVEJS-VXKWHMMOSA-N 2 2 415.965 3.781 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000532645379 1007064498 /nfs/dbraw/zinc/06/44/98/1007064498.db2.gz VVQJPVVZZFCDQX-IYBDPMFKSA-N 2 2 418.969 3.700 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000532645379 1007064509 /nfs/dbraw/zinc/06/45/09/1007064509.db2.gz VVQJPVVZZFCDQX-IYBDPMFKSA-N 2 2 418.969 3.700 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000538807912 1007086650 /nfs/dbraw/zinc/08/66/50/1007086650.db2.gz JKWQJEWXWNKWJP-LJQANCHMSA-N 2 2 400.611 3.509 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000538807912 1007086666 /nfs/dbraw/zinc/08/66/66/1007086666.db2.gz JKWQJEWXWNKWJP-LJQANCHMSA-N 2 2 400.611 3.509 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093141 1007107162 /nfs/dbraw/zinc/10/71/62/1007107162.db2.gz BWEQFVOEPNMRKA-DHIUTWEWSA-N 2 2 400.611 3.593 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093141 1007107167 /nfs/dbraw/zinc/10/71/67/1007107167.db2.gz BWEQFVOEPNMRKA-DHIUTWEWSA-N 2 2 400.611 3.593 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095904 1007113316 /nfs/dbraw/zinc/11/33/16/1007113316.db2.gz LKUCGVWEETXCAP-VXKWHMMOSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095904 1007113323 /nfs/dbraw/zinc/11/33/23/1007113323.db2.gz LKUCGVWEETXCAP-VXKWHMMOSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)N[C@H]1CCCc2occc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535112497 1007138759 /nfs/dbraw/zinc/13/87/59/1007138759.db2.gz QIKHPJUTQWSXJM-HBMCJLEFSA-N 2 2 402.583 3.636 20 0 HHADLP CN(C(=O)N[C@H]1CCCc2occc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535112497 1007138765 /nfs/dbraw/zinc/13/87/65/1007138765.db2.gz QIKHPJUTQWSXJM-HBMCJLEFSA-N 2 2 402.583 3.636 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000538879366 1007159027 /nfs/dbraw/zinc/15/90/27/1007159027.db2.gz QJHBQGNAXPIQMM-OAQYLSRUSA-N 2 2 412.965 3.679 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C[C@H](C)O1 ZINC000516639706 1007207053 /nfs/dbraw/zinc/20/70/53/1007207053.db2.gz QDJOAQBEJSUSPB-IRXDYDNUSA-N 2 2 416.484 3.675 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848405 1007235174 /nfs/dbraw/zinc/23/51/74/1007235174.db2.gz DKLRVIJWMPYFIM-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848405 1007235183 /nfs/dbraw/zinc/23/51/83/1007235183.db2.gz DKLRVIJWMPYFIM-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069982 1007362769 /nfs/dbraw/zinc/36/27/69/1007362769.db2.gz BXVYWVSKONDJJT-UZLBHIALSA-N 2 2 401.938 3.549 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069982 1007362781 /nfs/dbraw/zinc/36/27/81/1007362781.db2.gz BXVYWVSKONDJJT-UZLBHIALSA-N 2 2 401.938 3.549 20 0 HHADLP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539078348 1007370041 /nfs/dbraw/zinc/37/00/41/1007370041.db2.gz OKLLBMLMXLJHBO-VJBWXMMDSA-N 2 2 421.589 3.598 20 0 HHADLP CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000539083090 1007372378 /nfs/dbraw/zinc/37/23/78/1007372378.db2.gz VXJPWVBKPOKPMA-RBUKOAKNSA-N 2 2 415.607 3.721 20 0 HHADLP C[C@@H](OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000517046639 1007380832 /nfs/dbraw/zinc/38/08/32/1007380832.db2.gz FKTVHZJMIRAVBL-BEFAXECRSA-N 2 2 403.885 3.893 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539116302 1007403150 /nfs/dbraw/zinc/40/31/50/1007403150.db2.gz VQKMMGGQUJNQJU-UXHICEINSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539116302 1007403155 /nfs/dbraw/zinc/40/31/55/1007403155.db2.gz VQKMMGGQUJNQJU-UXHICEINSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539116301 1007403231 /nfs/dbraw/zinc/40/32/31/1007403231.db2.gz VQKMMGGQUJNQJU-PMACEKPBSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539116301 1007403236 /nfs/dbraw/zinc/40/32/36/1007403236.db2.gz VQKMMGGQUJNQJU-PMACEKPBSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+](CC(=O)Nc1nc(C)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072991 1007435760 /nfs/dbraw/zinc/43/57/60/1007435760.db2.gz KJCNGAGLUOGIAD-UHFFFAOYSA-N 2 2 416.595 3.603 20 0 HHADLP CC[N@@H+](CC(=O)Nc1nc(C)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072991 1007435765 /nfs/dbraw/zinc/43/57/65/1007435765.db2.gz KJCNGAGLUOGIAD-UHFFFAOYSA-N 2 2 416.595 3.603 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CCC2 ZINC000533089355 1007448510 /nfs/dbraw/zinc/44/85/10/1007448510.db2.gz MXSRKKODXOLURO-FHWLQOOXSA-N 2 2 406.530 3.656 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169204 1007508773 /nfs/dbraw/zinc/50/87/73/1007508773.db2.gz FBTOCKNPINEVDH-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169204 1007508781 /nfs/dbraw/zinc/50/87/81/1007508781.db2.gz FBTOCKNPINEVDH-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000517227120 1007512005 /nfs/dbraw/zinc/51/20/05/1007512005.db2.gz AHTFXTYUCXEQNA-VXKWHMMOSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000517227120 1007512017 /nfs/dbraw/zinc/51/20/17/1007512017.db2.gz AHTFXTYUCXEQNA-VXKWHMMOSA-N 2 2 414.594 3.813 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226232 1007512137 /nfs/dbraw/zinc/51/21/37/1007512137.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226232 1007512151 /nfs/dbraw/zinc/51/21/51/1007512151.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226232 1007512156 /nfs/dbraw/zinc/51/21/56/1007512156.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226232 1007512166 /nfs/dbraw/zinc/51/21/66/1007512166.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 3 2 406.618 3.790 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173183 1007515400 /nfs/dbraw/zinc/51/54/00/1007515400.db2.gz QSZNGOJUYXHCJP-UXHICEINSA-N 2 2 410.965 3.788 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173183 1007515405 /nfs/dbraw/zinc/51/54/05/1007515405.db2.gz QSZNGOJUYXHCJP-UXHICEINSA-N 2 2 410.965 3.788 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502969 1007559316 /nfs/dbraw/zinc/55/93/16/1007559316.db2.gz AXQIQJRESZYWIC-ICSRJNTNSA-N 2 2 418.994 3.504 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502969 1007559323 /nfs/dbraw/zinc/55/93/23/1007559323.db2.gz AXQIQJRESZYWIC-ICSRJNTNSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502969 1007559340 /nfs/dbraw/zinc/55/93/40/1007559340.db2.gz AXQIQJRESZYWIC-ICSRJNTNSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502969 1007559348 /nfs/dbraw/zinc/55/93/48/1007559348.db2.gz AXQIQJRESZYWIC-ICSRJNTNSA-N 2 2 418.994 3.504 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000539313941 1007611846 /nfs/dbraw/zinc/61/18/46/1007611846.db2.gz RPEIXWOWZJUFGC-IRXDYDNUSA-N 2 2 423.536 3.766 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000539359978 1007662463 /nfs/dbraw/zinc/66/24/63/1007662463.db2.gz VSPPSTGUQZJOFZ-OAHLLOKOSA-N 2 2 411.493 3.762 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535656108 1007669316 /nfs/dbraw/zinc/66/93/16/1007669316.db2.gz RMNGIMWNKNUSRE-UXHICEINSA-N 2 2 416.614 3.575 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535656108 1007669323 /nfs/dbraw/zinc/66/93/23/1007669323.db2.gz RMNGIMWNKNUSRE-UXHICEINSA-N 2 2 416.614 3.575 20 0 HHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000533407873 1007717473 /nfs/dbraw/zinc/71/74/73/1007717473.db2.gz HHMIQPJNFVGANG-UHFFFAOYSA-N 2 2 404.555 3.940 20 0 HHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000533407873 1007717478 /nfs/dbraw/zinc/71/74/78/1007717478.db2.gz HHMIQPJNFVGANG-UHFFFAOYSA-N 2 2 404.555 3.940 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1F ZINC000535703713 1007742115 /nfs/dbraw/zinc/74/21/15/1007742115.db2.gz BKOMVWAICPXXCW-FQEVSTJZSA-N 2 2 406.933 3.643 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539456213 1007768078 /nfs/dbraw/zinc/76/80/78/1007768078.db2.gz JXTNWERUFMSVDU-VXKWHMMOSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539456213 1007768084 /nfs/dbraw/zinc/76/80/84/1007768084.db2.gz JXTNWERUFMSVDU-VXKWHMMOSA-N 2 2 414.594 3.813 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461498 1007772268 /nfs/dbraw/zinc/77/22/68/1007772268.db2.gz VFBLGXSQEOFPJA-WMQCIHAUSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461498 1007772279 /nfs/dbraw/zinc/77/22/79/1007772279.db2.gz VFBLGXSQEOFPJA-WMQCIHAUSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495123 1007806044 /nfs/dbraw/zinc/80/60/44/1007806044.db2.gz FKEFQCAIQKNDFP-QZTJIDSGSA-N 2 2 414.363 3.572 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495123 1007806054 /nfs/dbraw/zinc/80/60/54/1007806054.db2.gz FKEFQCAIQKNDFP-QZTJIDSGSA-N 2 2 414.363 3.572 20 0 HHADLP CC[N@H+](CC(=O)NC1CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533373 1007856433 /nfs/dbraw/zinc/85/64/33/1007856433.db2.gz NYDYVWIRTAZORB-UHFFFAOYSA-N 2 2 415.626 3.894 20 0 HHADLP CC[N@@H+](CC(=O)NC1CCC(C)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533373 1007856465 /nfs/dbraw/zinc/85/64/65/1007856465.db2.gz NYDYVWIRTAZORB-UHFFFAOYSA-N 2 2 415.626 3.894 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850894 1007864669 /nfs/dbraw/zinc/86/46/69/1007864669.db2.gz VCDKLOMQCXENNZ-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850894 1007864674 /nfs/dbraw/zinc/86/46/74/1007864674.db2.gz VCDKLOMQCXENNZ-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535854218 1007868169 /nfs/dbraw/zinc/86/81/69/1007868169.db2.gz FOSABIKICLFXET-SFTDATJTSA-N 2 2 422.013 3.687 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535854218 1007868182 /nfs/dbraw/zinc/86/81/82/1007868182.db2.gz FOSABIKICLFXET-SFTDATJTSA-N 2 2 422.013 3.687 20 0 HHADLP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000533563388 1007875095 /nfs/dbraw/zinc/87/50/95/1007875095.db2.gz PCPZZFMLVFACOI-RUZDIDTESA-N 2 2 422.573 3.729 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567422 1007883222 /nfs/dbraw/zinc/88/32/22/1007883222.db2.gz BLDFELFEWDLFML-PZJWPPBQSA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567422 1007883225 /nfs/dbraw/zinc/88/32/25/1007883225.db2.gz BLDFELFEWDLFML-PZJWPPBQSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567422 1007883230 /nfs/dbraw/zinc/88/32/30/1007883230.db2.gz BLDFELFEWDLFML-PZJWPPBQSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567422 1007883251 /nfs/dbraw/zinc/88/32/51/1007883251.db2.gz BLDFELFEWDLFML-PZJWPPBQSA-N 2 2 423.523 3.860 20 0 HHADLP CN(C(=O)NC[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878741 1007898695 /nfs/dbraw/zinc/89/86/95/1007898695.db2.gz ZDTUEYHHNQXZOL-ZTCOLXNVSA-N 2 2 412.622 3.695 20 0 HHADLP CN(C(=O)NC[C@@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878741 1007898707 /nfs/dbraw/zinc/89/87/07/1007898707.db2.gz ZDTUEYHHNQXZOL-ZTCOLXNVSA-N 2 2 412.622 3.695 20 0 HHADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000533639423 1007946880 /nfs/dbraw/zinc/94/68/80/1007946880.db2.gz DEFILPHURICNIU-RDGATRHJSA-N 2 2 410.558 3.655 20 0 HHADLP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000517761424 1007948799 /nfs/dbraw/zinc/94/87/99/1007948799.db2.gz LBKGKRNTQOKCFM-UHFFFAOYSA-N 2 2 406.324 3.684 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646518 1007954415 /nfs/dbraw/zinc/95/44/15/1007954415.db2.gz BBXMPSYTLSRBAG-BJKOFHAPSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646518 1007954428 /nfs/dbraw/zinc/95/44/28/1007954428.db2.gz BBXMPSYTLSRBAG-BJKOFHAPSA-N 2 2 415.622 3.812 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646933 1007955644 /nfs/dbraw/zinc/95/56/44/1007955644.db2.gz HSASVAKFMXUZOQ-IVAOSVALSA-N 2 2 403.636 3.956 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646933 1007955648 /nfs/dbraw/zinc/95/56/48/1007955648.db2.gz HSASVAKFMXUZOQ-IVAOSVALSA-N 2 2 403.636 3.956 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646739 1007956024 /nfs/dbraw/zinc/95/60/24/1007956024.db2.gz GJRZMBJCCQDSGO-YADHBBJMSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646739 1007956036 /nfs/dbraw/zinc/95/60/36/1007956036.db2.gz GJRZMBJCCQDSGO-YADHBBJMSA-N 2 2 403.636 3.964 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647294 1007957144 /nfs/dbraw/zinc/95/71/44/1007957144.db2.gz FFNCUDOPTPDHTD-HUVFLSCGSA-N 2 2 415.622 3.887 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647294 1007957148 /nfs/dbraw/zinc/95/71/48/1007957148.db2.gz FFNCUDOPTPDHTD-HUVFLSCGSA-N 2 2 415.622 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648475 1007957932 /nfs/dbraw/zinc/95/79/32/1007957932.db2.gz OIMQGGJFLQPKCH-RPWUZVMVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648475 1007957938 /nfs/dbraw/zinc/95/79/38/1007957938.db2.gz OIMQGGJFLQPKCH-RPWUZVMVSA-N 2 2 408.590 3.887 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650258 1007962971 /nfs/dbraw/zinc/96/29/71/1007962971.db2.gz VFJZHGLNPVIUCJ-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650258 1007962983 /nfs/dbraw/zinc/96/29/83/1007962983.db2.gz VFJZHGLNPVIUCJ-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000539655670 1007972374 /nfs/dbraw/zinc/97/23/74/1007972374.db2.gz TVJMLHXQGBJYGL-RUZDIDTESA-N 2 2 405.586 3.911 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665974 1007981015 /nfs/dbraw/zinc/98/10/15/1007981015.db2.gz XDDPMRYMWHRTES-VXKWHMMOSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665974 1007981029 /nfs/dbraw/zinc/98/10/29/1007981029.db2.gz XDDPMRYMWHRTES-VXKWHMMOSA-N 2 2 412.578 3.911 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672176 1007990845 /nfs/dbraw/zinc/99/08/45/1007990845.db2.gz HMOXLOOQJOHAPU-SLFFLAALSA-N 2 2 421.655 3.881 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672176 1007990851 /nfs/dbraw/zinc/99/08/51/1007990851.db2.gz HMOXLOOQJOHAPU-SLFFLAALSA-N 2 2 421.655 3.881 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000535987836 1008027198 /nfs/dbraw/zinc/02/71/98/1008027198.db2.gz DMIJHGBKIRJQQT-QWHCGFSZSA-N 2 2 415.426 3.606 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000536017889 1008057223 /nfs/dbraw/zinc/05/72/23/1008057223.db2.gz MJRQMHLJVYUZDZ-SFHVURJKSA-N 2 2 400.592 3.705 20 0 HHADLP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785984 1008108656 /nfs/dbraw/zinc/10/86/56/1008108656.db2.gz AWHBKTUUQKZDGJ-RDJZCZTQSA-N 2 2 423.424 3.935 20 0 HHADLP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785984 1008108658 /nfs/dbraw/zinc/10/86/58/1008108658.db2.gz AWHBKTUUQKZDGJ-RDJZCZTQSA-N 2 2 423.424 3.935 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000539823679 1008117152 /nfs/dbraw/zinc/11/71/52/1008117152.db2.gz JODLSBBSJKELDS-KRWDZBQOSA-N 2 2 400.792 3.703 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000539823679 1008117156 /nfs/dbraw/zinc/11/71/56/1008117156.db2.gz JODLSBBSJKELDS-KRWDZBQOSA-N 2 2 400.792 3.703 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000539832532 1008125846 /nfs/dbraw/zinc/12/58/46/1008125846.db2.gz ZMWQUAUTUAIJHT-UHFFFAOYSA-N 2 2 423.479 3.690 20 0 HHADLP COc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000518288650 1008241053 /nfs/dbraw/zinc/24/10/53/1008241053.db2.gz PIVXPRUWNSQUKH-LLVKDONJSA-N 2 2 417.145 3.843 20 0 HHADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000518351759 1008272643 /nfs/dbraw/zinc/27/26/43/1008272643.db2.gz QFQJMIVHHUMUHO-LJQANCHMSA-N 2 2 411.377 3.884 20 0 HHADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000518428059 1008300979 /nfs/dbraw/zinc/30/09/79/1008300979.db2.gz LRUFUHWYXIUCDJ-JOCHJYFZSA-N 2 2 413.587 3.746 20 0 HHADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000518443035 1008308752 /nfs/dbraw/zinc/30/87/52/1008308752.db2.gz DCVLJTXNKPKUHF-LJQANCHMSA-N 2 2 410.537 3.571 20 0 HHADLP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000540151697 1008313147 /nfs/dbraw/zinc/31/31/47/1008313147.db2.gz PAHQDNPGNGBCMQ-MOPGFXCFSA-N 2 2 413.562 3.992 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192571 1008329761 /nfs/dbraw/zinc/32/97/61/1008329761.db2.gz NGLYHSBXXBZYNO-GBXCKJPGSA-N 2 2 406.574 3.708 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192571 1008329765 /nfs/dbraw/zinc/32/97/65/1008329765.db2.gz NGLYHSBXXBZYNO-GBXCKJPGSA-N 2 2 406.574 3.708 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000540317209 1008377129 /nfs/dbraw/zinc/37/71/29/1008377129.db2.gz IHIYSKLADOCVMN-WTOYTKOKSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000540317209 1008377133 /nfs/dbraw/zinc/37/71/33/1008377133.db2.gz IHIYSKLADOCVMN-WTOYTKOKSA-N 2 2 415.375 3.909 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3cccs3)C(C)C)CC2)cc1 ZINC000540513860 1008462948 /nfs/dbraw/zinc/46/29/48/1008462948.db2.gz OLSJUULXJXRXRC-UHFFFAOYSA-N 2 2 415.603 3.702 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3cccs3)C(C)C)CC2)cc1 ZINC000540513860 1008462953 /nfs/dbraw/zinc/46/29/53/1008462953.db2.gz OLSJUULXJXRXRC-UHFFFAOYSA-N 2 2 415.603 3.702 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3cccs3)C(C)C)CC2)cc1 ZINC000540513860 1008462955 /nfs/dbraw/zinc/46/29/55/1008462955.db2.gz OLSJUULXJXRXRC-UHFFFAOYSA-N 2 2 415.603 3.702 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3cccs3)C(C)C)CC2)cc1 ZINC000540513860 1008462958 /nfs/dbraw/zinc/46/29/58/1008462958.db2.gz OLSJUULXJXRXRC-UHFFFAOYSA-N 2 2 415.603 3.702 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540525774 1008467450 /nfs/dbraw/zinc/46/74/50/1008467450.db2.gz KMPFYETZKVHHLW-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540525774 1008467454 /nfs/dbraw/zinc/46/74/54/1008467454.db2.gz KMPFYETZKVHHLW-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549954 1008477140 /nfs/dbraw/zinc/47/71/40/1008477140.db2.gz QOWFGRZRMPBIJU-LEWJYISDSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549954 1008477142 /nfs/dbraw/zinc/47/71/42/1008477142.db2.gz QOWFGRZRMPBIJU-LEWJYISDSA-N 2 2 418.630 3.730 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000519196915 1008598542 /nfs/dbraw/zinc/59/85/42/1008598542.db2.gz VUSSASFVLFFTQB-IBGZPJMESA-N 2 2 400.567 3.562 20 0 HHADLP CCc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108514 1008680988 /nfs/dbraw/zinc/68/09/88/1008680988.db2.gz WDQLILPGYGRBKA-GOTSBHOMSA-N 2 2 417.642 3.511 20 0 HHADLP CCc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108514 1008680994 /nfs/dbraw/zinc/68/09/94/1008680994.db2.gz WDQLILPGYGRBKA-GOTSBHOMSA-N 2 2 417.642 3.511 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543129205 1008703119 /nfs/dbraw/zinc/70/31/19/1008703119.db2.gz IRWNGTUYUCLOQF-KDURUIRLSA-N 2 2 408.428 3.872 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543129205 1008703135 /nfs/dbraw/zinc/70/31/35/1008703135.db2.gz IRWNGTUYUCLOQF-KDURUIRLSA-N 2 2 408.428 3.872 20 0 HHADLP FC(F)(F)c1cccc([C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C2CC2)c1 ZINC000549228557 1008798043 /nfs/dbraw/zinc/79/80/43/1008798043.db2.gz PFXOIZIZIHBJES-OAQYLSRUSA-N 2 2 411.512 3.543 20 0 HHADLP Cc1cn(C2CCCCC2)nc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000543328253 1008911417 /nfs/dbraw/zinc/91/14/17/1008911417.db2.gz FBOCWRZTHRWKRR-UHFFFAOYSA-N 2 2 416.614 3.769 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000545916640 1008994708 /nfs/dbraw/zinc/99/47/08/1008994708.db2.gz JCZLDVOTQNPJBM-AWEZNQCLSA-N 2 2 415.347 3.526 20 0 HHADLP COc1ccccc1C[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000549445904 1009036661 /nfs/dbraw/zinc/03/66/61/1009036661.db2.gz HYWNIWDPTPBEGI-UHFFFAOYSA-N 2 2 421.585 3.749 20 0 HHADLP COc1ccccc1C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000549445904 1009036676 /nfs/dbraw/zinc/03/66/76/1009036676.db2.gz HYWNIWDPTPBEGI-UHFFFAOYSA-N 2 2 421.585 3.749 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042565 1009066253 /nfs/dbraw/zinc/06/62/53/1009066253.db2.gz PCFVECLHXBQXIH-AHRSYUTCSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042565 1009066271 /nfs/dbraw/zinc/06/62/71/1009066271.db2.gz PCFVECLHXBQXIH-AHRSYUTCSA-N 2 2 421.655 3.534 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920826 1009077984 /nfs/dbraw/zinc/07/79/84/1009077984.db2.gz YCPPDSRSOKFPTE-UEVCKROQSA-N 2 2 409.599 3.728 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920826 1009077999 /nfs/dbraw/zinc/07/79/99/1009077999.db2.gz YCPPDSRSOKFPTE-UEVCKROQSA-N 2 2 409.599 3.728 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1c(C)noc1C ZINC000543508795 1009097516 /nfs/dbraw/zinc/09/75/16/1009097516.db2.gz XVXWQPYXOOYKSY-PMACEKPBSA-N 2 2 418.969 3.939 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546167218 1009198754 /nfs/dbraw/zinc/19/87/54/1009198754.db2.gz KAJLYCNPICOBCT-LPHOPBHVSA-N 2 2 423.399 3.632 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546167218 1009198768 /nfs/dbraw/zinc/19/87/68/1009198768.db2.gz KAJLYCNPICOBCT-LPHOPBHVSA-N 2 2 423.399 3.632 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549588769 1009215860 /nfs/dbraw/zinc/21/58/60/1009215860.db2.gz JOKHRBMUNHJDOV-NRFANRHFSA-N 2 2 409.578 3.662 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549588769 1009215872 /nfs/dbraw/zinc/21/58/72/1009215872.db2.gz JOKHRBMUNHJDOV-NRFANRHFSA-N 2 2 409.578 3.662 20 0 HHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1OC ZINC000520172654 1009318613 /nfs/dbraw/zinc/31/86/13/1009318613.db2.gz SPIOYTFOBNPXOZ-FQEVSTJZSA-N 2 2 410.562 3.602 20 0 HHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccccc1OC ZINC000520172654 1009318630 /nfs/dbraw/zinc/31/86/30/1009318630.db2.gz SPIOYTFOBNPXOZ-FQEVSTJZSA-N 2 2 410.562 3.602 20 0 HHADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1OC ZINC000520172655 1009319452 /nfs/dbraw/zinc/31/94/52/1009319452.db2.gz SPIOYTFOBNPXOZ-HXUWFJFHSA-N 2 2 410.562 3.602 20 0 HHADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccccc1OC ZINC000520172655 1009319467 /nfs/dbraw/zinc/31/94/67/1009319467.db2.gz SPIOYTFOBNPXOZ-HXUWFJFHSA-N 2 2 410.562 3.602 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176748 1009321100 /nfs/dbraw/zinc/32/11/00/1009321100.db2.gz GJKRIWSCTIZHIR-XZOQPEGZSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176748 1009321116 /nfs/dbraw/zinc/32/11/16/1009321116.db2.gz GJKRIWSCTIZHIR-XZOQPEGZSA-N 2 2 409.599 3.557 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714258 1009343849 /nfs/dbraw/zinc/34/38/49/1009343849.db2.gz AHPJASYTQLVZIM-SJLPKXTDSA-N 2 2 405.612 3.571 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714258 1009343864 /nfs/dbraw/zinc/34/38/64/1009343864.db2.gz AHPJASYTQLVZIM-SJLPKXTDSA-N 2 2 405.612 3.571 20 0 HHADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1 ZINC000520312532 1009438690 /nfs/dbraw/zinc/43/86/90/1009438690.db2.gz BKZFPLIXENVNTL-MRXNPFEDSA-N 2 2 403.979 3.664 20 0 HHADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1 ZINC000520312532 1009438704 /nfs/dbraw/zinc/43/87/04/1009438704.db2.gz BKZFPLIXENVNTL-MRXNPFEDSA-N 2 2 403.979 3.664 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543903135 1009486050 /nfs/dbraw/zinc/48/60/50/1009486050.db2.gz AJCFJRBEIPFILY-LKUPVBHCSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543903135 1009486057 /nfs/dbraw/zinc/48/60/57/1009486057.db2.gz AJCFJRBEIPFILY-LKUPVBHCSA-N 2 2 424.511 3.509 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549945143 1009554262 /nfs/dbraw/zinc/55/42/62/1009554262.db2.gz WMZGIHGDPRVRGS-FGZHOGPDSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549945143 1009554273 /nfs/dbraw/zinc/55/42/73/1009554273.db2.gz WMZGIHGDPRVRGS-FGZHOGPDSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544037660 1009638745 /nfs/dbraw/zinc/63/87/45/1009638745.db2.gz RLXKZSMKPPQFPS-JWQCQUIFSA-N 2 2 422.617 3.815 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544037660 1009638753 /nfs/dbraw/zinc/63/87/53/1009638753.db2.gz RLXKZSMKPPQFPS-JWQCQUIFSA-N 2 2 422.617 3.815 20 0 HHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520605459 1009682229 /nfs/dbraw/zinc/68/22/29/1009682229.db2.gz ZCMFAIDRYGUJMY-IYWMVGAKSA-N 2 2 402.583 3.568 20 0 HHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520605459 1009682237 /nfs/dbraw/zinc/68/22/37/1009682237.db2.gz ZCMFAIDRYGUJMY-IYWMVGAKSA-N 2 2 402.583 3.568 20 0 HHADLP Clc1cccc(N2CCOCC2)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000550098169 1009700656 /nfs/dbraw/zinc/70/06/56/1009700656.db2.gz ZPIYPXOWGFGYSL-UHFFFAOYSA-N 2 2 413.993 3.973 20 0 HHADLP O=C1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1c1cccc(C(F)(F)F)c1 ZINC000544109498 1009719689 /nfs/dbraw/zinc/71/96/89/1009719689.db2.gz UPZSCXWIWFONOM-AWEZNQCLSA-N 2 2 406.433 3.848 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000520675607 1009747422 /nfs/dbraw/zinc/74/74/22/1009747422.db2.gz WUJADECAEBIAAF-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000520675607 1009747434 /nfs/dbraw/zinc/74/74/34/1009747434.db2.gz WUJADECAEBIAAF-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)o1 ZINC000544197026 1009800104 /nfs/dbraw/zinc/80/01/04/1009800104.db2.gz DUFITOLPAKFAMY-HXUWFJFHSA-N 2 2 412.578 3.985 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000546871216 1009833074 /nfs/dbraw/zinc/83/30/74/1009833074.db2.gz SVOORPHYTNOEOK-KRWDZBQOSA-N 2 2 422.411 3.826 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000546871216 1009833095 /nfs/dbraw/zinc/83/30/95/1009833095.db2.gz SVOORPHYTNOEOK-KRWDZBQOSA-N 2 2 422.411 3.826 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)[C@H](c2ccccc2)C1 ZINC000544361718 1009988320 /nfs/dbraw/zinc/98/83/20/1009988320.db2.gz YCKHTRMEFKTRHF-DQEYMECFSA-N 2 2 419.548 3.674 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)[C@H](c2ccccc2)C1 ZINC000544361718 1009988330 /nfs/dbraw/zinc/98/83/30/1009988330.db2.gz YCKHTRMEFKTRHF-DQEYMECFSA-N 2 2 419.548 3.674 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)[C@H](c2ccccc2)C1 ZINC000544361720 1009988418 /nfs/dbraw/zinc/98/84/18/1009988418.db2.gz YCKHTRMEFKTRHF-LOSJGSFVSA-N 2 2 419.548 3.674 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)[C@H](c2ccccc2)C1 ZINC000544361720 1009988425 /nfs/dbraw/zinc/98/84/25/1009988425.db2.gz YCKHTRMEFKTRHF-LOSJGSFVSA-N 2 2 419.548 3.674 20 0 HHADLP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c2cccs2)CC1 ZINC000544361250 1009989045 /nfs/dbraw/zinc/98/90/45/1009989045.db2.gz VQYMRDSKUNUXNO-GMAHTHKFSA-N 2 2 410.562 3.950 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000544363283 1009991182 /nfs/dbraw/zinc/99/11/82/1009991182.db2.gz WJGGTZSQHHTFDK-VWLOTQADSA-N 2 2 418.585 3.699 20 0 HHADLP Cc1csc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000544478415 1010101299 /nfs/dbraw/zinc/10/12/99/1010101299.db2.gz XTMZJMYPUGICCJ-CRAIPNDOSA-N 2 2 406.983 3.709 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117403 1010138520 /nfs/dbraw/zinc/13/85/20/1010138520.db2.gz ODWBUGNQUYPFAS-ROUUACIJSA-N 2 2 410.389 3.772 20 0 HHADLP CCC(C)(C)OCc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000544627193 1010250384 /nfs/dbraw/zinc/25/03/84/1010250384.db2.gz BHNOPHPERDRSGB-UHFFFAOYSA-N 2 2 404.599 3.882 20 0 HHADLP CCC(C)(C)OCc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544627193 1010250394 /nfs/dbraw/zinc/25/03/94/1010250394.db2.gz BHNOPHPERDRSGB-UHFFFAOYSA-N 2 2 404.599 3.882 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000550960617 1010281227 /nfs/dbraw/zinc/28/12/27/1010281227.db2.gz GVWYQGVDBNGDPR-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000550960617 1010281233 /nfs/dbraw/zinc/28/12/33/1010281233.db2.gz GVWYQGVDBNGDPR-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000551018684 1010320016 /nfs/dbraw/zinc/32/00/16/1010320016.db2.gz NLOUTIHYWDJRMW-UHFFFAOYSA-N 2 2 412.559 3.917 20 0 HHADLP Ic1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000551225731 1010449767 /nfs/dbraw/zinc/44/97/67/1010449767.db2.gz OVVHTJCARWLCPZ-UHFFFAOYSA-N 2 2 403.267 3.826 20 0 HHADLP O[C@@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000551589927 1010681579 /nfs/dbraw/zinc/68/15/79/1010681579.db2.gz KJGTWPJWPRXVSO-HSZRJFAPSA-N 2 2 403.526 3.684 20 0 HHADLP O[C@@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000551589927 1010681586 /nfs/dbraw/zinc/68/15/86/1010681586.db2.gz KJGTWPJWPRXVSO-HSZRJFAPSA-N 2 2 403.526 3.684 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2Br)CC1 ZINC000545209188 1010684934 /nfs/dbraw/zinc/68/49/34/1010684934.db2.gz ODBNXVBJWNNGLN-UHFFFAOYSA-N 2 2 411.384 3.734 20 0 HHADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704229 1010749694 /nfs/dbraw/zinc/74/96/94/1010749694.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 3 2 422.617 3.911 20 0 HHADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704229 1010749700 /nfs/dbraw/zinc/74/97/00/1010749700.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 3 2 422.617 3.911 20 0 HHADLP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704229 1010749706 /nfs/dbraw/zinc/74/97/06/1010749706.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 3 2 422.617 3.911 20 0 HHADLP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704229 1010749710 /nfs/dbraw/zinc/74/97/10/1010749710.db2.gz RPVORUJNNUVVGV-AREMUKBSSA-N 3 2 422.617 3.911 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545360144 1010750525 /nfs/dbraw/zinc/75/05/25/1010750525.db2.gz JHXHQXCFMCICJW-UHFFFAOYSA-N 2 2 406.452 3.515 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545360144 1010750534 /nfs/dbraw/zinc/75/05/34/1010750534.db2.gz JHXHQXCFMCICJW-UHFFFAOYSA-N 2 2 406.452 3.515 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919572 1010760333 /nfs/dbraw/zinc/76/03/33/1010760333.db2.gz ROJFBVUFKAJBAW-DLBZAZTESA-N 2 2 403.571 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919572 1010760338 /nfs/dbraw/zinc/76/03/38/1010760338.db2.gz ROJFBVUFKAJBAW-DLBZAZTESA-N 2 2 403.571 3.506 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cn3cc[nH+]c3)cc2)C1 ZINC000545381495 1010764696 /nfs/dbraw/zinc/76/46/96/1010764696.db2.gz JDKOGIIVTJELML-IBGZPJMESA-N 2 2 424.570 3.964 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cn3cc[nH+]c3)cc2)C1 ZINC000545381495 1010764703 /nfs/dbraw/zinc/76/47/03/1010764703.db2.gz JDKOGIIVTJELML-IBGZPJMESA-N 2 2 424.570 3.964 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cn3cc[nH+]c3)cc2)C1 ZINC000545381496 1010764812 /nfs/dbraw/zinc/76/48/12/1010764812.db2.gz JDKOGIIVTJELML-LJQANCHMSA-N 2 2 424.570 3.964 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cn3cc[nH+]c3)cc2)C1 ZINC000545381496 1010764814 /nfs/dbraw/zinc/76/48/14/1010764814.db2.gz JDKOGIIVTJELML-LJQANCHMSA-N 2 2 424.570 3.964 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000522463709 1011028207 /nfs/dbraw/zinc/02/82/07/1011028207.db2.gz YTQCANKBSBHEPK-QFIPXVFZSA-N 2 2 419.529 3.517 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752941 1011195434 /nfs/dbraw/zinc/19/54/34/1011195434.db2.gz WEJKGQGJPDFLGS-RLLQIKCJSA-N 2 2 405.464 3.905 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752941 1011195437 /nfs/dbraw/zinc/19/54/37/1011195437.db2.gz WEJKGQGJPDFLGS-RLLQIKCJSA-N 2 2 405.464 3.905 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000540590180 1011246355 /nfs/dbraw/zinc/24/63/55/1011246355.db2.gz WPHGYSDVQVNSGW-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000540590180 1011246371 /nfs/dbraw/zinc/24/63/71/1011246371.db2.gz WPHGYSDVQVNSGW-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540926157 1011589644 /nfs/dbraw/zinc/58/96/44/1011589644.db2.gz UDAWARCBQCTYLY-PZJWPPBQSA-N 2 2 404.917 3.652 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540926157 1011589658 /nfs/dbraw/zinc/58/96/58/1011589658.db2.gz UDAWARCBQCTYLY-PZJWPPBQSA-N 2 2 404.917 3.652 20 0 HHADLP CN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536435775 1011658265 /nfs/dbraw/zinc/65/82/65/1011658265.db2.gz GHHPYMQITWBOGA-QPTUXGOLSA-N 2 2 413.606 3.600 20 0 HHADLP CN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536435775 1011658272 /nfs/dbraw/zinc/65/82/72/1011658272.db2.gz GHHPYMQITWBOGA-QPTUXGOLSA-N 2 2 413.606 3.600 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541181073 1011853677 /nfs/dbraw/zinc/85/36/77/1011853677.db2.gz ZEGNLIUXETZJKA-UHFFFAOYSA-N 2 2 409.578 3.881 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541185030 1011857993 /nfs/dbraw/zinc/85/79/93/1011857993.db2.gz RTSNTAMTWLZVAE-URXFXBBRSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541185030 1011858010 /nfs/dbraw/zinc/85/80/10/1011858010.db2.gz RTSNTAMTWLZVAE-URXFXBBRSA-N 2 2 423.605 3.996 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc4ccc(Cl)cn34)CC2)c1 ZINC000523391221 1011870478 /nfs/dbraw/zinc/87/04/78/1011870478.db2.gz BLQNLRVZWXDWJZ-UHFFFAOYSA-N 2 2 418.372 3.943 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250658 1011931598 /nfs/dbraw/zinc/93/15/98/1011931598.db2.gz CMMPCAFFOGIJDA-BWAGFHJFSA-N 2 2 416.610 3.668 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250658 1011931611 /nfs/dbraw/zinc/93/16/11/1011931611.db2.gz CMMPCAFFOGIJDA-BWAGFHJFSA-N 2 2 416.610 3.668 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541301243 1012003528 /nfs/dbraw/zinc/00/35/28/1012003528.db2.gz BCNYLUAQBKUHRT-MAODMQOUSA-N 2 2 419.491 3.745 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541301243 1012003547 /nfs/dbraw/zinc/00/35/47/1012003547.db2.gz BCNYLUAQBKUHRT-MAODMQOUSA-N 2 2 419.491 3.745 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876481 1012119481 /nfs/dbraw/zinc/11/94/81/1012119481.db2.gz MTYRKKBSYAKLPX-MZBJOSPHSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876481 1012119492 /nfs/dbraw/zinc/11/94/92/1012119492.db2.gz MTYRKKBSYAKLPX-MZBJOSPHSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000536876481 1012119500 /nfs/dbraw/zinc/11/95/00/1012119500.db2.gz MTYRKKBSYAKLPX-MZBJOSPHSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000536876481 1012119516 /nfs/dbraw/zinc/11/95/16/1012119516.db2.gz MTYRKKBSYAKLPX-MZBJOSPHSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)Oc1c(F)cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000541464331 1012226924 /nfs/dbraw/zinc/22/69/24/1012226924.db2.gz QGFDIVDJDLJKCF-UHFFFAOYSA-N 2 2 424.536 3.824 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470438 1012237165 /nfs/dbraw/zinc/23/71/65/1012237165.db2.gz AKWPDBGGGHRZKC-MOPGFXCFSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470438 1012237184 /nfs/dbraw/zinc/23/71/84/1012237184.db2.gz AKWPDBGGGHRZKC-MOPGFXCFSA-N 2 2 405.612 3.604 20 0 HHADLP O=C(CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000536998331 1012299287 /nfs/dbraw/zinc/29/92/87/1012299287.db2.gz PPZBIGDPDNXHLU-DEOSSOPVSA-N 2 2 410.537 3.781 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1F ZINC000537024546 1012332928 /nfs/dbraw/zinc/33/29/28/1012332928.db2.gz PERWTOZFKYKEPW-OAHLLOKOSA-N 2 2 405.514 3.803 20 0 HHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1F ZINC000552336780 1012348373 /nfs/dbraw/zinc/34/83/73/1012348373.db2.gz JHXAFZVNNYNKMC-VQFZFJAISA-N 2 2 417.569 3.534 20 0 HHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1F ZINC000552336780 1012348400 /nfs/dbraw/zinc/34/84/00/1012348400.db2.gz JHXAFZVNNYNKMC-VQFZFJAISA-N 2 2 417.569 3.534 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000552341841 1012353993 /nfs/dbraw/zinc/35/39/93/1012353993.db2.gz YZDOMUDVKFYZBS-IYHXRUFHSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000552341841 1012354007 /nfs/dbraw/zinc/35/40/07/1012354007.db2.gz YZDOMUDVKFYZBS-IYHXRUFHSA-N 2 2 408.384 3.573 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3C)cc2)CC1 ZINC000541566069 1012354761 /nfs/dbraw/zinc/35/47/61/1012354761.db2.gz OREFSLLKYNJHQC-SANMLTNESA-N 2 2 422.617 3.618 20 0 HHADLP CC[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523750121 1012375004 /nfs/dbraw/zinc/37/50/04/1012375004.db2.gz TWSUWYIXOIKURA-JOCHJYFZSA-N 2 2 403.530 3.508 20 0 HHADLP CC[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523750121 1012375019 /nfs/dbraw/zinc/37/50/19/1012375019.db2.gz TWSUWYIXOIKURA-JOCHJYFZSA-N 2 2 403.530 3.508 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000541626050 1012437397 /nfs/dbraw/zinc/43/73/97/1012437397.db2.gz QRAJUYLGDSLTFG-SFHVURJKSA-N 2 2 421.994 3.591 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1c(C)noc1C ZINC000541635264 1012450113 /nfs/dbraw/zinc/45/01/13/1012450113.db2.gz QMTQTIPUJYBOCP-QFIPXVFZSA-N 2 2 412.578 3.800 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537189674 1012601020 /nfs/dbraw/zinc/60/10/20/1012601020.db2.gz ZTQZPXMKEPDRJF-BJKOFHAPSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537189674 1012601026 /nfs/dbraw/zinc/60/10/26/1012601026.db2.gz ZTQZPXMKEPDRJF-BJKOFHAPSA-N 2 2 410.606 3.896 20 0 HHADLP Cn1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)n1 ZINC000541746673 1012604729 /nfs/dbraw/zinc/60/47/29/1012604729.db2.gz LBWJILMQWOZWCI-XMMPIXPASA-N 2 2 423.992 3.570 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000523906118 1012622667 /nfs/dbraw/zinc/62/26/67/1012622667.db2.gz CYXGBPDHQZIFDJ-HXUWFJFHSA-N 2 2 413.497 3.795 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801502 1012679675 /nfs/dbraw/zinc/67/96/75/1012679675.db2.gz YZOVMKGPEGCGDS-NRSPTQNISA-N 2 2 419.491 3.775 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801502 1012679682 /nfs/dbraw/zinc/67/96/82/1012679682.db2.gz YZOVMKGPEGCGDS-NRSPTQNISA-N 2 2 419.491 3.775 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808583 1012692882 /nfs/dbraw/zinc/69/28/82/1012692882.db2.gz ZRLRVKAIHVEKKT-UWJYYQICSA-N 2 2 407.562 3.780 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808583 1012692890 /nfs/dbraw/zinc/69/28/90/1012692890.db2.gz ZRLRVKAIHVEKKT-UWJYYQICSA-N 2 2 407.562 3.780 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000537303570 1012760205 /nfs/dbraw/zinc/76/02/05/1012760205.db2.gz PQVHACFRMFPLTG-IBGZPJMESA-N 2 2 410.965 3.743 20 0 HHADLP COc1cccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)c1 ZINC000552818832 1012828357 /nfs/dbraw/zinc/82/83/57/1012828357.db2.gz GTNLLLFYFNCTKD-XZOQPEGZSA-N 2 2 418.541 3.894 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)c2)CC1 ZINC000524120701 1012898687 /nfs/dbraw/zinc/89/86/87/1012898687.db2.gz SETODVXBAYVJRF-UHFFFAOYSA-N 2 2 421.589 3.782 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](CCc4ccccc4)CC3)[nH+]c2)CC1 ZINC000537486823 1012997961 /nfs/dbraw/zinc/99/79/61/1012997961.db2.gz QPCYAFFOGSDQKK-UHFFFAOYSA-N 3 2 407.606 3.731 20 0 HHADLP C[NH+](C)C1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001168305693 1072477156 /nfs/dbraw/zinc/47/71/56/1072477156.db2.gz KIKZBXYGMZMWMY-BBHUYCHWSA-N 3 2 405.546 3.590 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000586857402 1072478482 /nfs/dbraw/zinc/47/84/82/1072478482.db2.gz NLUFRSJTFYNHNS-OAHLLOKOSA-N 2 2 412.500 3.624 20 0 HHADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000571469412 1072629164 /nfs/dbraw/zinc/62/91/64/1072629164.db2.gz UODGJFIQNJLYIM-ZYJGPIPZSA-N 2 2 401.595 3.846 20 0 HHADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000571469412 1072629168 /nfs/dbraw/zinc/62/91/68/1072629168.db2.gz UODGJFIQNJLYIM-ZYJGPIPZSA-N 2 2 401.595 3.846 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392999 1072806462 /nfs/dbraw/zinc/80/64/62/1072806462.db2.gz MGQBLWZOXUVPBL-ZIAGYGMSSA-N 2 2 422.422 3.659 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392999 1072806474 /nfs/dbraw/zinc/80/64/74/1072806474.db2.gz MGQBLWZOXUVPBL-ZIAGYGMSSA-N 2 2 422.422 3.659 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479420338 1072818612 /nfs/dbraw/zinc/81/86/12/1072818612.db2.gz JDNDRWSXHNCADD-FQEVSTJZSA-N 2 2 413.610 3.737 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479420338 1072818623 /nfs/dbraw/zinc/81/86/23/1072818623.db2.gz JDNDRWSXHNCADD-FQEVSTJZSA-N 2 2 413.610 3.737 20 0 HHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000554863273 1072922754 /nfs/dbraw/zinc/92/27/54/1072922754.db2.gz PYGPKSXKINSMOT-DEOSSOPVSA-N 2 2 417.553 3.807 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000571952830 1072952740 /nfs/dbraw/zinc/95/27/40/1072952740.db2.gz KQVWQYMQRMGDOM-UHFFFAOYSA-N 2 2 424.467 3.590 20 0 HHADLP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555086578 1073147972 /nfs/dbraw/zinc/14/79/72/1073147972.db2.gz BLMBZVMHTDIZGX-QHCPKHFHSA-N 2 2 402.542 3.597 20 0 HHADLP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555086578 1073147976 /nfs/dbraw/zinc/14/79/76/1073147976.db2.gz BLMBZVMHTDIZGX-QHCPKHFHSA-N 2 2 402.542 3.597 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249912 1073279307 /nfs/dbraw/zinc/27/93/07/1073279307.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249912 1073279313 /nfs/dbraw/zinc/27/93/13/1073279313.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H](N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249912 1073279317 /nfs/dbraw/zinc/27/93/17/1073279317.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 2 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H](N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249912 1073279333 /nfs/dbraw/zinc/27/93/33/1073279333.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 2 2 406.618 3.618 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000590073790 1073512497 /nfs/dbraw/zinc/51/24/97/1073512497.db2.gz NSHMVUHGIMMIJG-DEOSSOPVSA-N 2 2 404.558 3.799 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000590073790 1073512511 /nfs/dbraw/zinc/51/25/11/1073512511.db2.gz NSHMVUHGIMMIJG-DEOSSOPVSA-N 2 2 404.558 3.799 20 0 HHADLP COc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCCC2)cc1 ZINC000590149114 1073591721 /nfs/dbraw/zinc/59/17/21/1073591721.db2.gz BUJHVISYUFSGOD-FPOVZHCZSA-N 2 2 411.550 3.535 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158069 1073600225 /nfs/dbraw/zinc/60/02/25/1073600225.db2.gz UQCKDVTVYCNMFV-XQBPLPMBSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158069 1073600230 /nfs/dbraw/zinc/60/02/30/1073600230.db2.gz UQCKDVTVYCNMFV-XQBPLPMBSA-N 2 2 409.578 3.977 20 0 HHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000600429024 1073876471 /nfs/dbraw/zinc/87/64/71/1073876471.db2.gz IQUKVMHNPOQQIM-FQEVSTJZSA-N 2 2 403.929 3.935 20 0 HHADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000600429024 1073876477 /nfs/dbraw/zinc/87/64/77/1073876477.db2.gz IQUKVMHNPOQQIM-FQEVSTJZSA-N 2 2 403.929 3.935 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591523750 1074365330 /nfs/dbraw/zinc/36/53/30/1074365330.db2.gz JUSBYLUSPXZRDF-OAQYLSRUSA-N 2 2 422.573 3.820 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591523750 1074365340 /nfs/dbraw/zinc/36/53/40/1074365340.db2.gz JUSBYLUSPXZRDF-OAQYLSRUSA-N 2 2 422.573 3.820 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592486903 1074768072 /nfs/dbraw/zinc/76/80/72/1074768072.db2.gz FMAGODBLWDOXJK-JXFKEZNVSA-N 2 2 422.976 3.932 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592486903 1074768075 /nfs/dbraw/zinc/76/80/75/1074768075.db2.gz FMAGODBLWDOXJK-JXFKEZNVSA-N 2 2 422.976 3.932 20 0 HHADLP COc1ccc(-c2cc(C[NH+]3CCN(CC[N@H+](C)Cc4ccccc4)CC3)on2)cc1 ZINC000595571447 1075466557 /nfs/dbraw/zinc/46/65/57/1075466557.db2.gz HACXRJRWZYGOSE-UHFFFAOYSA-N 2 2 420.557 3.600 20 0 HHADLP COc1ccc(-c2cc(C[NH+]3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)on2)cc1 ZINC000595571447 1075466558 /nfs/dbraw/zinc/46/65/58/1075466558.db2.gz HACXRJRWZYGOSE-UHFFFAOYSA-N 2 2 420.557 3.600 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472821 1075618229 /nfs/dbraw/zinc/61/82/29/1075618229.db2.gz WGOYIRYXGJQNSQ-LJQANCHMSA-N 2 2 401.551 3.795 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472821 1075618231 /nfs/dbraw/zinc/61/82/31/1075618231.db2.gz WGOYIRYXGJQNSQ-LJQANCHMSA-N 2 2 401.551 3.795 20 0 HHADLP CN(C(=O)c1ccccc1SCc1ccco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473046 1075618243 /nfs/dbraw/zinc/61/82/43/1075618243.db2.gz BSXSBHGJACWFDI-LJQANCHMSA-N 2 2 413.587 3.812 20 0 HHADLP CN(C(=O)c1ccccc1SCc1ccco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473046 1075618244 /nfs/dbraw/zinc/61/82/44/1075618244.db2.gz BSXSBHGJACWFDI-LJQANCHMSA-N 2 2 413.587 3.812 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472719 1075618269 /nfs/dbraw/zinc/61/82/69/1075618269.db2.gz PTGMGTRGCMUOBH-NRFANRHFSA-N 2 2 413.512 3.872 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472719 1075618271 /nfs/dbraw/zinc/61/82/71/1075618271.db2.gz PTGMGTRGCMUOBH-NRFANRHFSA-N 2 2 413.512 3.872 20 0 HHADLP CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473575 1075618807 /nfs/dbraw/zinc/61/88/07/1075618807.db2.gz GRDAYWCLPBCODA-NRFANRHFSA-N 2 2 411.521 3.859 20 0 HHADLP CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473575 1075618810 /nfs/dbraw/zinc/61/88/10/1075618810.db2.gz GRDAYWCLPBCODA-NRFANRHFSA-N 2 2 411.521 3.859 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477474 1075619720 /nfs/dbraw/zinc/61/97/20/1075619720.db2.gz GJWZDFDLAFIDNV-GOSISDBHSA-N 2 2 411.571 3.548 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477474 1075619721 /nfs/dbraw/zinc/61/97/21/1075619721.db2.gz GJWZDFDLAFIDNV-GOSISDBHSA-N 2 2 411.571 3.548 20 0 HHADLP CN(C(=O)CCc1cccc(OC2CCCC2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478972 1075621022 /nfs/dbraw/zinc/62/10/22/1075621022.db2.gz QFDNSXAFOOABFK-QFIPXVFZSA-N 2 2 413.606 3.568 20 0 HHADLP CN(C(=O)CCc1cccc(OC2CCCC2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478972 1075621025 /nfs/dbraw/zinc/62/10/25/1075621025.db2.gz QFDNSXAFOOABFK-QFIPXVFZSA-N 2 2 413.606 3.568 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)C2)CC1 ZINC000602205193 1075713220 /nfs/dbraw/zinc/71/32/20/1075713220.db2.gz USUPOTOQVZXXKH-SFHVURJKSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)C2)CC1 ZINC000602205193 1075713226 /nfs/dbraw/zinc/71/32/26/1075713226.db2.gz USUPOTOQVZXXKH-SFHVURJKSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204679 1075713285 /nfs/dbraw/zinc/71/32/85/1075713285.db2.gz WPNQPLRQWAQITF-OFNKIYASSA-N 2 2 409.599 3.805 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204679 1075713292 /nfs/dbraw/zinc/71/32/92/1075713292.db2.gz WPNQPLRQWAQITF-OFNKIYASSA-N 2 2 409.599 3.805 20 0 HHADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4cc(OC)c(F)cc43)CC2)CC1 ZINC001164616504 719034768 /nfs/dbraw/zinc/03/47/68/719034768.db2.gz DVXMFUOZLPLWJE-UHFFFAOYSA-N 2 2 415.509 3.626 20 0 HHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164714714 720140289 /nfs/dbraw/zinc/14/02/89/720140289.db2.gz YHGHTZYPKGKBIT-NRFANRHFSA-N 2 2 409.578 3.811 20 0 HHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164714714 720140303 /nfs/dbraw/zinc/14/03/03/720140303.db2.gz YHGHTZYPKGKBIT-NRFANRHFSA-N 2 2 409.578 3.811 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757212 720900683 /nfs/dbraw/zinc/90/06/83/720900683.db2.gz UJYPXJCPNLGACL-RCZVLFRGSA-N 2 2 422.573 3.549 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757212 720900695 /nfs/dbraw/zinc/90/06/95/720900695.db2.gz UJYPXJCPNLGACL-RCZVLFRGSA-N 2 2 422.573 3.549 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164785133 721451644 /nfs/dbraw/zinc/45/16/44/721451644.db2.gz GQSVKELXCHTSKY-OAQYLSRUSA-N 2 2 416.610 3.642 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164785133 721451647 /nfs/dbraw/zinc/45/16/47/721451647.db2.gz GQSVKELXCHTSKY-OAQYLSRUSA-N 2 2 416.610 3.642 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164907356 721537810 /nfs/dbraw/zinc/53/78/10/721537810.db2.gz NCHJBJVZPFMPKX-QUCCMNQESA-N 2 2 423.488 3.733 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164907356 721537814 /nfs/dbraw/zinc/53/78/14/721537814.db2.gz NCHJBJVZPFMPKX-QUCCMNQESA-N 2 2 423.488 3.733 20 0 HHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC001165022073 721841237 /nfs/dbraw/zinc/84/12/37/721841237.db2.gz PHWSUQFDTBAKJK-UHFFFAOYSA-N 2 2 409.534 3.693 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938598 721929471 /nfs/dbraw/zinc/92/94/71/721929471.db2.gz AELUWSZNNDKBFX-UHFFFAOYSA-N 2 2 408.546 3.528 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938598 721929475 /nfs/dbraw/zinc/92/94/75/721929475.db2.gz AELUWSZNNDKBFX-UHFFFAOYSA-N 2 2 408.546 3.528 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1F ZINC001164971737 722154748 /nfs/dbraw/zinc/15/47/48/722154748.db2.gz FCDJYOXMBBDTJW-AUSIDOKSSA-N 2 2 422.504 3.505 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1F ZINC001164971737 722154755 /nfs/dbraw/zinc/15/47/55/722154755.db2.gz FCDJYOXMBBDTJW-AUSIDOKSSA-N 2 2 422.504 3.505 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc[nH+]c12 ZINC000302558468 971256013 /nfs/dbraw/zinc/25/60/13/971256013.db2.gz SSMGBXIMEQAREO-IBGZPJMESA-N 2 2 404.514 3.553 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc[nH+]c12 ZINC000302558468 971256015 /nfs/dbraw/zinc/25/60/15/971256015.db2.gz SSMGBXIMEQAREO-IBGZPJMESA-N 2 2 404.514 3.553 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2ccccc21 ZINC000302751699 971303058 /nfs/dbraw/zinc/30/30/58/971303058.db2.gz LTZNZUNHVIKTCK-IBGZPJMESA-N 2 2 403.526 3.961 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]cn1 ZINC000302877824 971368375 /nfs/dbraw/zinc/36/83/75/971368375.db2.gz GDKVSXKVKPPQIH-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc[nH+]1 ZINC000302877824 971368388 /nfs/dbraw/zinc/36/83/88/971368388.db2.gz GDKVSXKVKPPQIH-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP C[NH+]1CCC(CNC(=O)CC2CCC(C(F)(F)F)CC2)([NH+]2CCCCC2)CC1 ZINC000542146064 1013081134 /nfs/dbraw/zinc/08/11/34/1013081134.db2.gz VPPZZFVILQTZLA-UHFFFAOYSA-N 2 2 403.533 3.812 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000303252485 971581800 /nfs/dbraw/zinc/58/18/00/971581800.db2.gz BEQSIBHSNVBJGD-MRXNPFEDSA-N 2 2 418.632 3.940 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000303252485 971581807 /nfs/dbraw/zinc/58/18/07/971581807.db2.gz BEQSIBHSNVBJGD-MRXNPFEDSA-N 2 2 418.632 3.940 20 0 HHADLP Cc1csc(-c2cccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)n1 ZINC000303941113 972522009 /nfs/dbraw/zinc/52/20/09/972522009.db2.gz FEYVJQZNRQWHFJ-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCCc2ncc(-c3ccccc3)o2)([NH+]2CCCCC2)CC1 ZINC000303945304 972526948 /nfs/dbraw/zinc/52/69/48/972526948.db2.gz GUAOMEQIIBCIAB-UHFFFAOYSA-N 2 2 424.589 3.731 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000010225756 961769593 /nfs/dbraw/zinc/76/95/93/961769593.db2.gz GMCOCLGWOLZAAX-UHFFFAOYSA-N 2 2 416.569 3.692 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(N3CCCCC3)nc2)CC1 ZINC000537750122 1013313190 /nfs/dbraw/zinc/31/31/90/1013313190.db2.gz XNTIEGOYNZLDBA-UHFFFAOYSA-N 2 2 413.997 3.767 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465709 1013413397 /nfs/dbraw/zinc/41/33/97/1013413397.db2.gz KEELVYQGNVIRQA-FQEVSTJZSA-N 2 2 415.497 3.716 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465709 1013413409 /nfs/dbraw/zinc/41/34/09/1013413409.db2.gz KEELVYQGNVIRQA-FQEVSTJZSA-N 2 2 415.497 3.716 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000542465485 1013413592 /nfs/dbraw/zinc/41/35/92/1013413592.db2.gz CISZWCOGXMYEHZ-UHFFFAOYSA-N 2 2 409.921 3.577 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000542465485 1013413598 /nfs/dbraw/zinc/41/35/98/1013413598.db2.gz CISZWCOGXMYEHZ-UHFFFAOYSA-N 2 2 409.921 3.577 20 0 HHADLP O=C1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2N1 ZINC000542473876 1013421059 /nfs/dbraw/zinc/42/10/59/1013421059.db2.gz RWNKGCSKQNCCCZ-OAQYLSRUSA-N 2 2 412.965 3.915 20 0 HHADLP CC[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000048965401 964099983 /nfs/dbraw/zinc/09/99/83/964099983.db2.gz HJIRPWKNHKYFIL-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000048965401 964099991 /nfs/dbraw/zinc/09/99/91/964099991.db2.gz HJIRPWKNHKYFIL-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000050254760 964296576 /nfs/dbraw/zinc/29/65/76/964296576.db2.gz CGBCEVJSAPAPAB-UHFFFAOYSA-N 2 2 401.407 3.838 20 0 HHADLP Cc1csc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000542552331 1013495547 /nfs/dbraw/zinc/49/55/47/1013495547.db2.gz FGDMTECWEGDUCH-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1csc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000542552331 1013495554 /nfs/dbraw/zinc/49/55/54/1013495554.db2.gz FGDMTECWEGDUCH-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(-c4ccccc4Cl)s3)CC2)CC1 ZINC000050797412 964399857 /nfs/dbraw/zinc/39/98/57/964399857.db2.gz FOHNLNAVEVANFO-UHFFFAOYSA-N 2 2 418.994 3.752 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797746 964400352 /nfs/dbraw/zinc/40/03/52/964400352.db2.gz QGUFFCIHKKPUDR-LJQANCHMSA-N 2 2 401.595 3.561 20 0 HHADLP CCCCCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801821 964401244 /nfs/dbraw/zinc/40/12/44/964401244.db2.gz ZLGSMAZTDUFZGA-UHFFFAOYSA-N 2 2 401.595 3.934 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)CC2)CC1 ZINC000050803199 964403083 /nfs/dbraw/zinc/40/30/83/964403083.db2.gz ZQJZSIDFYSSNMM-VOTSOKGWSA-N 2 2 412.965 3.576 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nc(C)cs1 ZINC000542555835 1013498369 /nfs/dbraw/zinc/49/83/69/1013498369.db2.gz HKKIRGSDYQECAM-JOCHJYFZSA-N 2 2 422.598 3.990 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000026311825 964521853 /nfs/dbraw/zinc/52/18/53/964521853.db2.gz WXOANVSCIAEOBZ-SFHVURJKSA-N 2 2 412.559 3.754 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051759685 964689151 /nfs/dbraw/zinc/68/91/51/964689151.db2.gz UOBFJLRUOTWEGU-OAQYLSRUSA-N 2 2 404.986 3.649 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1CCc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052106021 964809996 /nfs/dbraw/zinc/80/99/96/964809996.db2.gz WEKRHLFBEYFKHD-XMMPIXPASA-N 2 2 407.558 3.555 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1CCc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052106021 964810002 /nfs/dbraw/zinc/81/00/02/964810002.db2.gz WEKRHLFBEYFKHD-XMMPIXPASA-N 2 2 407.558 3.555 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960202 1013539471 /nfs/dbraw/zinc/53/94/71/1013539471.db2.gz MUOPWBXSSDQARV-KGVIQGDOSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960202 1013539478 /nfs/dbraw/zinc/53/94/78/1013539478.db2.gz MUOPWBXSSDQARV-KGVIQGDOSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537965207 1013542455 /nfs/dbraw/zinc/54/24/55/1013542455.db2.gz ABLUKJZIVKOKJW-LJQANCHMSA-N 2 2 424.570 3.898 20 0 HHADLP c1ccc(C2CCC([NH2+][C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)CC2)cc1 ZINC000537975052 1013552245 /nfs/dbraw/zinc/55/22/45/1013552245.db2.gz AAKDDQWVASPBHX-XPPIMPSXSA-N 2 2 421.589 3.598 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@H](c3ccn(C)n3)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000542662973 1013589355 /nfs/dbraw/zinc/58/93/55/1013589355.db2.gz WPZLYKWUMGEJQD-QFIPXVFZSA-N 2 2 410.953 3.828 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000030909717 965829673 /nfs/dbraw/zinc/82/96/73/965829673.db2.gz VUGUHHHWLRDQQR-JTQLQIEISA-N 2 2 403.118 3.595 20 0 HHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C[C@@H](C)O1 ZINC000060368398 966116280 /nfs/dbraw/zinc/11/62/80/966116280.db2.gz YJCUFOFSMCFZNE-HUUCEWRRSA-N 2 2 411.377 3.962 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053798 1013628429 /nfs/dbraw/zinc/62/84/29/1013628429.db2.gz DMLTXDOHNVDQCT-PMACEKPBSA-N 2 2 421.948 3.851 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053798 1013628432 /nfs/dbraw/zinc/62/84/32/1013628432.db2.gz DMLTXDOHNVDQCT-PMACEKPBSA-N 2 2 421.948 3.851 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000060546855 966198921 /nfs/dbraw/zinc/19/89/21/966198921.db2.gz ZUWKEAPBRWALOI-UHFFFAOYSA-N 2 2 410.562 3.685 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C ZINC000060546855 966198922 /nfs/dbraw/zinc/19/89/22/966198922.db2.gz ZUWKEAPBRWALOI-UHFFFAOYSA-N 2 2 410.562 3.685 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061021674 966353299 /nfs/dbraw/zinc/35/32/99/966353299.db2.gz UGNAVCUWEHCLFI-UHFFFAOYSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056479535 966354468 /nfs/dbraw/zinc/35/44/68/966354468.db2.gz VFLQFLXFIQBJDY-UHFFFAOYSA-N 2 2 401.514 3.657 20 0 HHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)cc2)CC1 ZINC000061163072 966386484 /nfs/dbraw/zinc/38/64/84/966386484.db2.gz AFVHBBDAAXXEOJ-UHFFFAOYSA-N 2 2 421.589 3.532 20 0 HHADLP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000035818804 966423978 /nfs/dbraw/zinc/42/39/78/966423978.db2.gz WUEBKZOILNJYIL-JOCHJYFZSA-N 2 2 405.586 3.674 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC4CCCC4)CC3)c2C1 ZINC000063272696 966799486 /nfs/dbraw/zinc/79/94/86/966799486.db2.gz BIVPLRFHGIYULZ-UHFFFAOYSA-N 2 2 420.601 3.997 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC4CCCC4)CC3)c2C1 ZINC000063272696 966799488 /nfs/dbraw/zinc/79/94/88/966799488.db2.gz BIVPLRFHGIYULZ-UHFFFAOYSA-N 2 2 420.601 3.997 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)n2)C1 ZINC000043547384 966996965 /nfs/dbraw/zinc/99/69/65/966996965.db2.gz RRPRMSGLGCXAGR-WMZOPIPTSA-N 2 2 417.579 3.927 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)n2)C1 ZINC000043547384 966996972 /nfs/dbraw/zinc/99/69/72/966996972.db2.gz RRPRMSGLGCXAGR-WMZOPIPTSA-N 2 2 417.579 3.927 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000542849761 1013708173 /nfs/dbraw/zinc/70/81/73/1013708173.db2.gz FDFGPYSYQUEADU-FQEVSTJZSA-N 2 2 412.981 3.844 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000542849761 1013708181 /nfs/dbraw/zinc/70/81/81/1013708181.db2.gz FDFGPYSYQUEADU-FQEVSTJZSA-N 2 2 412.981 3.844 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045132596 967360195 /nfs/dbraw/zinc/36/01/95/967360195.db2.gz SMTYGXKSVVSFIE-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000553981104 1013735329 /nfs/dbraw/zinc/73/53/29/1013735329.db2.gz BTGBPLUFMYZMJR-DHIUTWEWSA-N 2 2 417.578 3.678 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000553981104 1013735336 /nfs/dbraw/zinc/73/53/36/1013735336.db2.gz BTGBPLUFMYZMJR-DHIUTWEWSA-N 2 2 417.578 3.678 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045988140 967622660 /nfs/dbraw/zinc/62/26/60/967622660.db2.gz GETDHIZDIJABKH-UHFFFAOYSA-N 2 2 411.550 3.593 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000047569990 968240967 /nfs/dbraw/zinc/24/09/67/968240967.db2.gz LKGBDVJWHIFCRT-WOJBJXKFSA-N 2 2 414.594 3.778 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777649 968309360 /nfs/dbraw/zinc/30/93/60/968309360.db2.gz CGKKOGMVYJALMJ-NRFANRHFSA-N 2 2 407.518 3.551 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000047937674 968371897 /nfs/dbraw/zinc/37/18/97/968371897.db2.gz SAYFRDSGSJPXTK-QHCPKHFHSA-N 2 2 405.546 3.596 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097604724 969178318 /nfs/dbraw/zinc/17/83/18/969178318.db2.gz LRQPGSQXLAXVJX-ZWNOBZJWSA-N 2 2 406.162 3.793 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097604724 969178321 /nfs/dbraw/zinc/17/83/21/969178321.db2.gz LRQPGSQXLAXVJX-ZWNOBZJWSA-N 2 2 406.162 3.793 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000106112722 969291281 /nfs/dbraw/zinc/29/12/81/969291281.db2.gz FNVNUZAMUQHBND-QHCPKHFHSA-N 2 2 406.530 3.753 20 0 HHADLP O=C(C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109012442 969448119 /nfs/dbraw/zinc/44/81/19/969448119.db2.gz INXDFIBHWVPWRB-XMMPIXPASA-N 2 2 405.542 3.609 20 0 HHADLP O=C(C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109012442 969448122 /nfs/dbraw/zinc/44/81/22/969448122.db2.gz INXDFIBHWVPWRB-XMMPIXPASA-N 2 2 405.542 3.609 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109546435 969531309 /nfs/dbraw/zinc/53/13/09/969531309.db2.gz VIKFREQFUDGRBU-HNNXBMFYSA-N 2 2 414.377 3.755 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000112680733 969824277 /nfs/dbraw/zinc/82/42/77/969824277.db2.gz BZYKACKUVBVPMA-UHFFFAOYSA-N 2 2 423.605 3.813 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000112680733 969824279 /nfs/dbraw/zinc/82/42/79/969824279.db2.gz BZYKACKUVBVPMA-UHFFFAOYSA-N 2 2 423.605 3.813 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000138498704 969999332 /nfs/dbraw/zinc/99/93/32/969999332.db2.gz ZWZYJMBHCUHEOZ-UHFFFAOYSA-N 2 2 401.580 3.902 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000138498704 969999337 /nfs/dbraw/zinc/99/93/37/969999337.db2.gz ZWZYJMBHCUHEOZ-UHFFFAOYSA-N 2 2 401.580 3.902 20 0 HHADLP CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000215981789 970058511 /nfs/dbraw/zinc/05/85/11/970058511.db2.gz MQEMROXGYHVPET-UHFFFAOYSA-N 2 2 408.974 3.807 20 0 HHADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2ccccc2OCc2cccnc2)c1 ZINC000236695031 970156956 /nfs/dbraw/zinc/15/69/56/970156956.db2.gz SAWWBYTWCLESGV-UHFFFAOYSA-N 2 2 403.526 3.783 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000237302090 970258366 /nfs/dbraw/zinc/25/83/66/970258366.db2.gz LUHPSKWPPIKEQQ-AVRDEDQJSA-N 2 2 411.546 3.848 20 0 HHADLP [NH3+][C@H](C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000237825968 970375824 /nfs/dbraw/zinc/37/58/24/970375824.db2.gz KMLJXUBFTPLMGZ-VWLOTQADSA-N 2 2 414.553 3.643 20 0 HHADLP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000237825968 970375836 /nfs/dbraw/zinc/37/58/36/970375836.db2.gz KMLJXUBFTPLMGZ-VWLOTQADSA-N 2 2 414.553 3.643 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(Cl)cccc3Cl)c2)C1 ZINC000237933498 970397580 /nfs/dbraw/zinc/39/75/80/970397580.db2.gz RZSNVVAMEQJSLV-KRWDZBQOSA-N 2 2 406.357 3.981 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3c(Cl)cccc3Cl)c2)C1 ZINC000237933498 970397602 /nfs/dbraw/zinc/39/76/02/970397602.db2.gz RZSNVVAMEQJSLV-KRWDZBQOSA-N 2 2 406.357 3.981 20 0 HHADLP Fc1cc(C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)ccc1-n1cc[nH+]c1 ZINC000165611246 970460006 /nfs/dbraw/zinc/46/00/06/970460006.db2.gz VEHFORXUKXIUAC-UHFFFAOYSA-N 2 2 417.488 3.686 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000261441723 970684007 /nfs/dbraw/zinc/68/40/07/970684007.db2.gz MOKPFXLVPNVUDG-JOCHJYFZSA-N 2 2 413.587 3.746 20 0 HHADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000261444664 970686882 /nfs/dbraw/zinc/68/68/82/970686882.db2.gz RYGLGWFRXYUPMG-LJQANCHMSA-N 2 2 410.965 3.599 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000303970496 972557659 /nfs/dbraw/zinc/55/76/59/972557659.db2.gz SHXNUNAVZLSZTC-IAGOWNOFSA-N 2 2 407.961 3.649 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760100 973236237 /nfs/dbraw/zinc/23/62/37/973236237.db2.gz JBXLDBYNVDMBFP-WOJBJXKFSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760100 973236242 /nfs/dbraw/zinc/23/62/42/973236242.db2.gz JBXLDBYNVDMBFP-WOJBJXKFSA-N 2 2 401.599 3.619 20 0 HHADLP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292106 973822737 /nfs/dbraw/zinc/82/27/37/973822737.db2.gz WVFONWUHEUCMQX-FGZHOGPDSA-N 2 2 406.574 3.838 20 0 HHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292106 973822742 /nfs/dbraw/zinc/82/27/42/973822742.db2.gz WVFONWUHEUCMQX-FGZHOGPDSA-N 2 2 406.574 3.838 20 0 HHADLP COc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066523 /nfs/dbraw/zinc/06/65/23/974066523.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066535 /nfs/dbraw/zinc/06/65/35/974066535.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066539 /nfs/dbraw/zinc/06/65/39/974066539.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000425963045 974066557 /nfs/dbraw/zinc/06/65/57/974066557.db2.gz BAMYENBWWVRYKO-NRFANRHFSA-N 2 2 419.363 3.527 20 0 HHADLP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425969042 974074449 /nfs/dbraw/zinc/07/44/49/974074449.db2.gz VNMIAOCSLHDZIJ-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425969042 974074457 /nfs/dbraw/zinc/07/44/57/974074457.db2.gz VNMIAOCSLHDZIJ-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccncc2)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425969042 974074466 /nfs/dbraw/zinc/07/44/66/974074466.db2.gz VNMIAOCSLHDZIJ-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccncc2)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425969042 974074473 /nfs/dbraw/zinc/07/44/73/974074473.db2.gz VNMIAOCSLHDZIJ-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976844 974084837 /nfs/dbraw/zinc/08/48/37/974084837.db2.gz IHTISTGYUPOWIB-MOPGFXCFSA-N 2 2 423.483 3.685 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976844 974084936 /nfs/dbraw/zinc/08/49/36/974084936.db2.gz IHTISTGYUPOWIB-MOPGFXCFSA-N 2 2 423.483 3.685 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976847 974086241 /nfs/dbraw/zinc/08/62/41/974086241.db2.gz IHTISTGYUPOWIB-RTBURBONSA-N 2 2 423.483 3.685 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976847 974086249 /nfs/dbraw/zinc/08/62/49/974086249.db2.gz IHTISTGYUPOWIB-RTBURBONSA-N 2 2 423.483 3.685 20 0 HHADLP C[N@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251623 974346589 /nfs/dbraw/zinc/34/65/89/974346589.db2.gz MFKWULPIAQZSAI-BJKOFHAPSA-N 2 2 417.557 3.933 20 0 HHADLP C[N@@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251623 974346596 /nfs/dbraw/zinc/34/65/96/974346596.db2.gz MFKWULPIAQZSAI-BJKOFHAPSA-N 2 2 417.557 3.933 20 0 HHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426775280 974651817 /nfs/dbraw/zinc/65/18/17/974651817.db2.gz ADZNQYZXVCFUEH-VAMGGRTRSA-N 2 2 412.578 3.933 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427333654 975058825 /nfs/dbraw/zinc/05/88/25/975058825.db2.gz BBGCNQTXCNHRRV-BGYRXZFFSA-N 2 2 410.562 3.532 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427333654 975058832 /nfs/dbraw/zinc/05/88/32/975058832.db2.gz BBGCNQTXCNHRRV-BGYRXZFFSA-N 2 2 410.562 3.532 20 0 HHADLP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600690 975207319 /nfs/dbraw/zinc/20/73/19/975207319.db2.gz HUWSTYZNAQHDSF-VWLOTQADSA-N 2 2 420.601 3.604 20 0 HHADLP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600690 975207326 /nfs/dbraw/zinc/20/73/26/975207326.db2.gz HUWSTYZNAQHDSF-VWLOTQADSA-N 2 2 420.601 3.604 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847349 975319550 /nfs/dbraw/zinc/31/95/50/975319550.db2.gz AATSFDOZPKKIIP-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847349 975319553 /nfs/dbraw/zinc/31/95/53/975319553.db2.gz AATSFDOZPKKIIP-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000427889263 975334245 /nfs/dbraw/zinc/33/42/45/975334245.db2.gz WADRVHPQMHUZJG-AUSIDOKSSA-N 2 2 409.555 3.597 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428266102 975580372 /nfs/dbraw/zinc/58/03/72/975580372.db2.gz QRNRVHQCSYKUBR-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428266102 975580378 /nfs/dbraw/zinc/58/03/78/975580378.db2.gz QRNRVHQCSYKUBR-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428346762 975659419 /nfs/dbraw/zinc/65/94/19/975659419.db2.gz IEEDUNZGLFAYLI-RDPSFJRHSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428346762 975659422 /nfs/dbraw/zinc/65/94/22/975659422.db2.gz IEEDUNZGLFAYLI-RDPSFJRHSA-N 2 2 417.557 3.784 20 0 HHADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cn1 ZINC000428433622 975747430 /nfs/dbraw/zinc/74/74/30/975747430.db2.gz DKRYHFXVINKEON-UHFFFAOYSA-N 2 2 401.580 3.542 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428489109 975788749 /nfs/dbraw/zinc/78/87/49/975788749.db2.gz WIPSKBOHDXDCPC-XMMPIXPASA-N 2 2 412.578 3.596 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428489109 975788759 /nfs/dbraw/zinc/78/87/59/975788759.db2.gz WIPSKBOHDXDCPC-XMMPIXPASA-N 2 2 412.578 3.596 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Br)cc1 ZINC000428533936 975829941 /nfs/dbraw/zinc/82/99/41/975829941.db2.gz HTOVJCQSWXNMTM-OAHLLOKOSA-N 2 2 406.349 3.637 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000428569467 975881905 /nfs/dbraw/zinc/88/19/05/975881905.db2.gz TYPXNXLPEPQJET-XDNSSPFJSA-N 2 2 407.562 3.556 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000428569467 975881915 /nfs/dbraw/zinc/88/19/15/975881915.db2.gz TYPXNXLPEPQJET-XDNSSPFJSA-N 2 2 407.562 3.556 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000428703142 975993993 /nfs/dbraw/zinc/99/39/93/975993993.db2.gz UXRAYCFCLTZXBW-QFIPXVFZSA-N 2 2 411.594 3.704 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000428703142 975994004 /nfs/dbraw/zinc/99/40/04/975994004.db2.gz UXRAYCFCLTZXBW-QFIPXVFZSA-N 2 2 411.594 3.704 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000428872785 976162830 /nfs/dbraw/zinc/16/28/30/976162830.db2.gz PKVWHDQBAQLSRE-UHFFFAOYSA-N 2 2 414.594 3.987 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000429243236 976532034 /nfs/dbraw/zinc/53/20/34/976532034.db2.gz CRXLHFCUAJTHAH-UHFFFAOYSA-N 2 2 422.455 3.691 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000429243236 976532046 /nfs/dbraw/zinc/53/20/46/976532046.db2.gz CRXLHFCUAJTHAH-UHFFFAOYSA-N 2 2 422.455 3.691 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000429243236 976532057 /nfs/dbraw/zinc/53/20/57/976532057.db2.gz CRXLHFCUAJTHAH-UHFFFAOYSA-N 2 2 422.455 3.691 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000429243236 976532076 /nfs/dbraw/zinc/53/20/76/976532076.db2.gz CRXLHFCUAJTHAH-UHFFFAOYSA-N 2 2 422.455 3.691 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421941 976699425 /nfs/dbraw/zinc/69/94/25/976699425.db2.gz YBHBFJUOEDSWEJ-OFVILXPXSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421941 976699435 /nfs/dbraw/zinc/69/94/35/976699435.db2.gz YBHBFJUOEDSWEJ-OFVILXPXSA-N 3 2 411.590 3.569 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000429717790 977009257 /nfs/dbraw/zinc/00/92/57/977009257.db2.gz CTFSVLUOXVHTRF-UHFFFAOYSA-N 2 2 405.498 3.956 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Cl)ccc3OCC3CC3)ccn2)CC1 ZINC000430020835 977276617 /nfs/dbraw/zinc/27/66/17/977276617.db2.gz PSFHOHVUFHASSA-UHFFFAOYSA-N 2 2 400.954 3.565 20 0 HHADLP COC(=O)[C@@H](c1cccc(Cl)c1)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430932706 977896882 /nfs/dbraw/zinc/89/68/82/977896882.db2.gz GXYOKDYRJAFKGR-JOCHJYFZSA-N 2 2 422.013 3.682 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000431215107 978097365 /nfs/dbraw/zinc/09/73/65/978097365.db2.gz AFPHKZBRUCSIIA-HXUWFJFHSA-N 2 2 416.610 3.959 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000431672695 978426173 /nfs/dbraw/zinc/42/61/73/978426173.db2.gz HUKHEHNDDKFBBA-NQIIRXRSSA-N 2 2 410.562 3.902 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000431672695 978426178 /nfs/dbraw/zinc/42/61/78/978426178.db2.gz HUKHEHNDDKFBBA-NQIIRXRSSA-N 2 2 410.562 3.902 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431827352 978540762 /nfs/dbraw/zinc/54/07/62/978540762.db2.gz DSRLUFSTSMHFHR-UHFFFAOYSA-N 2 2 418.585 3.788 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000431827352 978540766 /nfs/dbraw/zinc/54/07/66/978540766.db2.gz DSRLUFSTSMHFHR-UHFFFAOYSA-N 2 2 418.585 3.788 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909358 978593204 /nfs/dbraw/zinc/59/32/04/978593204.db2.gz MYVVFSQTURYMPZ-GMKZXUHWSA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909358 978593208 /nfs/dbraw/zinc/59/32/08/978593208.db2.gz MYVVFSQTURYMPZ-GMKZXUHWSA-N 2 2 413.606 3.521 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431956178 978617842 /nfs/dbraw/zinc/61/78/42/978617842.db2.gz XFTNZFIWCJWNEW-UHFFFAOYSA-N 2 2 407.562 3.581 20 0 HHADLP C[N@H+](CCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1)Cc1ccccc1 ZINC000433025438 979045849 /nfs/dbraw/zinc/04/58/49/979045849.db2.gz KSCLZGQSSXJOHS-UHFFFAOYSA-N 2 2 404.605 3.543 20 0 HHADLP C[N@@H+](CCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1)Cc1ccccc1 ZINC000433025438 979045855 /nfs/dbraw/zinc/04/58/55/979045855.db2.gz KSCLZGQSSXJOHS-UHFFFAOYSA-N 2 2 404.605 3.543 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434003167 979750509 /nfs/dbraw/zinc/75/05/09/979750509.db2.gz RPVCEBGGDKFYQW-UHFFFAOYSA-N 2 2 421.589 3.904 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000434090977 979839869 /nfs/dbraw/zinc/83/98/69/979839869.db2.gz BJAOGOGTBCFOIV-HXUWFJFHSA-N 2 2 413.566 3.785 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000434175993 979939865 /nfs/dbraw/zinc/93/98/65/979939865.db2.gz XHMCVPKDZDJJFJ-IBGZPJMESA-N 2 2 409.578 3.629 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000434175993 979939872 /nfs/dbraw/zinc/93/98/72/979939872.db2.gz XHMCVPKDZDJJFJ-IBGZPJMESA-N 2 2 409.578 3.629 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434259128 980023586 /nfs/dbraw/zinc/02/35/86/980023586.db2.gz FWRJFMSLBFQZFZ-JOCHJYFZSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434259128 980023593 /nfs/dbraw/zinc/02/35/93/980023593.db2.gz FWRJFMSLBFQZFZ-JOCHJYFZSA-N 2 2 421.589 3.773 20 0 HHADLP CCC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000434281661 980041731 /nfs/dbraw/zinc/04/17/31/980041731.db2.gz ISDDBTWYARGVGT-HSZRJFAPSA-N 2 2 422.573 3.937 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC(F)(c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000434405071 980148032 /nfs/dbraw/zinc/14/80/32/980148032.db2.gz QSNBKQSQJLSGHF-UHFFFAOYSA-N 2 2 416.585 3.607 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(OC(F)F)cc1 ZINC000434673377 980331892 /nfs/dbraw/zinc/33/18/92/980331892.db2.gz CUAZALTVXKIBRI-UHFFFAOYSA-N 2 2 404.461 3.639 20 0 HHADLP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434675996 980333695 /nfs/dbraw/zinc/33/36/95/980333695.db2.gz OQBGVHCQUHGZRV-XMMPIXPASA-N 2 2 406.574 3.975 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434751363 980378737 /nfs/dbraw/zinc/37/87/37/980378737.db2.gz FCAWTVVTYXBIOC-KRWDZBQOSA-N 2 2 424.545 3.521 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000435790276 981032700 /nfs/dbraw/zinc/03/27/00/981032700.db2.gz LESRTFARPPEVAU-UKILVPOCSA-N 2 2 416.569 3.822 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000435790276 981032708 /nfs/dbraw/zinc/03/27/08/981032708.db2.gz LESRTFARPPEVAU-UKILVPOCSA-N 2 2 416.569 3.822 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436148289 981220816 /nfs/dbraw/zinc/22/08/16/981220816.db2.gz HPASHTPVIJFLEG-UXHICEINSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436148289 981220820 /nfs/dbraw/zinc/22/08/20/981220820.db2.gz HPASHTPVIJFLEG-UXHICEINSA-N 2 2 407.599 3.957 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000436291375 981285404 /nfs/dbraw/zinc/28/54/04/981285404.db2.gz QJXVRMQFICIOQG-UHFFFAOYSA-N 2 2 400.482 3.569 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436599878 981467281 /nfs/dbraw/zinc/46/72/81/981467281.db2.gz CQOYRQUASLQWSH-DHIUTWEWSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436599878 981467285 /nfs/dbraw/zinc/46/72/85/981467285.db2.gz CQOYRQUASLQWSH-DHIUTWEWSA-N 2 2 409.574 3.955 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000437056094 981727529 /nfs/dbraw/zinc/72/75/29/981727529.db2.gz JBRWJIRZEXKTSW-HYBUGGRVSA-N 2 2 406.574 3.598 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000437056094 981727534 /nfs/dbraw/zinc/72/75/34/981727534.db2.gz JBRWJIRZEXKTSW-HYBUGGRVSA-N 2 2 406.574 3.598 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000448468037 981805528 /nfs/dbraw/zinc/80/55/28/981805528.db2.gz SNIFFGTUXRAOJC-LSTHTHJFSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000448468037 981805533 /nfs/dbraw/zinc/80/55/33/981805533.db2.gz SNIFFGTUXRAOJC-LSTHTHJFSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448468036 981806010 /nfs/dbraw/zinc/80/60/10/981806010.db2.gz SNIFFGTUXRAOJC-FFZOFVMBSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448468036 981806023 /nfs/dbraw/zinc/80/60/23/981806023.db2.gz SNIFFGTUXRAOJC-FFZOFVMBSA-N 2 2 424.992 3.988 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000448473872 981815754 /nfs/dbraw/zinc/81/57/54/981815754.db2.gz NVMKMYCWPICQQF-WTIAFYNJSA-N 2 2 409.578 3.779 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000448473872 981815760 /nfs/dbraw/zinc/81/57/60/981815760.db2.gz NVMKMYCWPICQQF-WTIAFYNJSA-N 2 2 409.578 3.779 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557085 982189164 /nfs/dbraw/zinc/18/91/64/982189164.db2.gz JWHGLCUXBDKAIN-WMZOPIPTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557085 982189166 /nfs/dbraw/zinc/18/91/66/982189166.db2.gz JWHGLCUXBDKAIN-WMZOPIPTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)n2)C1 ZINC000437557085 982189169 /nfs/dbraw/zinc/18/91/69/982189169.db2.gz JWHGLCUXBDKAIN-WMZOPIPTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)n2)C1 ZINC000437557085 982189172 /nfs/dbraw/zinc/18/91/72/982189172.db2.gz JWHGLCUXBDKAIN-WMZOPIPTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557083 982189271 /nfs/dbraw/zinc/18/92/71/982189271.db2.gz JWHGLCUXBDKAIN-FUHWJXTLSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557083 982189273 /nfs/dbraw/zinc/18/92/73/982189273.db2.gz JWHGLCUXBDKAIN-FUHWJXTLSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)n2)C1 ZINC000437557083 982189276 /nfs/dbraw/zinc/18/92/76/982189276.db2.gz JWHGLCUXBDKAIN-FUHWJXTLSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)n2)C1 ZINC000437557083 982189278 /nfs/dbraw/zinc/18/92/78/982189278.db2.gz JWHGLCUXBDKAIN-FUHWJXTLSA-N 2 2 405.612 3.761 20 0 HHADLP C[NH+]1CCC(CNC(=O)CSc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460501639 982290255 /nfs/dbraw/zinc/29/02/55/982290255.db2.gz HBMWJEHKCRVCEY-UHFFFAOYSA-N 2 2 411.615 3.998 20 0 HHADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460502406 982291397 /nfs/dbraw/zinc/29/13/97/982291397.db2.gz IFPDUPOQLGBXMB-YPAWHYETSA-N 2 2 407.643 3.530 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000460503925 982292627 /nfs/dbraw/zinc/29/26/27/982292627.db2.gz NARWALKVFZVMEO-UXHICEINSA-N 2 2 423.523 3.875 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000437697762 982303775 /nfs/dbraw/zinc/30/37/75/982303775.db2.gz NEXYWYUEOUBYES-UHFFFAOYSA-N 2 2 410.562 3.755 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000437697762 982303790 /nfs/dbraw/zinc/30/37/90/982303790.db2.gz NEXYWYUEOUBYES-UHFFFAOYSA-N 2 2 410.562 3.755 20 0 HHADLP Cc1cnc(-c2cccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)o1 ZINC000438071331 982570731 /nfs/dbraw/zinc/57/07/31/982570731.db2.gz GQFJQNOFRAIRGW-UHFFFAOYSA-N 2 2 411.550 3.722 20 0 HHADLP CC(C)c1cnc(-c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)o1 ZINC000438511026 982851114 /nfs/dbraw/zinc/85/11/14/982851114.db2.gz UFVBRMFATZJVQR-UHFFFAOYSA-N 2 2 413.566 3.955 20 0 HHADLP CC(C)c1cnc(-c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)o1 ZINC000438511026 982851124 /nfs/dbraw/zinc/85/11/24/982851124.db2.gz UFVBRMFATZJVQR-UHFFFAOYSA-N 2 2 413.566 3.955 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461435521 983098496 /nfs/dbraw/zinc/09/84/96/983098496.db2.gz XVTUHUMYIHUMAG-FGZHOGPDSA-N 2 2 400.526 3.775 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461435521 983098501 /nfs/dbraw/zinc/09/85/01/983098501.db2.gz XVTUHUMYIHUMAG-FGZHOGPDSA-N 2 2 400.526 3.775 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000439089166 983245366 /nfs/dbraw/zinc/24/53/66/983245366.db2.gz RURYJXWCCXEIHM-IBGZPJMESA-N 2 2 410.562 3.517 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000440099864 983644320 /nfs/dbraw/zinc/64/43/20/983644320.db2.gz HYKPTGOLLHKFQB-AEFFLSMTSA-N 2 2 408.468 3.664 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000440698547 983858390 /nfs/dbraw/zinc/85/83/90/983858390.db2.gz ZJJRMXFBEXYJAZ-DEOSSOPVSA-N 2 2 422.598 3.856 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000441214328 984119287 /nfs/dbraw/zinc/11/92/87/984119287.db2.gz XTFQJDHNYYKGHU-HXUWFJFHSA-N 2 2 424.589 3.563 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000441214328 984119292 /nfs/dbraw/zinc/11/92/92/984119292.db2.gz XTFQJDHNYYKGHU-HXUWFJFHSA-N 2 2 424.589 3.563 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000441225220 984125190 /nfs/dbraw/zinc/12/51/90/984125190.db2.gz DUNYLRUESWPSIS-IBGZPJMESA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000441225220 984125191 /nfs/dbraw/zinc/12/51/91/984125191.db2.gz DUNYLRUESWPSIS-IBGZPJMESA-N 2 2 416.610 3.564 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257995 984142929 /nfs/dbraw/zinc/14/29/29/984142929.db2.gz PURGHAVBMFTJIF-QYZOEREBSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257995 984142932 /nfs/dbraw/zinc/14/29/32/984142932.db2.gz PURGHAVBMFTJIF-QYZOEREBSA-N 2 2 404.352 3.681 20 0 HHADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441355960 984204326 /nfs/dbraw/zinc/20/43/26/984204326.db2.gz LHGQPUVRANLYAZ-XMMPIXPASA-N 2 2 409.574 3.719 20 0 HHADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441355960 984204330 /nfs/dbraw/zinc/20/43/30/984204330.db2.gz LHGQPUVRANLYAZ-XMMPIXPASA-N 2 2 409.574 3.719 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)c(C)c1 ZINC000441387894 984224739 /nfs/dbraw/zinc/22/47/39/984224739.db2.gz SPXNNAZSVSQNBK-WIYYLYMNSA-N 2 2 405.502 3.568 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392062 984226640 /nfs/dbraw/zinc/22/66/40/984226640.db2.gz BZAWYTSNLNPZGN-HMFYCAOWSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392062 984226646 /nfs/dbraw/zinc/22/66/46/984226646.db2.gz BZAWYTSNLNPZGN-HMFYCAOWSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441392062 984226652 /nfs/dbraw/zinc/22/66/52/984226652.db2.gz BZAWYTSNLNPZGN-HMFYCAOWSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441392062 984226660 /nfs/dbraw/zinc/22/66/60/984226660.db2.gz BZAWYTSNLNPZGN-HMFYCAOWSA-N 2 2 419.997 3.514 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395068 984228475 /nfs/dbraw/zinc/22/84/75/984228475.db2.gz QNSVBCIRVOOYLP-XUZZJYLKSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395068 984228479 /nfs/dbraw/zinc/22/84/79/984228479.db2.gz QNSVBCIRVOOYLP-XUZZJYLKSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395068 984228485 /nfs/dbraw/zinc/22/84/85/984228485.db2.gz QNSVBCIRVOOYLP-XUZZJYLKSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395068 984228489 /nfs/dbraw/zinc/22/84/89/984228489.db2.gz QNSVBCIRVOOYLP-XUZZJYLKSA-N 2 2 407.558 3.757 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441405477 984234798 /nfs/dbraw/zinc/23/47/98/984234798.db2.gz BWMZSOHDFOBZLG-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441405477 984234801 /nfs/dbraw/zinc/23/48/01/984234801.db2.gz BWMZSOHDFOBZLG-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441405477 984234805 /nfs/dbraw/zinc/23/48/05/984234805.db2.gz BWMZSOHDFOBZLG-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441405477 984234810 /nfs/dbraw/zinc/23/48/10/984234810.db2.gz BWMZSOHDFOBZLG-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441421680 984242422 /nfs/dbraw/zinc/24/24/22/984242422.db2.gz YSTXEXBVEHKUCC-HVCNVCAESA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441421680 984242429 /nfs/dbraw/zinc/24/24/29/984242429.db2.gz YSTXEXBVEHKUCC-HVCNVCAESA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441421680 984242439 /nfs/dbraw/zinc/24/24/39/984242439.db2.gz YSTXEXBVEHKUCC-HVCNVCAESA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441421680 984242446 /nfs/dbraw/zinc/24/24/46/984242446.db2.gz YSTXEXBVEHKUCC-HVCNVCAESA-N 2 2 403.570 3.993 20 0 HHADLP CCC[NH+]1CCC(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000461798936 984786062 /nfs/dbraw/zinc/78/60/62/984786062.db2.gz UYESQUIRALVDRB-UHFFFAOYSA-N 2 2 412.544 3.682 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000462219808 985200247 /nfs/dbraw/zinc/20/02/47/985200247.db2.gz YCZROWWRPRNYOV-JXFKEZNVSA-N 2 2 404.555 3.578 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792471 985217471 /nfs/dbraw/zinc/21/74/71/985217471.db2.gz MKVKHLXNKPFLGI-IHPCNDPISA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792471 985217479 /nfs/dbraw/zinc/21/74/79/985217479.db2.gz MKVKHLXNKPFLGI-IHPCNDPISA-N 2 2 411.512 3.874 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255935 985241284 /nfs/dbraw/zinc/24/12/84/985241284.db2.gz RXJWQRYXJHRFEW-YOSAUDMPSA-N 2 2 422.573 3.722 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000443050791 985352666 /nfs/dbraw/zinc/35/26/66/985352666.db2.gz QMIVOPSFNHJAND-SGIRGMQISA-N 2 2 406.574 3.504 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000443050791 985352678 /nfs/dbraw/zinc/35/26/78/985352678.db2.gz QMIVOPSFNHJAND-SGIRGMQISA-N 2 2 406.574 3.504 20 0 HHADLP C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000443094212 985372046 /nfs/dbraw/zinc/37/20/46/985372046.db2.gz CJIVCGRDCAHREO-QGZVFWFLSA-N 2 2 409.509 3.821 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462610579 985553950 /nfs/dbraw/zinc/55/39/50/985553950.db2.gz CPRRPQFRXHFGHC-LEWJYISDSA-N 2 2 422.013 3.687 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462610579 985553957 /nfs/dbraw/zinc/55/39/57/985553957.db2.gz CPRRPQFRXHFGHC-LEWJYISDSA-N 2 2 422.013 3.687 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462617140 985560492 /nfs/dbraw/zinc/56/04/92/985560492.db2.gz NPKWJLWETPIIJJ-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462617140 985560496 /nfs/dbraw/zinc/56/04/96/985560496.db2.gz NPKWJLWETPIIJJ-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462741598 985682814 /nfs/dbraw/zinc/68/28/14/985682814.db2.gz FTBGXFXPWJSZJC-GOTSBHOMSA-N 2 2 423.605 3.687 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462741598 985682826 /nfs/dbraw/zinc/68/28/26/985682826.db2.gz FTBGXFXPWJSZJC-GOTSBHOMSA-N 2 2 423.605 3.687 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462741597 985683395 /nfs/dbraw/zinc/68/33/95/985683395.db2.gz FTBGXFXPWJSZJC-DHIUTWEWSA-N 2 2 423.605 3.687 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462741597 985683400 /nfs/dbraw/zinc/68/34/00/985683400.db2.gz FTBGXFXPWJSZJC-DHIUTWEWSA-N 2 2 423.605 3.687 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000463209177 986180387 /nfs/dbraw/zinc/18/03/87/986180387.db2.gz AIYSNPXFPHUXHI-SFHVURJKSA-N 2 2 400.592 3.788 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000463209177 986180391 /nfs/dbraw/zinc/18/03/91/986180391.db2.gz AIYSNPXFPHUXHI-SFHVURJKSA-N 2 2 400.592 3.788 20 0 HHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(Br)cc1 ZINC000463236780 986204625 /nfs/dbraw/zinc/20/46/25/986204625.db2.gz JMNHRWLAHIOMID-HNNXBMFYSA-N 2 2 423.317 3.607 20 0 HHADLP O[C@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC000463238711 986206664 /nfs/dbraw/zinc/20/66/64/986206664.db2.gz QKJOBDCEWOQPBR-PMACEKPBSA-N 2 2 402.476 3.906 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000468547565 986253853 /nfs/dbraw/zinc/25/38/53/986253853.db2.gz JYTNVOOTNUOWNQ-HXUWFJFHSA-N 2 2 413.635 3.554 20 0 HHADLP Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000468714297 986428897 /nfs/dbraw/zinc/42/88/97/986428897.db2.gz MEDSKTVKXXPATP-QHCPKHFHSA-N 2 2 420.557 3.632 20 0 HHADLP Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000468714297 986428903 /nfs/dbraw/zinc/42/89/03/986428903.db2.gz MEDSKTVKXXPATP-QHCPKHFHSA-N 2 2 420.557 3.632 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000444345530 986526732 /nfs/dbraw/zinc/52/67/32/986526732.db2.gz RXUAPBJQNRVGBA-VGOFRKELSA-N 2 2 421.545 3.852 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)CC2)cs1 ZINC000468917801 986624337 /nfs/dbraw/zinc/62/43/37/986624337.db2.gz IFMUTYPMMCEENE-HXUWFJFHSA-N 2 2 414.575 3.687 20 0 HHADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463718027 986703760 /nfs/dbraw/zinc/70/37/60/986703760.db2.gz XUPDAXFHJGDYMU-UHFFFAOYSA-N 2 2 418.545 3.877 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000463768649 986759690 /nfs/dbraw/zinc/75/96/90/986759690.db2.gz IOLFMJCXKWZSBB-UHFFFAOYSA-N 2 2 411.512 3.705 20 0 HHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444800278 986955308 /nfs/dbraw/zinc/95/53/08/986955308.db2.gz UNZRLZBQPCBSNA-DENIHFKCSA-N 2 2 404.514 3.988 20 0 HHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444800278 986955317 /nfs/dbraw/zinc/95/53/17/986955317.db2.gz UNZRLZBQPCBSNA-DENIHFKCSA-N 2 2 404.514 3.988 20 0 HHADLP CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469532056 987207123 /nfs/dbraw/zinc/20/71/23/987207123.db2.gz ZBDVAFJCIVPFGZ-UHFFFAOYSA-N 2 2 423.565 3.788 20 0 HHADLP CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469532056 987207128 /nfs/dbraw/zinc/20/71/28/987207128.db2.gz ZBDVAFJCIVPFGZ-UHFFFAOYSA-N 2 2 423.565 3.788 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000469745244 987395549 /nfs/dbraw/zinc/39/55/49/987395549.db2.gz PHWOSSQLCPPVHZ-MZYLBHOOSA-N 2 2 409.578 3.949 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469759223 987412778 /nfs/dbraw/zinc/41/27/78/987412778.db2.gz XDMZEEWXCZUTLS-OPAMFIHVSA-N 2 2 410.468 3.992 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000469766600 987419153 /nfs/dbraw/zinc/41/91/53/987419153.db2.gz CWOZVQHSPISWNI-NPHXMPSESA-N 2 2 400.588 3.597 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000469766600 987419156 /nfs/dbraw/zinc/41/91/56/987419156.db2.gz CWOZVQHSPISWNI-NPHXMPSESA-N 2 2 400.588 3.597 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469767675 987419926 /nfs/dbraw/zinc/41/99/26/987419926.db2.gz ZLSAEEBJPBVYDK-HROJSSOGSA-N 2 2 423.557 3.548 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469767675 987419927 /nfs/dbraw/zinc/41/99/27/987419927.db2.gz ZLSAEEBJPBVYDK-HROJSSOGSA-N 2 2 423.557 3.548 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000469768317 987420958 /nfs/dbraw/zinc/42/09/58/987420958.db2.gz IVBAFTISFIKORU-BXWFABGCSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000469768317 987420960 /nfs/dbraw/zinc/42/09/60/987420960.db2.gz IVBAFTISFIKORU-BXWFABGCSA-N 2 2 415.500 3.759 20 0 HHADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000469793671 987437431 /nfs/dbraw/zinc/43/74/31/987437431.db2.gz IEJLIQCQNFYFFT-ZWKOTPCHSA-N 2 2 410.653 3.967 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000470102504 988004140 /nfs/dbraw/zinc/00/41/40/988004140.db2.gz CCFBZPTUHMVJRZ-KBPBESRZSA-N 2 2 403.162 3.510 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000470102504 988004154 /nfs/dbraw/zinc/00/41/54/988004154.db2.gz CCFBZPTUHMVJRZ-KBPBESRZSA-N 2 2 403.162 3.510 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000470288962 988246833 /nfs/dbraw/zinc/24/68/33/988246833.db2.gz VEIGJEHDLZZTAJ-DOTOQJQBSA-N 2 2 409.456 3.620 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464318575 988450868 /nfs/dbraw/zinc/45/08/68/988450868.db2.gz MLZWWRUUWVZFEG-DNQXCXABSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464318575 988450874 /nfs/dbraw/zinc/45/08/74/988450874.db2.gz MLZWWRUUWVZFEG-DNQXCXABSA-N 2 2 421.589 3.553 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000470491816 988483363 /nfs/dbraw/zinc/48/33/63/988483363.db2.gz AVUJCROVLAQBKN-IBGZPJMESA-N 2 2 421.589 3.667 20 0 HHADLP CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898543 988973112 /nfs/dbraw/zinc/97/31/12/988973112.db2.gz DLGVLONMCOYVMM-HSZRJFAPSA-N 2 2 403.530 3.678 20 0 HHADLP CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898543 988973118 /nfs/dbraw/zinc/97/31/18/988973118.db2.gz DLGVLONMCOYVMM-HSZRJFAPSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938103 989006496 /nfs/dbraw/zinc/00/64/96/989006496.db2.gz SGHFZGNZIKZOHB-QGPMSJSTSA-N 2 2 417.903 3.866 20 0 HHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938103 989006505 /nfs/dbraw/zinc/00/65/05/989006505.db2.gz SGHFZGNZIKZOHB-QGPMSJSTSA-N 2 2 417.903 3.866 20 0 HHADLP CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804386 989034099 /nfs/dbraw/zinc/03/40/99/989034099.db2.gz FCTXDUNTJFMJEB-UHFFFAOYSA-N 2 2 421.010 3.993 20 0 HHADLP CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804386 989034103 /nfs/dbraw/zinc/03/41/03/989034103.db2.gz FCTXDUNTJFMJEB-UHFFFAOYSA-N 2 2 421.010 3.993 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844621 989093093 /nfs/dbraw/zinc/09/30/93/989093093.db2.gz BPGGWNXJLZDXRU-IRLDBZIGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844621 989093103 /nfs/dbraw/zinc/09/31/03/989093103.db2.gz BPGGWNXJLZDXRU-IRLDBZIGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844621 989093116 /nfs/dbraw/zinc/09/31/16/989093116.db2.gz BPGGWNXJLZDXRU-IRLDBZIGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844621 989093124 /nfs/dbraw/zinc/09/31/24/989093124.db2.gz BPGGWNXJLZDXRU-IRLDBZIGSA-N 2 2 418.585 3.669 20 0 HHADLP CN(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851595 989104039 /nfs/dbraw/zinc/10/40/39/989104039.db2.gz QANVVRUKIKTCGD-WIOPSUGQSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851595 989104044 /nfs/dbraw/zinc/10/40/44/989104044.db2.gz QANVVRUKIKTCGD-WIOPSUGQSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851595 989104048 /nfs/dbraw/zinc/10/40/48/989104048.db2.gz QANVVRUKIKTCGD-WIOPSUGQSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851595 989104051 /nfs/dbraw/zinc/10/40/51/989104051.db2.gz QANVVRUKIKTCGD-WIOPSUGQSA-N 2 2 405.586 3.976 20 0 HHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000471180819 989310981 /nfs/dbraw/zinc/31/09/81/989310981.db2.gz BCSFDYAUZPKFOD-GOSISDBHSA-N 2 2 413.587 3.963 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000471180819 989310989 /nfs/dbraw/zinc/31/09/89/989310989.db2.gz BCSFDYAUZPKFOD-GOSISDBHSA-N 2 2 413.587 3.963 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(Oc3ccccc3)ccn2)([NH+]2CCCCC2)CC1 ZINC000465154205 989484106 /nfs/dbraw/zinc/48/41/06/989484106.db2.gz AGDNFEVHHLDRTD-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471381660 989560662 /nfs/dbraw/zinc/56/06/62/989560662.db2.gz XOSMWEGFPCNBJG-UHFFFAOYSA-N 2 2 406.574 3.595 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471381660 989560668 /nfs/dbraw/zinc/56/06/68/989560668.db2.gz XOSMWEGFPCNBJG-UHFFFAOYSA-N 2 2 406.574 3.595 20 0 HHADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000471527711 989727260 /nfs/dbraw/zinc/72/72/60/989727260.db2.gz CPELZJQLQGUPRS-PMACEKPBSA-N 2 2 418.582 3.564 20 0 HHADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000471527711 989727267 /nfs/dbraw/zinc/72/72/67/989727267.db2.gz CPELZJQLQGUPRS-PMACEKPBSA-N 2 2 418.582 3.564 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000465526158 989883689 /nfs/dbraw/zinc/88/36/89/989883689.db2.gz OBYBZIQAXRGTPY-PMACEKPBSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000465526158 989883705 /nfs/dbraw/zinc/88/37/05/989883705.db2.gz OBYBZIQAXRGTPY-PMACEKPBSA-N 2 2 401.599 3.592 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465538413 989901795 /nfs/dbraw/zinc/90/17/95/989901795.db2.gz DUAXZRQFENLYMP-LJQANCHMSA-N 2 2 421.948 3.901 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554331 989917350 /nfs/dbraw/zinc/91/73/50/989917350.db2.gz XIZZFQIGXBHEEK-XLIONFOSSA-N 2 2 424.992 3.989 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554331 989917352 /nfs/dbraw/zinc/91/73/52/989917352.db2.gz XIZZFQIGXBHEEK-XLIONFOSSA-N 2 2 424.992 3.989 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000465649739 990036328 /nfs/dbraw/zinc/03/63/28/990036328.db2.gz CWLGMVLEXGOLDV-UHFFFAOYSA-N 2 2 408.590 3.632 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000465811419 990194303 /nfs/dbraw/zinc/19/43/03/990194303.db2.gz LAURJRSDOFWRSF-QHCPKHFHSA-N 2 2 423.605 3.941 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882858 991003159 /nfs/dbraw/zinc/00/31/59/991003159.db2.gz XTDRRSQEIQORAU-RTBURBONSA-N 2 2 410.965 3.569 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882858 991003162 /nfs/dbraw/zinc/00/31/62/991003162.db2.gz XTDRRSQEIQORAU-RTBURBONSA-N 2 2 410.965 3.569 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466004601 991169228 /nfs/dbraw/zinc/16/92/28/991169228.db2.gz FFGPWEXSJNCMRY-UHFFFAOYSA-N 2 2 403.958 3.543 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000466004601 991169233 /nfs/dbraw/zinc/16/92/33/991169233.db2.gz FFGPWEXSJNCMRY-UHFFFAOYSA-N 2 2 403.958 3.543 20 0 HHADLP CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466029309 991199787 /nfs/dbraw/zinc/19/97/87/991199787.db2.gz ZMCYYRGGAUZFRQ-OAQYLSRUSA-N 2 2 421.029 3.911 20 0 HHADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466136597 991317001 /nfs/dbraw/zinc/31/70/01/991317001.db2.gz DHMBFOJEWILQDD-JOCHJYFZSA-N 2 2 418.601 3.642 20 0 HHADLP CC(C)OCc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466136857 991317825 /nfs/dbraw/zinc/31/78/25/991317825.db2.gz FVGQGBUURGJMSI-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[C@H]1c1ccccc1 ZINC000466155385 991341607 /nfs/dbraw/zinc/34/16/07/991341607.db2.gz WZOGCTHJBMIIDK-FYYLOGMGSA-N 2 2 412.622 3.772 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(-c3nccs3)cc2)([NH+]2CCCCC2)CC1 ZINC000466157061 991344381 /nfs/dbraw/zinc/34/43/81/991344381.db2.gz JPESCEZSRHXMRF-UHFFFAOYSA-N 2 2 413.591 3.882 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466157889 991345438 /nfs/dbraw/zinc/34/54/38/991345438.db2.gz OOEYGAVVFUSOGY-FCHUYYIVSA-N 2 2 412.622 3.833 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Br)c1 ZINC000466159187 991347621 /nfs/dbraw/zinc/34/76/21/991347621.db2.gz ULTVRQMUMVKOFL-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP Brc1cncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000466462896 991754162 /nfs/dbraw/zinc/75/41/62/991754162.db2.gz DPIJKQXVILTTSE-UHFFFAOYSA-N 2 2 417.395 3.532 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801992 992110599 /nfs/dbraw/zinc/11/05/99/992110599.db2.gz OFDGZVDWNOVOAQ-XMMPIXPASA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801992 992110607 /nfs/dbraw/zinc/11/06/07/992110607.db2.gz OFDGZVDWNOVOAQ-XMMPIXPASA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801992 992110615 /nfs/dbraw/zinc/11/06/15/992110615.db2.gz OFDGZVDWNOVOAQ-XMMPIXPASA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801992 992110619 /nfs/dbraw/zinc/11/06/19/992110619.db2.gz OFDGZVDWNOVOAQ-XMMPIXPASA-N 2 2 405.546 3.872 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466879619 992200878 /nfs/dbraw/zinc/20/08/78/992200878.db2.gz ABJWIUUVPZHMPI-VXKWHMMOSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466879619 992200887 /nfs/dbraw/zinc/20/08/87/992200887.db2.gz ABJWIUUVPZHMPI-VXKWHMMOSA-N 2 2 411.594 3.647 20 0 HHADLP Cc1ccc(-n2cc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cn2)c(C)c1 ZINC000466938033 992248593 /nfs/dbraw/zinc/24/85/93/992248593.db2.gz KLFRAMGDWPTXCW-UHFFFAOYSA-N 2 2 424.593 3.561 20 0 HHADLP CC[C@H](Cc1ccccc1Br)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467114650 992427510 /nfs/dbraw/zinc/42/75/10/992427510.db2.gz ZBVYUWUKEFJERW-QGZVFWFLSA-N 2 2 424.427 3.502 20 0 HHADLP CC[C@H](Cc1ccccc1Br)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467114650 992427532 /nfs/dbraw/zinc/42/75/32/992427532.db2.gz ZBVYUWUKEFJERW-QGZVFWFLSA-N 2 2 424.427 3.502 20 0 HHADLP Ic1cccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000467133966 992450720 /nfs/dbraw/zinc/45/07/20/992450720.db2.gz POTFLXQPMAKRGY-UHFFFAOYSA-N 2 2 411.287 3.663 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202872 992528108 /nfs/dbraw/zinc/52/81/08/992528108.db2.gz SJTVNEBCUSTXNI-GOTSBHOMSA-N 2 2 412.622 3.798 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202872 992528117 /nfs/dbraw/zinc/52/81/17/992528117.db2.gz SJTVNEBCUSTXNI-GOTSBHOMSA-N 2 2 412.622 3.798 20 0 HHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467210206 992534764 /nfs/dbraw/zinc/53/47/64/992534764.db2.gz CIPDIBAYBVMGJR-OAHLLOKOSA-N 2 2 414.377 3.897 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cc4ccccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000467279343 992601077 /nfs/dbraw/zinc/60/10/77/992601077.db2.gz RBZYCDAZLJRWJQ-SFHVURJKSA-N 2 2 421.545 3.654 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483593 992773217 /nfs/dbraw/zinc/77/32/17/992773217.db2.gz PJAVOJVRUXJQTJ-YOSAUDMPSA-N 2 2 422.573 3.864 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483593 992773224 /nfs/dbraw/zinc/77/32/24/992773224.db2.gz PJAVOJVRUXJQTJ-YOSAUDMPSA-N 2 2 422.573 3.864 20 0 HHADLP CCOc1c(Cl)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000467766979 993009000 /nfs/dbraw/zinc/00/90/00/993009000.db2.gz BYHVFSLBTCLEAX-UHFFFAOYSA-N 2 2 417.381 3.882 20 0 HHADLP CCOc1c(Cl)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000467766979 993009009 /nfs/dbraw/zinc/00/90/09/993009009.db2.gz BYHVFSLBTCLEAX-UHFFFAOYSA-N 2 2 417.381 3.882 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849987 993081799 /nfs/dbraw/zinc/08/17/99/993081799.db2.gz IDJRKBINUVOEAT-SCWSEQNSSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849987 993081808 /nfs/dbraw/zinc/08/18/08/993081808.db2.gz IDJRKBINUVOEAT-SCWSEQNSSA-N 2 2 403.364 3.983 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300682 993314154 /nfs/dbraw/zinc/31/41/54/993314154.db2.gz ZCHPVQFPIYGLKR-NIVCPKKUSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300682 993314160 /nfs/dbraw/zinc/31/41/60/993314160.db2.gz ZCHPVQFPIYGLKR-NIVCPKKUSA-N 2 2 422.658 3.560 20 0 HHADLP Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000472341368 993347798 /nfs/dbraw/zinc/34/77/98/993347798.db2.gz RFDRWSZBNLYXAQ-JOCHJYFZSA-N 2 2 412.603 3.740 20 0 HHADLP Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000472341368 993347800 /nfs/dbraw/zinc/34/78/00/993347800.db2.gz RFDRWSZBNLYXAQ-JOCHJYFZSA-N 2 2 412.603 3.740 20 0 HHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756792 993623041 /nfs/dbraw/zinc/62/30/41/993623041.db2.gz AFXHLPXJUZVYFS-HTAPYJJXSA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756792 993623047 /nfs/dbraw/zinc/62/30/47/993623047.db2.gz AFXHLPXJUZVYFS-HTAPYJJXSA-N 2 2 401.576 3.619 20 0 HHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000480821877 993698217 /nfs/dbraw/zinc/69/82/17/993698217.db2.gz BMIQVDJOGXTDCG-YADARESESA-N 2 2 424.589 3.630 20 0 HHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000480821877 993698228 /nfs/dbraw/zinc/69/82/28/993698228.db2.gz BMIQVDJOGXTDCG-YADARESESA-N 2 2 424.589 3.630 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907893 993764309 /nfs/dbraw/zinc/76/43/09/993764309.db2.gz KONQLLXWQXNYFL-CVDCTZTESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907893 993764319 /nfs/dbraw/zinc/76/43/19/993764319.db2.gz KONQLLXWQXNYFL-CVDCTZTESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163598 993995741 /nfs/dbraw/zinc/99/57/41/993995741.db2.gz AJJMLRGTLQGJOJ-NFBKMPQASA-N 2 2 421.589 3.511 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163598 993995750 /nfs/dbraw/zinc/99/57/50/993995750.db2.gz AJJMLRGTLQGJOJ-NFBKMPQASA-N 2 2 421.589 3.511 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190311 994021900 /nfs/dbraw/zinc/02/19/00/994021900.db2.gz LGOUMMFBBBUPLH-UFZKEIKQSA-N 2 2 409.618 3.960 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190311 994021912 /nfs/dbraw/zinc/02/19/12/994021912.db2.gz LGOUMMFBBBUPLH-UFZKEIKQSA-N 2 2 409.618 3.960 20 0 HHADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccc1SC ZINC000481197805 994031221 /nfs/dbraw/zinc/03/12/21/994031221.db2.gz AIEGUNDMVSZMSY-GOSISDBHSA-N 2 2 416.587 3.979 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000481423083 994257517 /nfs/dbraw/zinc/25/75/17/994257517.db2.gz VEDOEYVWGBLVAC-MRXNPFEDSA-N 2 2 424.463 3.989 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC2(c3ccccc3Cl)CC2)([NH+]2CCCCC2)CC1 ZINC000481458157 994293812 /nfs/dbraw/zinc/29/38/12/994293812.db2.gz YSYZHMXOHKVOMP-UHFFFAOYSA-N 2 2 419.013 3.621 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550194 994382896 /nfs/dbraw/zinc/38/28/96/994382896.db2.gz ZYVZLTQWYURWIY-ZWKOTPCHSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550194 994382904 /nfs/dbraw/zinc/38/29/04/994382904.db2.gz ZYVZLTQWYURWIY-ZWKOTPCHSA-N 2 2 423.536 3.786 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(Cc3ccccc3Cl)CC2)([NH+]2CCCCC2)CC1 ZINC000473891359 994844207 /nfs/dbraw/zinc/84/42/07/994844207.db2.gz ABTHYIDDEBOPGB-UHFFFAOYSA-N 2 2 403.998 3.729 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000481997807 994898889 /nfs/dbraw/zinc/89/88/89/994898889.db2.gz ACWMLDNWALLQOD-QWHCGFSZSA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000481997807 994898897 /nfs/dbraw/zinc/89/88/97/994898897.db2.gz ACWMLDNWALLQOD-QWHCGFSZSA-N 2 2 420.722 3.670 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024794 994939895 /nfs/dbraw/zinc/93/98/95/994939895.db2.gz HCMWIIIXDPJPFO-CZUORRHYSA-N 2 2 403.901 3.535 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024794 994939911 /nfs/dbraw/zinc/93/99/11/994939911.db2.gz HCMWIIIXDPJPFO-CZUORRHYSA-N 2 2 403.901 3.535 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC ZINC000473995362 994983802 /nfs/dbraw/zinc/98/38/02/994983802.db2.gz ZXYXSOWNBHRYMF-UHFFFAOYSA-N 2 2 415.538 3.550 20 0 HHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482107799 995054779 /nfs/dbraw/zinc/05/47/79/995054779.db2.gz GALJTWVADFIDNZ-MRXNPFEDSA-N 2 2 415.607 3.534 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)o2)cc1 ZINC000482218599 995203604 /nfs/dbraw/zinc/20/36/04/995203604.db2.gz YZPXGMAEZJMQES-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP Cc1ccccc1-n1nccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000474278607 995274546 /nfs/dbraw/zinc/27/45/46/995274546.db2.gz XAJNNPMFDIQZIM-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP Cc1ccccc1-n1nccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000474278607 995274556 /nfs/dbraw/zinc/27/45/56/995274556.db2.gz XAJNNPMFDIQZIM-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)[NH+](C)C)cc1 ZINC000474399205 995369940 /nfs/dbraw/zinc/36/99/40/995369940.db2.gz YCUJYOMKLNMPSI-OAQYLSRUSA-N 2 2 400.473 3.604 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438181 995431959 /nfs/dbraw/zinc/43/19/59/995431959.db2.gz LWQDJKGEGUDQPE-WIYYLYMNSA-N 2 2 407.537 3.930 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438181 995431964 /nfs/dbraw/zinc/43/19/64/995431964.db2.gz LWQDJKGEGUDQPE-WIYYLYMNSA-N 2 2 407.537 3.930 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474644041 995588829 /nfs/dbraw/zinc/58/88/29/995588829.db2.gz KKIYODUUQUVGKD-XRSZAFJQSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474644041 995588834 /nfs/dbraw/zinc/58/88/34/995588834.db2.gz KKIYODUUQUVGKD-XRSZAFJQSA-N 2 2 424.511 3.555 20 0 HHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709811 995698009 /nfs/dbraw/zinc/69/80/09/995698009.db2.gz TVTUSVMANZISNF-OFNKIYASSA-N 2 2 422.573 3.657 20 0 HHADLP CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482715525 995702233 /nfs/dbraw/zinc/70/22/33/995702233.db2.gz LJKBEOKYECYGPS-UHFFFAOYSA-N 2 2 416.569 3.892 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000482730622 995712650 /nfs/dbraw/zinc/71/26/50/995712650.db2.gz CRVIIAPNFFTFHR-IBGZPJMESA-N 2 2 413.566 3.627 20 0 HHADLP COC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013084 995870002 /nfs/dbraw/zinc/87/00/02/995870002.db2.gz IHJFSFUHLFXFMI-KVUYCSOJSA-N 2 2 422.658 3.560 20 0 HHADLP COC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013084 995870009 /nfs/dbraw/zinc/87/00/09/995870009.db2.gz IHJFSFUHLFXFMI-KVUYCSOJSA-N 2 2 422.658 3.560 20 0 HHADLP COc1cccc(C=C2CC[NH+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000475041552 995887563 /nfs/dbraw/zinc/88/75/63/995887563.db2.gz YXPCKIQAEXUIQM-XMMPIXPASA-N 2 2 407.558 3.594 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000482985054 995901902 /nfs/dbraw/zinc/90/19/02/995901902.db2.gz BSEDGORNQVWXTL-NRFANRHFSA-N 2 2 409.578 3.935 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121724 995988685 /nfs/dbraw/zinc/98/86/85/995988685.db2.gz QJXVCCLCPGFAHA-CVDCTZTESA-N 2 2 413.587 3.542 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121724 995988688 /nfs/dbraw/zinc/98/86/88/995988688.db2.gz QJXVCCLCPGFAHA-CVDCTZTESA-N 2 2 413.587 3.542 20 0 HHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000483231984 996050505 /nfs/dbraw/zinc/05/05/05/996050505.db2.gz SCRZKALVONEIJQ-UHFFFAOYSA-N 2 2 402.498 3.665 20 0 HHADLP C[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000483267035 996070996 /nfs/dbraw/zinc/07/09/96/996070996.db2.gz WVWLBBXUCKMAII-NZQKXSOJSA-N 2 2 408.590 3.544 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269935 996072494 /nfs/dbraw/zinc/07/24/94/996072494.db2.gz OILFJOSHFKUXAZ-ZEQRLZLVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269935 996072498 /nfs/dbraw/zinc/07/24/98/996072498.db2.gz OILFJOSHFKUXAZ-ZEQRLZLVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000483269935 996072502 /nfs/dbraw/zinc/07/25/02/996072502.db2.gz OILFJOSHFKUXAZ-ZEQRLZLVSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000483269935 996072505 /nfs/dbraw/zinc/07/25/05/996072505.db2.gz OILFJOSHFKUXAZ-ZEQRLZLVSA-N 2 2 408.590 3.651 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000475428034 996131579 /nfs/dbraw/zinc/13/15/79/996131579.db2.gz JHYUSYFBZRYZQW-HNNXBMFYSA-N 2 2 418.513 3.713 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000475428034 996131586 /nfs/dbraw/zinc/13/15/86/996131586.db2.gz JHYUSYFBZRYZQW-HNNXBMFYSA-N 2 2 418.513 3.713 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(Br)c3)CC2)CC1 ZINC000483382672 996141039 /nfs/dbraw/zinc/14/10/39/996141039.db2.gz ISVWGOXOVBNVPY-QGZVFWFLSA-N 2 2 422.411 3.776 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475488699 996173468 /nfs/dbraw/zinc/17/34/68/996173468.db2.gz WWKHEENHXFJMER-GOTSBHOMSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475488699 996173473 /nfs/dbraw/zinc/17/34/73/996173473.db2.gz WWKHEENHXFJMER-GOTSBHOMSA-N 2 2 418.601 3.737 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)C2 ZINC000475519190 996197213 /nfs/dbraw/zinc/19/72/13/996197213.db2.gz FRISXZSEAWQGFN-OAQYLSRUSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)C2 ZINC000475519190 996197217 /nfs/dbraw/zinc/19/72/17/996197217.db2.gz FRISXZSEAWQGFN-OAQYLSRUSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)CC2 ZINC000475519190 996197219 /nfs/dbraw/zinc/19/72/19/996197219.db2.gz FRISXZSEAWQGFN-OAQYLSRUSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)CC2 ZINC000475519190 996197221 /nfs/dbraw/zinc/19/72/21/996197221.db2.gz FRISXZSEAWQGFN-OAQYLSRUSA-N 2 2 408.590 3.805 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483540606 996240596 /nfs/dbraw/zinc/24/05/96/996240596.db2.gz DNAHBXPZGAYQPN-UHFFFAOYSA-N 2 2 405.502 3.600 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000483540606 996240601 /nfs/dbraw/zinc/24/06/01/996240601.db2.gz DNAHBXPZGAYQPN-UHFFFAOYSA-N 2 2 405.502 3.600 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639073 996301852 /nfs/dbraw/zinc/30/18/52/996301852.db2.gz OAUSQKSRQZILDM-FQEVSTJZSA-N 2 2 400.611 3.554 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639073 996301860 /nfs/dbraw/zinc/30/18/60/996301860.db2.gz OAUSQKSRQZILDM-FQEVSTJZSA-N 2 2 400.611 3.554 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732731 996331562 /nfs/dbraw/zinc/33/15/62/996331562.db2.gz RCOQVJONAYFMJR-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732731 996331573 /nfs/dbraw/zinc/33/15/73/996331573.db2.gz RCOQVJONAYFMJR-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475732731 996331580 /nfs/dbraw/zinc/33/15/80/996331580.db2.gz RCOQVJONAYFMJR-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475732731 996331588 /nfs/dbraw/zinc/33/15/88/996331588.db2.gz RCOQVJONAYFMJR-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475819745 996391942 /nfs/dbraw/zinc/39/19/42/996391942.db2.gz SXKQQQFURQUMMI-ZEQRLZLVSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475819745 996391947 /nfs/dbraw/zinc/39/19/47/996391947.db2.gz SXKQQQFURQUMMI-ZEQRLZLVSA-N 2 2 408.590 3.573 20 0 HHADLP Cc1coc(-c2ccc(C)c(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000483896449 996455597 /nfs/dbraw/zinc/45/55/97/996455597.db2.gz JNWJVVBYQZBXCA-UHFFFAOYSA-N 2 2 411.550 3.639 20 0 HHADLP COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC000483951515 996486945 /nfs/dbraw/zinc/48/69/45/996486945.db2.gz GEPZPOLTIJAQTF-UHFFFAOYSA-N 2 2 406.530 3.910 20 0 HHADLP COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC000483951515 996486953 /nfs/dbraw/zinc/48/69/53/996486953.db2.gz GEPZPOLTIJAQTF-UHFFFAOYSA-N 2 2 406.530 3.910 20 0 HHADLP COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC000483985164 996506337 /nfs/dbraw/zinc/50/63/37/996506337.db2.gz PVJGVSXYEALCPD-UHFFFAOYSA-N 2 2 418.541 3.718 20 0 HHADLP CC[N@H+](CCC(=O)Nc1cccnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000484071260 996554097 /nfs/dbraw/zinc/55/40/97/996554097.db2.gz MUCKRNDTNRPKQN-UHFFFAOYSA-N 2 2 410.566 3.623 20 0 HHADLP CC[N@@H+](CCC(=O)Nc1cccnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000484071260 996554102 /nfs/dbraw/zinc/55/41/02/996554102.db2.gz MUCKRNDTNRPKQN-UHFFFAOYSA-N 2 2 410.566 3.623 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137406 996592024 /nfs/dbraw/zinc/59/20/24/996592024.db2.gz DJYCEWKHEULTJY-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137406 996592028 /nfs/dbraw/zinc/59/20/28/996592028.db2.gz DJYCEWKHEULTJY-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141198 996594809 /nfs/dbraw/zinc/59/48/09/996594809.db2.gz WIJYRXKOJLBMQD-OPAMFIHVSA-N 2 2 404.938 3.645 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141198 996594815 /nfs/dbraw/zinc/59/48/15/996594815.db2.gz WIJYRXKOJLBMQD-OPAMFIHVSA-N 2 2 404.938 3.645 20 0 HHADLP COC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170004 996613687 /nfs/dbraw/zinc/61/36/87/996613687.db2.gz CWWLKSPERWXKSD-LEWJYISDSA-N 2 2 408.464 3.620 20 0 HHADLP COC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170004 996613691 /nfs/dbraw/zinc/61/36/91/996613691.db2.gz CWWLKSPERWXKSD-LEWJYISDSA-N 2 2 408.464 3.620 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170659 996614591 /nfs/dbraw/zinc/61/45/91/996614591.db2.gz TVYMQMUXOQVZJE-UUOWRZLLSA-N 2 2 408.521 3.607 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170659 996614607 /nfs/dbraw/zinc/61/46/07/996614607.db2.gz TVYMQMUXOQVZJE-UUOWRZLLSA-N 2 2 408.521 3.607 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000484276473 996674063 /nfs/dbraw/zinc/67/40/63/996674063.db2.gz PJYGBOVGPUIUDX-BBTUJRGHSA-N 2 2 416.587 3.802 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000484276473 996674065 /nfs/dbraw/zinc/67/40/65/996674065.db2.gz PJYGBOVGPUIUDX-BBTUJRGHSA-N 2 2 416.587 3.802 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476473525 996951071 /nfs/dbraw/zinc/95/10/71/996951071.db2.gz URZUQJKGRBJZOJ-NHCUHLMSSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476473525 996951083 /nfs/dbraw/zinc/95/10/83/996951083.db2.gz URZUQJKGRBJZOJ-NHCUHLMSSA-N 2 2 401.526 3.981 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000476816527 997372920 /nfs/dbraw/zinc/37/29/20/997372920.db2.gz DYUWDEJLUYYNSJ-OAHLLOKOSA-N 2 2 401.473 3.511 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982600 997604803 /nfs/dbraw/zinc/60/48/03/997604803.db2.gz RYTGJUBREMNEGH-UIFIKXQLSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982600 997604808 /nfs/dbraw/zinc/60/48/08/997604808.db2.gz RYTGJUBREMNEGH-UIFIKXQLSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000485281479 997677355 /nfs/dbraw/zinc/67/73/55/997677355.db2.gz DSSOAKARZAEVJR-UHFFFAOYSA-N 2 2 402.502 3.637 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295589 997700202 /nfs/dbraw/zinc/70/02/02/997700202.db2.gz QSQVHBITTYLMHZ-NFBKMPQASA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295589 997700215 /nfs/dbraw/zinc/70/02/15/997700215.db2.gz QSQVHBITTYLMHZ-NFBKMPQASA-N 2 2 423.605 3.816 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251376 997926556 /nfs/dbraw/zinc/92/65/56/997926556.db2.gz PNMJBASLLMLYBZ-XLIONFOSSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251376 997926569 /nfs/dbraw/zinc/92/65/69/997926569.db2.gz PNMJBASLLMLYBZ-XLIONFOSSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251376 997926582 /nfs/dbraw/zinc/92/65/82/997926582.db2.gz PNMJBASLLMLYBZ-XLIONFOSSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251376 997926594 /nfs/dbraw/zinc/92/65/94/997926594.db2.gz PNMJBASLLMLYBZ-XLIONFOSSA-N 2 2 424.992 3.863 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4cccc(Cl)c4)CCCC3)CC2)CC1 ZINC000485497326 997951735 /nfs/dbraw/zinc/95/17/35/997951735.db2.gz RLUGVEZGJFALAV-UHFFFAOYSA-N 2 2 419.013 3.967 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485839596 998305072 /nfs/dbraw/zinc/30/50/72/998305072.db2.gz BPZRCZZARHDGHZ-SFHVURJKSA-N 2 2 408.571 3.600 20 0 HHADLP Cc1cccc(N2CCC(Nc3cc[nH+]c(N[C@H]4CCCO[C@@H]4C(C)C)n3)CC2)[nH+]1 ZINC000485957267 998398121 /nfs/dbraw/zinc/39/81/21/998398121.db2.gz URAWDVYQCFHGTK-SIKLNZKXSA-N 2 2 410.566 3.876 20 0 HHADLP Cc1cccc(N2CCC(Nc3cc[nH+]c(N[C@H]4CCCO[C@H]4C(C)C)n3)CC2)[nH+]1 ZINC000485957268 998398425 /nfs/dbraw/zinc/39/84/25/998398425.db2.gz URAWDVYQCFHGTK-UGKGYDQZSA-N 2 2 410.566 3.876 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000485973966 998416408 /nfs/dbraw/zinc/41/64/08/998416408.db2.gz DZUVBNLNIQKBLT-CTNGQTDRSA-N 2 2 401.530 3.905 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486243635 998671451 /nfs/dbraw/zinc/67/14/51/998671451.db2.gz JTEVSGWCHWORNI-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486243635 998671453 /nfs/dbraw/zinc/67/14/53/998671453.db2.gz JTEVSGWCHWORNI-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000478027520 998721408 /nfs/dbraw/zinc/72/14/08/998721408.db2.gz RAKBFCGOBOHPAQ-FQEVSTJZSA-N 2 2 401.938 3.631 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000478027520 998721415 /nfs/dbraw/zinc/72/14/15/998721415.db2.gz RAKBFCGOBOHPAQ-FQEVSTJZSA-N 2 2 401.938 3.631 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000478254801 998848426 /nfs/dbraw/zinc/84/84/26/998848426.db2.gz JXFXNTZRGMIOMH-XZOQPEGZSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000478254801 998848431 /nfs/dbraw/zinc/84/84/31/998848431.db2.gz JXFXNTZRGMIOMH-XZOQPEGZSA-N 2 2 410.558 3.615 20 0 HHADLP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487108604 999064850 /nfs/dbraw/zinc/06/48/50/999064850.db2.gz LJWIUMNKZBGMCK-QAPCUYQASA-N 2 2 422.495 3.904 20 0 HHADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000487316870 999133650 /nfs/dbraw/zinc/13/36/50/999133650.db2.gz CSVRBUMORIABKY-UHFFFAOYSA-N 2 2 403.324 3.697 20 0 HHADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000487316870 999133653 /nfs/dbraw/zinc/13/36/53/999133653.db2.gz CSVRBUMORIABKY-UHFFFAOYSA-N 2 2 403.324 3.697 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057315 999272170 /nfs/dbraw/zinc/27/21/70/999272170.db2.gz HWDDLTIRWZVVJS-TUSQITKMSA-N 2 2 416.569 3.722 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057315 999272174 /nfs/dbraw/zinc/27/21/74/999272174.db2.gz HWDDLTIRWZVVJS-TUSQITKMSA-N 2 2 416.569 3.722 20 0 HHADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479329832 999388429 /nfs/dbraw/zinc/38/84/29/999388429.db2.gz WBPJFZBBFXIICP-SNVBAGLBSA-N 2 2 408.395 3.601 20 0 HHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479375978 999411067 /nfs/dbraw/zinc/41/10/67/999411067.db2.gz DKUDXSKYRZRGEA-FUHIMQAGSA-N 2 2 422.976 3.884 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@@H+]2C2CC2)c1 ZINC000488377129 999465076 /nfs/dbraw/zinc/46/50/76/999465076.db2.gz XEWKLMUSBGIBEY-FYYLOGMGSA-N 2 2 423.561 3.560 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000488377129 999465078 /nfs/dbraw/zinc/46/50/78/999465078.db2.gz XEWKLMUSBGIBEY-FYYLOGMGSA-N 2 2 423.561 3.560 20 0 HHADLP c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000488568345 999530569 /nfs/dbraw/zinc/53/05/69/999530569.db2.gz LVNRMZXWXQDNCO-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488616750 999546906 /nfs/dbraw/zinc/54/69/06/999546906.db2.gz WEQUMGCCEJEHNP-SFTDATJTSA-N 2 2 419.520 3.725 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488616750 999546910 /nfs/dbraw/zinc/54/69/10/999546910.db2.gz WEQUMGCCEJEHNP-SFTDATJTSA-N 2 2 419.520 3.725 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840030 999619905 /nfs/dbraw/zinc/61/99/05/999619905.db2.gz SAEVHSFLDZBHKO-FCHUYYIVSA-N 2 2 416.516 3.661 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840030 999619909 /nfs/dbraw/zinc/61/99/09/999619909.db2.gz SAEVHSFLDZBHKO-FCHUYYIVSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840030 999619912 /nfs/dbraw/zinc/61/99/12/999619912.db2.gz SAEVHSFLDZBHKO-FCHUYYIVSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840030 999619915 /nfs/dbraw/zinc/61/99/15/999619915.db2.gz SAEVHSFLDZBHKO-FCHUYYIVSA-N 2 2 416.516 3.661 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000479898992 999640937 /nfs/dbraw/zinc/64/09/37/999640937.db2.gz HWIAWTMCZZAHMA-QGZVFWFLSA-N 2 2 411.937 3.604 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000479955498 999662051 /nfs/dbraw/zinc/66/20/51/999662051.db2.gz XDZDHXDDIKHAPX-RPBOFIJWSA-N 2 2 416.569 3.956 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000479955498 999662057 /nfs/dbraw/zinc/66/20/57/999662057.db2.gz XDZDHXDDIKHAPX-RPBOFIJWSA-N 2 2 416.569 3.956 20 0 HHADLP Cc1cccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)(C)C)c1 ZINC000489394954 999757923 /nfs/dbraw/zinc/75/79/23/999757923.db2.gz LLUMTXZAKIEDID-QFIPXVFZSA-N 2 2 400.611 3.940 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(C)c1 ZINC000489729816 999826396 /nfs/dbraw/zinc/82/63/96/999826396.db2.gz RDYNNFZFPIODRL-XXBNENTESA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C)c1 ZINC000489729816 999826397 /nfs/dbraw/zinc/82/63/97/999826397.db2.gz RDYNNFZFPIODRL-XXBNENTESA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000480597493 999836944 /nfs/dbraw/zinc/83/69/44/999836944.db2.gz WMXADMGKERJGRV-XXBNENTESA-N 2 2 405.546 3.730 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000480631622 999845707 /nfs/dbraw/zinc/84/57/07/999845707.db2.gz PXPPUSREEPABBA-JOCHJYFZSA-N 2 2 405.542 3.610 20 0 HHADLP COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c(C)c2c1 ZINC000480636788 999847590 /nfs/dbraw/zinc/84/75/90/999847590.db2.gz YQVSAVDQHPECRY-SFHVURJKSA-N 2 2 421.541 3.988 20 0 HHADLP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000480708548 999864784 /nfs/dbraw/zinc/86/47/84/999864784.db2.gz LXCQMOZWNPIKQA-IBGZPJMESA-N 2 2 403.368 3.837 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000490076517 999889547 /nfs/dbraw/zinc/88/95/47/999889547.db2.gz OPYYCOCMKUYMSR-IBGZPJMESA-N 2 2 423.561 3.519 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000490076517 999889548 /nfs/dbraw/zinc/88/95/48/999889548.db2.gz OPYYCOCMKUYMSR-IBGZPJMESA-N 2 2 423.561 3.519 20 0 HHADLP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000490110372 999894493 /nfs/dbraw/zinc/89/44/93/999894493.db2.gz BGYGPRGXDNMNGK-JOCHJYFZSA-N 2 2 401.501 3.738 20 0 HHADLP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000490110372 999894494 /nfs/dbraw/zinc/89/44/94/999894494.db2.gz BGYGPRGXDNMNGK-JOCHJYFZSA-N 2 2 401.501 3.738 20 0 HHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191078 999907935 /nfs/dbraw/zinc/90/79/35/999907935.db2.gz PHNATEWWDZEALU-UUOWRZLLSA-N 2 2 408.521 3.659 20 0 HHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191078 999907936 /nfs/dbraw/zinc/90/79/36/999907936.db2.gz PHNATEWWDZEALU-UUOWRZLLSA-N 2 2 408.521 3.659 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237640 999918123 /nfs/dbraw/zinc/91/81/23/999918123.db2.gz FLWMBSCICNYWMO-YADHBBJMSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237640 999918125 /nfs/dbraw/zinc/91/81/25/999918125.db2.gz FLWMBSCICNYWMO-YADHBBJMSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237640 999918126 /nfs/dbraw/zinc/91/81/26/999918126.db2.gz FLWMBSCICNYWMO-YADHBBJMSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237640 999918127 /nfs/dbraw/zinc/91/81/27/999918127.db2.gz FLWMBSCICNYWMO-YADHBBJMSA-N 2 2 422.564 3.864 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544666 999975138 /nfs/dbraw/zinc/97/51/38/999975138.db2.gz MCUKXLRPGYSCBZ-LZQZEXGQSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544666 999975139 /nfs/dbraw/zinc/97/51/39/999975139.db2.gz MCUKXLRPGYSCBZ-LZQZEXGQSA-N 2 2 404.352 3.681 20 0 HHADLP CC[N@H+](C)[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000490546753 999975471 /nfs/dbraw/zinc/97/54/71/999975471.db2.gz QVFRIPSZZMYHNS-JOCHJYFZSA-N 2 2 416.529 3.955 20 0 HHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000490546753 999975473 /nfs/dbraw/zinc/97/54/73/999975473.db2.gz QVFRIPSZZMYHNS-JOCHJYFZSA-N 2 2 416.529 3.955 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000490941198 1000025939 /nfs/dbraw/zinc/02/59/39/1000025939.db2.gz OJUXGGDVFDDWKJ-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000490941198 1000025941 /nfs/dbraw/zinc/02/59/41/1000025941.db2.gz OJUXGGDVFDDWKJ-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c2ccccc2C1 ZINC000491354766 1000067634 /nfs/dbraw/zinc/06/76/34/1000067634.db2.gz CXCSQMQFIZQTNM-AREMUKBSSA-N 2 2 420.601 3.590 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c2ccccc2C1 ZINC000491354767 1000067719 /nfs/dbraw/zinc/06/77/19/1000067719.db2.gz CXCSQMQFIZQTNM-SANMLTNESA-N 2 2 420.601 3.590 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1cccs1 ZINC000492162199 1000112758 /nfs/dbraw/zinc/11/27/58/1000112758.db2.gz VDYOSUMGOAQMKV-YLJYHZDGSA-N 2 2 410.547 3.593 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1cccs1 ZINC000492162199 1000112759 /nfs/dbraw/zinc/11/27/59/1000112759.db2.gz VDYOSUMGOAQMKV-YLJYHZDGSA-N 2 2 410.547 3.593 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](COC)c3ccc(Cl)cc3)cc2)CC1 ZINC000493971292 1000244876 /nfs/dbraw/zinc/24/48/76/1000244876.db2.gz WPXPHHGZZMGVQA-QHCPKHFHSA-N 2 2 401.982 3.955 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494408137 1000478122 /nfs/dbraw/zinc/47/81/22/1000478122.db2.gz WHLFQYFWRPHDLA-MRXNPFEDSA-N 2 2 400.324 3.553 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494427482 1000486886 /nfs/dbraw/zinc/48/68/86/1000486886.db2.gz FUCRRHMEMSLLRE-PKTZIBPZSA-N 2 2 407.562 3.818 20 0 HHADLP Cc1c(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000494437733 1000491535 /nfs/dbraw/zinc/49/15/35/1000491535.db2.gz UHFPFKBZLSOJBA-RUZDIDTESA-N 2 2 404.558 3.629 20 0 HHADLP Cc1c(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000494437733 1000491537 /nfs/dbraw/zinc/49/15/37/1000491537.db2.gz UHFPFKBZLSOJBA-RUZDIDTESA-N 2 2 404.558 3.629 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000505161188 1000586811 /nfs/dbraw/zinc/58/68/11/1000586811.db2.gz WDIQYUNJGKMKER-PTUXOGIPSA-N 2 2 422.573 3.506 20 0 HHADLP CC(=O)N1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc2C1 ZINC000495025091 1000785688 /nfs/dbraw/zinc/78/56/88/1000785688.db2.gz GTLTYTZHJYGGIU-HSZRJFAPSA-N 2 2 407.562 3.517 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000505485305 1000810912 /nfs/dbraw/zinc/81/09/12/1000810912.db2.gz ZWEIDABTLBSHEP-RRWXTXHCSA-N 2 2 422.411 3.823 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000505518612 1000860968 /nfs/dbraw/zinc/86/09/68/1000860968.db2.gz FWTBYLAYXXTFCC-OAQYLSRUSA-N 2 2 421.585 3.813 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC[NH2+]2)cc1 ZINC000505572309 1000912239 /nfs/dbraw/zinc/91/22/39/1000912239.db2.gz IVSYWWNZASKRMN-IBGZPJMESA-N 2 2 411.456 3.554 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000505767620 1001013043 /nfs/dbraw/zinc/01/30/43/1001013043.db2.gz TWSHJJKKVMPGHW-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000495787600 1001076927 /nfs/dbraw/zinc/07/69/27/1001076927.db2.gz FVFGFSUVBSVTNE-SFHVURJKSA-N 2 2 405.652 3.997 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000495787600 1001076930 /nfs/dbraw/zinc/07/69/30/1001076930.db2.gz FVFGFSUVBSVTNE-SFHVURJKSA-N 2 2 405.652 3.997 20 0 HHADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506021215 1001168862 /nfs/dbraw/zinc/16/88/62/1001168862.db2.gz CBPFMUQTFYILJO-UHFFFAOYSA-N 2 2 407.986 3.720 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506027934 1001173734 /nfs/dbraw/zinc/17/37/34/1001173734.db2.gz PHBXNNZSISKLEU-MRXNPFEDSA-N 2 2 411.949 3.631 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)o2)cc1C ZINC000506047410 1001189431 /nfs/dbraw/zinc/18/94/31/1001189431.db2.gz KWZCOOBEKUTQGY-UHFFFAOYSA-N 2 2 418.607 3.993 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821459 1001233409 /nfs/dbraw/zinc/23/34/09/1001233409.db2.gz GMQSIPFWZZIAKX-ROUUACIJSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821459 1001233411 /nfs/dbraw/zinc/23/34/11/1001233411.db2.gz GMQSIPFWZZIAKX-ROUUACIJSA-N 2 2 405.612 3.604 20 0 HHADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506904210 1001588065 /nfs/dbraw/zinc/58/80/65/1001588065.db2.gz JWCZVBDKLWCDFD-SFHVURJKSA-N 2 2 413.587 3.876 20 0 HHADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506904210 1001588067 /nfs/dbraw/zinc/58/80/67/1001588067.db2.gz JWCZVBDKLWCDFD-SFHVURJKSA-N 2 2 413.587 3.876 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919646 1001593395 /nfs/dbraw/zinc/59/33/95/1001593395.db2.gz UHLQVZWGBZIKJE-QUCCMNQESA-N 2 2 413.541 3.807 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919646 1001593400 /nfs/dbraw/zinc/59/34/00/1001593400.db2.gz UHLQVZWGBZIKJE-QUCCMNQESA-N 2 2 413.541 3.807 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928671 1001598287 /nfs/dbraw/zinc/59/82/87/1001598287.db2.gz BDKZDXSPYVXYEM-FYYLOGMGSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928671 1001598290 /nfs/dbraw/zinc/59/82/90/1001598290.db2.gz BDKZDXSPYVXYEM-FYYLOGMGSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930315 1001599141 /nfs/dbraw/zinc/59/91/41/1001599141.db2.gz HERJYLPRXXCKSB-NFBKMPQASA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930315 1001599146 /nfs/dbraw/zinc/59/91/46/1001599146.db2.gz HERJYLPRXXCKSB-NFBKMPQASA-N 2 2 409.578 3.727 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498127052 1001653014 /nfs/dbraw/zinc/65/30/14/1001653014.db2.gz NEFYKDLADHKJSQ-QKNQBKEWSA-N 2 2 420.504 3.684 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498127052 1001653018 /nfs/dbraw/zinc/65/30/18/1001653018.db2.gz NEFYKDLADHKJSQ-QKNQBKEWSA-N 2 2 420.504 3.684 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166245 1001671422 /nfs/dbraw/zinc/67/14/22/1001671422.db2.gz NCUSLXAHQXNWCL-AHRSYUTCSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166245 1001671425 /nfs/dbraw/zinc/67/14/25/1001671425.db2.gz NCUSLXAHQXNWCL-AHRSYUTCSA-N 2 2 422.976 3.742 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507043026 1001778351 /nfs/dbraw/zinc/77/83/51/1001778351.db2.gz XURDARZHSVFYIF-FYYLOGMGSA-N 2 2 423.605 3.974 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(C)C ZINC000507052968 1001783499 /nfs/dbraw/zinc/78/34/99/1001783499.db2.gz KJSLFZVLZNBZIJ-CTNGQTDRSA-N 2 2 403.615 3.865 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507057754 1001785747 /nfs/dbraw/zinc/78/57/47/1001785747.db2.gz LJIDZHHILYSERV-UYAOXDASSA-N 2 2 411.550 3.539 20 0 HHADLP CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCC(C)CC1 ZINC000507099767 1001807801 /nfs/dbraw/zinc/80/78/01/1001807801.db2.gz CHFPDSIGOGCUSD-IRLDBZIGSA-N 2 2 415.626 3.865 20 0 HHADLP CC(C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCC(C)CC1 ZINC000507099765 1001808268 /nfs/dbraw/zinc/80/82/68/1001808268.db2.gz CHFPDSIGOGCUSD-IFMALSPDSA-N 2 2 415.626 3.865 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[NH+]1CCCCC1 ZINC000507160943 1001849637 /nfs/dbraw/zinc/84/96/37/1001849637.db2.gz OADCMEOCBUWUMT-FCEUIQTBSA-N 2 2 422.573 3.506 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000498422403 1001851842 /nfs/dbraw/zinc/85/18/42/1001851842.db2.gz JGSPEHOJNBQHHC-UHFFFAOYSA-N 2 2 401.501 3.730 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000498422403 1001851859 /nfs/dbraw/zinc/85/18/59/1001851859.db2.gz JGSPEHOJNBQHHC-UHFFFAOYSA-N 2 2 401.501 3.730 20 0 HHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185426 1001875688 /nfs/dbraw/zinc/87/56/88/1001875688.db2.gz XQOJSSDCIPHOFF-UXHICEINSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185426 1001875676 /nfs/dbraw/zinc/87/56/76/1001875676.db2.gz XQOJSSDCIPHOFF-UXHICEINSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507196814 1001884011 /nfs/dbraw/zinc/88/40/11/1001884011.db2.gz NZHZMRHSZWDVDV-CTNGQTDRSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507196814 1001884027 /nfs/dbraw/zinc/88/40/27/1001884027.db2.gz NZHZMRHSZWDVDV-CTNGQTDRSA-N 2 2 409.578 3.629 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203444 1001892291 /nfs/dbraw/zinc/89/22/91/1001892291.db2.gz JDKPKDRMFKEZFD-VXKWHMMOSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203444 1001892269 /nfs/dbraw/zinc/89/22/69/1001892269.db2.gz JDKPKDRMFKEZFD-VXKWHMMOSA-N 2 2 421.589 3.773 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300570 1001982900 /nfs/dbraw/zinc/98/29/00/1001982900.db2.gz CDJHVMKSLBRHNC-HJNYFJLDSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300570 1001982908 /nfs/dbraw/zinc/98/29/08/1001982908.db2.gz CDJHVMKSLBRHNC-HJNYFJLDSA-N 2 2 421.589 3.944 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000507318503 1001998331 /nfs/dbraw/zinc/99/83/31/1001998331.db2.gz MGLZCPCWABZYBJ-RXVVDRJESA-N 2 2 413.541 3.550 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000498699951 1002085717 /nfs/dbraw/zinc/08/57/17/1002085717.db2.gz CFPCIEHPOCDPLK-CTNGQTDRSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000498699951 1002085727 /nfs/dbraw/zinc/08/57/27/1002085727.db2.gz CFPCIEHPOCDPLK-CTNGQTDRSA-N 2 2 410.562 3.759 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595871 1002203006 /nfs/dbraw/zinc/20/30/06/1002203006.db2.gz AJUYTVYRCKWTGE-FCEUIQTBSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[N@H+]1Cc1ccccc1 ZINC000507595871 1002203014 /nfs/dbraw/zinc/20/30/14/1002203014.db2.gz AJUYTVYRCKWTGE-FCEUIQTBSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@H]1C[C@]1(NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000507600472 1002207246 /nfs/dbraw/zinc/20/72/46/1002207246.db2.gz ROBDNUIMDVTCSD-FDDCHVKYSA-N 2 2 419.013 3.825 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000499123069 1002509245 /nfs/dbraw/zinc/50/92/45/1002509245.db2.gz FQSBSXOUDQOSIF-BKFWDETESA-N 3 2 405.590 3.847 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000499123069 1002509258 /nfs/dbraw/zinc/50/92/58/1002509258.db2.gz FQSBSXOUDQOSIF-BKFWDETESA-N 3 2 405.590 3.847 20 0 HHADLP O=S(=O)(CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499139175 1002524268 /nfs/dbraw/zinc/52/42/68/1002524268.db2.gz ANBOJIRXXOWRTQ-BKFWDETESA-N 2 2 412.599 3.777 20 0 HHADLP O=S(=O)(CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499139175 1002524281 /nfs/dbraw/zinc/52/42/81/1002524281.db2.gz ANBOJIRXXOWRTQ-BKFWDETESA-N 2 2 412.599 3.777 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cnccc2Oc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000499889522 1003225047 /nfs/dbraw/zinc/22/50/47/1003225047.db2.gz VQJDMQZBZSCYAQ-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509264872 1003664473 /nfs/dbraw/zinc/66/44/73/1003664473.db2.gz SUBSNMCWJLTSCX-QFIPXVFZSA-N 2 2 406.574 3.549 20 0 HHADLP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509264872 1003664470 /nfs/dbraw/zinc/66/44/70/1003664470.db2.gz SUBSNMCWJLTSCX-QFIPXVFZSA-N 2 2 406.574 3.549 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372170 1003668284 /nfs/dbraw/zinc/66/82/84/1003668284.db2.gz UOYVZYYSJZMNAB-RBUKOAKNSA-N 2 2 410.389 3.772 20 0 HHADLP CN(C)c1cc(NC(=O)CC2(CC(=O)Nc3cc[nH+]c(N(C)C)c3)CCCC2)cc[nH+]1 ZINC000500436123 1003715841 /nfs/dbraw/zinc/71/58/41/1003715841.db2.gz LEGURTIBEZLYEB-UHFFFAOYSA-N 2 2 424.549 3.526 20 0 HHADLP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511821731 1003791251 /nfs/dbraw/zinc/79/12/51/1003791251.db2.gz FFSCCOYTRRDXLQ-HXUWFJFHSA-N 2 2 405.546 3.547 20 0 HHADLP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511821731 1003791260 /nfs/dbraw/zinc/79/12/60/1003791260.db2.gz FFSCCOYTRRDXLQ-HXUWFJFHSA-N 2 2 405.546 3.547 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000509420941 1003848860 /nfs/dbraw/zinc/84/88/60/1003848860.db2.gz YGEYWZHSKLQUHG-OAQYLSRUSA-N 2 2 424.589 3.606 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000509420941 1003848873 /nfs/dbraw/zinc/84/88/73/1003848873.db2.gz YGEYWZHSKLQUHG-OAQYLSRUSA-N 2 2 424.589 3.606 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)c1 ZINC000509432953 1003858731 /nfs/dbraw/zinc/85/87/31/1003858731.db2.gz SFTJSBHMVXGKKU-RDPSFJRHSA-N 2 2 424.589 3.695 20 0 HHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000509546956 1003937528 /nfs/dbraw/zinc/93/75/28/1003937528.db2.gz XLTSHVHDJPHFNM-UYAOXDASSA-N 2 2 410.587 3.650 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551203 1003940320 /nfs/dbraw/zinc/94/03/20/1003940320.db2.gz DVAKLJYFGONREO-PBHICJAKSA-N 2 2 404.440 3.877 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551203 1003940327 /nfs/dbraw/zinc/94/03/27/1003940327.db2.gz DVAKLJYFGONREO-PBHICJAKSA-N 2 2 404.440 3.877 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128548 1004043565 /nfs/dbraw/zinc/04/35/65/1004043565.db2.gz GUAXVLIZIYDTIZ-DZGCQCFKSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128548 1004043576 /nfs/dbraw/zinc/04/35/76/1004043576.db2.gz GUAXVLIZIYDTIZ-DZGCQCFKSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715256 1004047573 /nfs/dbraw/zinc/04/75/73/1004047573.db2.gz VOGVHEUVMWHNOG-MZKRTTBSSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715256 1004047580 /nfs/dbraw/zinc/04/75/80/1004047580.db2.gz VOGVHEUVMWHNOG-MZKRTTBSSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715262 1004047806 /nfs/dbraw/zinc/04/78/06/1004047806.db2.gz VOGVHEUVMWHNOG-ZRCGQRJVSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715262 1004047817 /nfs/dbraw/zinc/04/78/17/1004047817.db2.gz VOGVHEUVMWHNOG-ZRCGQRJVSA-N 2 2 421.589 3.638 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000512146610 1004057155 /nfs/dbraw/zinc/05/71/55/1004057155.db2.gz GMYZTDICSPCWAJ-HSZRJFAPSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000512146610 1004057164 /nfs/dbraw/zinc/05/71/64/1004057164.db2.gz GMYZTDICSPCWAJ-HSZRJFAPSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000512173218 1004075772 /nfs/dbraw/zinc/07/57/72/1004075772.db2.gz UKXFORVGVRBBQL-YADHBBJMSA-N 2 2 408.546 3.545 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000512173218 1004075776 /nfs/dbraw/zinc/07/57/76/1004075776.db2.gz UKXFORVGVRBBQL-YADHBBJMSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000509759678 1004076521 /nfs/dbraw/zinc/07/65/21/1004076521.db2.gz CWGQIZSLXLLZPO-UNMCSNQZSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000509759678 1004076535 /nfs/dbraw/zinc/07/65/35/1004076535.db2.gz CWGQIZSLXLLZPO-UNMCSNQZSA-N 2 2 417.557 3.972 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000501009806 1004114217 /nfs/dbraw/zinc/11/42/17/1004114217.db2.gz DHKCWSQKLZLBQU-HDICACEKSA-N 2 2 402.608 3.749 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000501009806 1004114221 /nfs/dbraw/zinc/11/42/21/1004114221.db2.gz DHKCWSQKLZLBQU-HDICACEKSA-N 2 2 402.608 3.749 20 0 HHADLP C[C@@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000501068165 1004170068 /nfs/dbraw/zinc/17/00/68/1004170068.db2.gz FADWZXWSYRIUFC-LJQANCHMSA-N 2 2 418.545 3.886 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271633 1004173221 /nfs/dbraw/zinc/17/32/21/1004173221.db2.gz VBNHQQXIHDXXRI-UZINWLIJSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271633 1004173226 /nfs/dbraw/zinc/17/32/26/1004173226.db2.gz VBNHQQXIHDXXRI-UZINWLIJSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271633 1004173230 /nfs/dbraw/zinc/17/32/30/1004173230.db2.gz VBNHQQXIHDXXRI-UZINWLIJSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271633 1004173240 /nfs/dbraw/zinc/17/32/40/1004173240.db2.gz VBNHQQXIHDXXRI-UZINWLIJSA-N 2 2 421.585 3.859 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104870 1004207855 /nfs/dbraw/zinc/20/78/55/1004207855.db2.gz MLXPALDEICTBRV-HUMBJQDLSA-N 2 2 420.504 3.732 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104870 1004207863 /nfs/dbraw/zinc/20/78/63/1004207863.db2.gz MLXPALDEICTBRV-HUMBJQDLSA-N 2 2 420.504 3.732 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000509921343 1004209196 /nfs/dbraw/zinc/20/91/96/1004209196.db2.gz YNJYRZJZLYWAJX-UHFFFAOYSA-N 2 2 422.573 3.837 20 0 HHADLP Fc1cccc(Cl)c1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512426875 1004293070 /nfs/dbraw/zinc/29/30/70/1004293070.db2.gz JHMBLZDHORARPD-FQEVSTJZSA-N 2 2 401.957 3.914 20 0 HHADLP Fc1cccc(Cl)c1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512426875 1004293079 /nfs/dbraw/zinc/29/30/79/1004293079.db2.gz JHMBLZDHORARPD-FQEVSTJZSA-N 2 2 401.957 3.914 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000512430892 1004297701 /nfs/dbraw/zinc/29/77/01/1004297701.db2.gz VPCVRFJPOSVRSL-FPOVZHCZSA-N 2 2 407.562 3.623 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501504896 1004473977 /nfs/dbraw/zinc/47/39/77/1004473977.db2.gz OHQONTISUKMCMY-FQEVSTJZSA-N 2 2 421.010 3.922 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501504896 1004473985 /nfs/dbraw/zinc/47/39/85/1004473985.db2.gz OHQONTISUKMCMY-FQEVSTJZSA-N 2 2 421.010 3.922 20 0 HHADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701157 1004504613 /nfs/dbraw/zinc/50/46/13/1004504613.db2.gz JHFUAXSTGHALPO-IBGZPJMESA-N 2 2 422.602 3.567 20 0 HHADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701157 1004504621 /nfs/dbraw/zinc/50/46/21/1004504621.db2.gz JHFUAXSTGHALPO-IBGZPJMESA-N 2 2 422.602 3.567 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512816554 1004576913 /nfs/dbraw/zinc/57/69/13/1004576913.db2.gz VOXHLQKFPWKHHR-ZJOUEHCJSA-N 2 2 414.594 3.854 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512816554 1004576923 /nfs/dbraw/zinc/57/69/23/1004576923.db2.gz VOXHLQKFPWKHHR-ZJOUEHCJSA-N 2 2 414.594 3.854 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512917745 1004689568 /nfs/dbraw/zinc/68/95/68/1004689568.db2.gz UXPIMTZLOFDFAF-OAQYLSRUSA-N 2 2 410.468 3.646 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000512917745 1004689579 /nfs/dbraw/zinc/68/95/79/1004689579.db2.gz UXPIMTZLOFDFAF-OAQYLSRUSA-N 2 2 410.468 3.646 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501815274 1004754057 /nfs/dbraw/zinc/75/40/57/1004754057.db2.gz RRCXSLNQSLRYTC-HSZRJFAPSA-N 2 2 403.530 3.568 20 0 HHADLP Brc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000513049678 1004778790 /nfs/dbraw/zinc/77/87/90/1004778790.db2.gz APQWHRNVAVKPCS-GOSISDBHSA-N 2 2 401.352 3.681 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513064699 1004787496 /nfs/dbraw/zinc/78/74/96/1004787496.db2.gz NYPLXVFERKNRQX-NQHRYMMQSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513064699 1004787501 /nfs/dbraw/zinc/78/75/01/1004787501.db2.gz NYPLXVFERKNRQX-NQHRYMMQSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000513065364 1004787650 /nfs/dbraw/zinc/78/76/50/1004787650.db2.gz RXCSYMBNPWKUSU-WIYYLYMNSA-N 2 2 421.651 3.896 20 0 HHADLP CCC[NH+]1CCC(Nc2nc(C[NH+](C)C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000501933613 1004817237 /nfs/dbraw/zinc/81/72/37/1004817237.db2.gz PRSYRSNGHGMZEI-UHFFFAOYSA-N 2 2 419.595 3.524 20 0 HHADLP C[NH+](Cc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513122150 1004818677 /nfs/dbraw/zinc/81/86/77/1004818677.db2.gz LYDTTZWDWVMFNY-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP C[NH+](Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513122150 1004818680 /nfs/dbraw/zinc/81/86/80/1004818680.db2.gz LYDTTZWDWVMFNY-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000513128664 1004822303 /nfs/dbraw/zinc/82/23/03/1004822303.db2.gz SFAIRFBFCVIOKK-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000513128664 1004822308 /nfs/dbraw/zinc/82/23/08/1004822308.db2.gz SFAIRFBFCVIOKK-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000510857504 1004894965 /nfs/dbraw/zinc/89/49/65/1004894965.db2.gz RDVHNGJKNUDACK-IBGZPJMESA-N 2 2 407.558 3.687 20 0 HHADLP Fc1cccc(OCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510890718 1004913809 /nfs/dbraw/zinc/91/38/09/1004913809.db2.gz VMTPLXUAJQZXKL-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP Fc1cccc(OCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510890718 1004913811 /nfs/dbraw/zinc/91/38/11/1004913811.db2.gz VMTPLXUAJQZXKL-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP COc1cccc(-n2nc(C)c([C@H]3COCC[N@@H+]3CCCCn3cc[nH+]c3C)c2C)c1 ZINC000502380310 1005047220 /nfs/dbraw/zinc/04/72/20/1005047220.db2.gz VXMWNTLCMKLKTR-HSZRJFAPSA-N 2 2 423.561 3.856 20 0 HHADLP COc1cccc(-n2nc(C)c([C@H]3COCC[N@H+]3CCCCn3cc[nH+]c3C)c2C)c1 ZINC000502380310 1005047225 /nfs/dbraw/zinc/04/72/25/1005047225.db2.gz VXMWNTLCMKLKTR-HSZRJFAPSA-N 2 2 423.561 3.856 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)c(Br)c3)CC2)CC1 ZINC000513643575 1005062828 /nfs/dbraw/zinc/06/28/28/1005062828.db2.gz VUBJUBOFVAOTPA-UHFFFAOYSA-N 2 2 422.411 3.524 20 0 HHADLP CC(C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000511385764 1005150865 /nfs/dbraw/zinc/15/08/65/1005150865.db2.gz CCUVBGWPRIIRLD-NRFANRHFSA-N 2 2 409.018 3.747 20 0 HHADLP CC(C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000511385764 1005150867 /nfs/dbraw/zinc/15/08/67/1005150867.db2.gz CCUVBGWPRIIRLD-NRFANRHFSA-N 2 2 409.018 3.747 20 0 HHADLP CN1CCO[C@H]([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccc(Cl)cc2)C1 ZINC000511398846 1005157866 /nfs/dbraw/zinc/15/78/66/1005157866.db2.gz NCAIQBWKDZPOJA-XZOQPEGZSA-N 2 2 410.949 3.746 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502646436 1005158193 /nfs/dbraw/zinc/15/81/93/1005158193.db2.gz HBMRJWFNNFGGMV-UHFFFAOYSA-N 2 2 423.605 3.772 20 0 HHADLP CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccc(Cl)cc2)C1 ZINC000511399781 1005158363 /nfs/dbraw/zinc/15/83/63/1005158363.db2.gz PNAFQQZJLLDBSM-PKTZIBPZSA-N 2 2 410.949 3.746 20 0 HHADLP CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccncc1 ZINC000502744262 1005198263 /nfs/dbraw/zinc/19/82/63/1005198263.db2.gz QFOARWYWAWRGML-OAQYLSRUSA-N 2 2 400.954 3.510 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccncc1 ZINC000502744262 1005198267 /nfs/dbraw/zinc/19/82/67/1005198267.db2.gz QFOARWYWAWRGML-OAQYLSRUSA-N 2 2 400.954 3.510 20 0 HHADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000502793283 1005219816 /nfs/dbraw/zinc/21/98/16/1005219816.db2.gz FOTCDSBVFYIJCN-FQEVSTJZSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000502793283 1005219820 /nfs/dbraw/zinc/21/98/20/1005219820.db2.gz FOTCDSBVFYIJCN-FQEVSTJZSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000502796265 1005221052 /nfs/dbraw/zinc/22/10/52/1005221052.db2.gz OUHSPUPJTRTNHQ-HNNXBMFYSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000502796265 1005221056 /nfs/dbraw/zinc/22/10/56/1005221056.db2.gz OUHSPUPJTRTNHQ-HNNXBMFYSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000511576441 1005231121 /nfs/dbraw/zinc/23/11/21/1005231121.db2.gz CBXOVYHZFQONHW-QZTJIDSGSA-N 2 2 402.583 3.680 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000503061324 1005332585 /nfs/dbraw/zinc/33/25/85/1005332585.db2.gz FNYNTZNYXCOBGU-QAPCUYQASA-N 2 2 404.474 3.980 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000503061324 1005332592 /nfs/dbraw/zinc/33/25/92/1005332592.db2.gz FNYNTZNYXCOBGU-QAPCUYQASA-N 2 2 404.474 3.980 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065071 1005334727 /nfs/dbraw/zinc/33/47/27/1005334727.db2.gz SWZCVXOEHRZGGL-RVKKMQEKSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065071 1005334734 /nfs/dbraw/zinc/33/47/34/1005334734.db2.gz SWZCVXOEHRZGGL-RVKKMQEKSA-N 2 2 410.440 3.542 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077462 1005340967 /nfs/dbraw/zinc/34/09/67/1005340967.db2.gz YPAMVYCEZUVTLU-YDIMBITNSA-N 2 2 420.557 3.975 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077462 1005340972 /nfs/dbraw/zinc/34/09/72/1005340972.db2.gz YPAMVYCEZUVTLU-YDIMBITNSA-N 2 2 420.557 3.975 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N[C@@H]1CCCc2ccccc21 ZINC000503364422 1005398788 /nfs/dbraw/zinc/39/87/88/1005398788.db2.gz CXTQCJKQHHWZAV-NFBKMPQASA-N 2 2 406.574 3.983 20 0 HHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N[C@@H]1CCCc2ccccc21 ZINC000503364422 1005398791 /nfs/dbraw/zinc/39/87/91/1005398791.db2.gz CXTQCJKQHHWZAV-NFBKMPQASA-N 2 2 406.574 3.983 20 0 HHADLP COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503389895 1005405825 /nfs/dbraw/zinc/40/58/25/1005405825.db2.gz ILKGXMRMBJVUCL-KRWDZBQOSA-N 2 2 417.937 3.918 20 0 HHADLP COC(=O)c1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503389895 1005405826 /nfs/dbraw/zinc/40/58/26/1005405826.db2.gz ILKGXMRMBJVUCL-KRWDZBQOSA-N 2 2 417.937 3.918 20 0 HHADLP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402932 1005409622 /nfs/dbraw/zinc/40/96/22/1005409622.db2.gz BQSFLCMDLNMPFK-PXNSSMCTSA-N 2 2 403.954 3.630 20 0 HHADLP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402932 1005409626 /nfs/dbraw/zinc/40/96/26/1005409626.db2.gz BQSFLCMDLNMPFK-PXNSSMCTSA-N 2 2 403.954 3.630 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)cc1 ZINC000503433424 1005418990 /nfs/dbraw/zinc/41/89/90/1005418990.db2.gz QHXWRNVPLZACJO-GOSISDBHSA-N 2 2 421.570 3.821 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)cc1 ZINC000503433424 1005418991 /nfs/dbraw/zinc/41/89/91/1005418991.db2.gz QHXWRNVPLZACJO-GOSISDBHSA-N 2 2 421.570 3.821 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439668 1005420700 /nfs/dbraw/zinc/42/07/00/1005420700.db2.gz KNXRHKFPHMEHGU-OALUTQOASA-N 2 2 410.562 3.627 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439668 1005420701 /nfs/dbraw/zinc/42/07/01/1005420701.db2.gz KNXRHKFPHMEHGU-OALUTQOASA-N 2 2 410.562 3.627 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000503637135 1005470499 /nfs/dbraw/zinc/47/04/99/1005470499.db2.gz QFTZSQVBJOQDBM-UHFFFAOYSA-N 2 2 420.648 3.634 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000503637135 1005470501 /nfs/dbraw/zinc/47/05/01/1005470501.db2.gz QFTZSQVBJOQDBM-UHFFFAOYSA-N 2 2 420.648 3.634 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514433000 1005987674 /nfs/dbraw/zinc/98/76/74/1005987674.db2.gz KUGBVCBKGGKRMA-QRQLOZEOSA-N 2 2 422.639 3.650 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514433000 1005987681 /nfs/dbraw/zinc/98/76/81/1005987681.db2.gz KUGBVCBKGGKRMA-QRQLOZEOSA-N 2 2 422.639 3.650 20 0 HHADLP Cc1cc(-c2nnc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)c(C)o1 ZINC000534107578 1006083315 /nfs/dbraw/zinc/08/33/15/1006083315.db2.gz LQKWZPPTLFUWIX-UHFFFAOYSA-N 3 2 415.582 3.575 20 0 HHADLP Cc1cc(-c2nnc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)c(C)o1 ZINC000534107578 1006083325 /nfs/dbraw/zinc/08/33/25/1006083325.db2.gz LQKWZPPTLFUWIX-UHFFFAOYSA-N 3 2 415.582 3.575 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795220 1006130042 /nfs/dbraw/zinc/13/00/42/1006130042.db2.gz ZNWFMWVZRCMDMQ-OXQOHEQNSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795220 1006130050 /nfs/dbraw/zinc/13/00/50/1006130050.db2.gz ZNWFMWVZRCMDMQ-OXQOHEQNSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795221 1006130278 /nfs/dbraw/zinc/13/02/78/1006130278.db2.gz ZNWFMWVZRCMDMQ-UZLBHIALSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795221 1006130286 /nfs/dbraw/zinc/13/02/86/1006130286.db2.gz ZNWFMWVZRCMDMQ-UZLBHIALSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177664 1006163856 /nfs/dbraw/zinc/16/38/56/1006163856.db2.gz LRFUZDQLAXKNGK-JTSKRJEESA-N 2 2 415.965 3.992 20 0 HHADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177664 1006163861 /nfs/dbraw/zinc/16/38/61/1006163861.db2.gz LRFUZDQLAXKNGK-JTSKRJEESA-N 2 2 415.965 3.992 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534310680 1006291918 /nfs/dbraw/zinc/29/19/18/1006291918.db2.gz UHTUSPLBGXSURC-FGZHOGPDSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534310680 1006291926 /nfs/dbraw/zinc/29/19/26/1006291926.db2.gz UHTUSPLBGXSURC-FGZHOGPDSA-N 2 2 412.553 3.783 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359552 1006322709 /nfs/dbraw/zinc/32/27/09/1006322709.db2.gz KHWMTZPUCHXFLE-FGZHOGPDSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359552 1006322722 /nfs/dbraw/zinc/32/27/22/1006322722.db2.gz KHWMTZPUCHXFLE-FGZHOGPDSA-N 2 2 403.615 3.653 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360706 1006324293 /nfs/dbraw/zinc/32/42/93/1006324293.db2.gz PMFSREHYBMRPDH-RPWUZVMVSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360706 1006324301 /nfs/dbraw/zinc/32/43/01/1006324301.db2.gz PMFSREHYBMRPDH-RPWUZVMVSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360665 1006324374 /nfs/dbraw/zinc/32/43/74/1006324374.db2.gz OYRYDDZHNQQZDE-SFTDATJTSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360665 1006324381 /nfs/dbraw/zinc/32/43/81/1006324381.db2.gz OYRYDDZHNQQZDE-SFTDATJTSA-N 2 2 407.599 3.713 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375716 1006344601 /nfs/dbraw/zinc/34/46/01/1006344601.db2.gz WSHYWEIJUADXJR-GOTSBHOMSA-N 2 2 400.611 3.782 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375716 1006344616 /nfs/dbraw/zinc/34/46/16/1006344616.db2.gz WSHYWEIJUADXJR-GOTSBHOMSA-N 2 2 400.611 3.782 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375718 1006344715 /nfs/dbraw/zinc/34/47/15/1006344715.db2.gz WSHYWEIJUADXJR-XZOQPEGZSA-N 2 2 400.611 3.782 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375718 1006344726 /nfs/dbraw/zinc/34/47/26/1006344726.db2.gz WSHYWEIJUADXJR-XZOQPEGZSA-N 2 2 400.611 3.782 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382746 1006354832 /nfs/dbraw/zinc/35/48/32/1006354832.db2.gz BVAVJKBMICSQTF-SXSPYAJSSA-N 2 2 418.601 3.735 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382746 1006354843 /nfs/dbraw/zinc/35/48/43/1006354843.db2.gz BVAVJKBMICSQTF-SXSPYAJSSA-N 2 2 418.601 3.735 20 0 HHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000531759582 1006403608 /nfs/dbraw/zinc/40/36/08/1006403608.db2.gz KDTSPDVAORPQNQ-BHDDXSALSA-N 2 2 422.997 3.755 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000531785313 1006425883 /nfs/dbraw/zinc/42/58/83/1006425883.db2.gz ADEAPVGCNYWONV-UHFFFAOYSA-N 3 2 403.574 3.753 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000534448067 1006428591 /nfs/dbraw/zinc/42/85/91/1006428591.db2.gz MPBVSNYMNOQFKQ-QFIPXVFZSA-N 2 2 417.557 3.848 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531874054 1006493392 /nfs/dbraw/zinc/49/33/92/1006493392.db2.gz JWPCOMMJRYIUPL-WOJBJXKFSA-N 2 2 402.542 3.818 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521241 1006516873 /nfs/dbraw/zinc/51/68/73/1006516873.db2.gz ZAHHPZVQPSTSRH-XLIONFOSSA-N 2 2 415.607 3.669 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521241 1006516881 /nfs/dbraw/zinc/51/68/81/1006516881.db2.gz ZAHHPZVQPSTSRH-XLIONFOSSA-N 2 2 415.607 3.669 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000538442916 1006710038 /nfs/dbraw/zinc/71/00/38/1006710038.db2.gz MBWWUFUTIUPPLF-AEFFLSMTSA-N 2 2 416.595 3.830 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000538442916 1006710049 /nfs/dbraw/zinc/71/00/49/1006710049.db2.gz MBWWUFUTIUPPLF-AEFFLSMTSA-N 2 2 416.595 3.830 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000534724013 1006711176 /nfs/dbraw/zinc/71/11/76/1006711176.db2.gz XVBBMTQPTIKQHY-CJRSTVEYSA-N 2 2 415.541 3.856 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000534724013 1006711188 /nfs/dbraw/zinc/71/11/88/1006711188.db2.gz XVBBMTQPTIKQHY-CJRSTVEYSA-N 2 2 415.541 3.856 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000515844574 1006713154 /nfs/dbraw/zinc/71/31/54/1006713154.db2.gz FDKGLFMNLUWQGP-QFIPXVFZSA-N 2 2 424.614 3.585 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000515844574 1006713171 /nfs/dbraw/zinc/71/31/71/1006713171.db2.gz FDKGLFMNLUWQGP-QFIPXVFZSA-N 2 2 424.614 3.585 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891646 1006741231 /nfs/dbraw/zinc/74/12/31/1006741231.db2.gz WWBLDILYZZRIDE-BJKOFHAPSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891646 1006741243 /nfs/dbraw/zinc/74/12/43/1006741243.db2.gz WWBLDILYZZRIDE-BJKOFHAPSA-N 2 2 422.573 3.571 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791901 1006794449 /nfs/dbraw/zinc/79/44/49/1006794449.db2.gz JTKBZWNYPPLSHW-OTWHNJEPSA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791901 1006794464 /nfs/dbraw/zinc/79/44/64/1006794464.db2.gz JTKBZWNYPPLSHW-OTWHNJEPSA-N 2 2 406.983 3.749 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558216 1006820179 /nfs/dbraw/zinc/82/01/79/1006820179.db2.gz SGURNCMMYRVRGK-UWJYYQICSA-N 2 2 410.566 3.925 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000538587416 1006855034 /nfs/dbraw/zinc/85/50/34/1006855034.db2.gz FJMVNGODLWFKHD-IBGZPJMESA-N 3 2 411.594 3.726 20 0 HHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442349 1006885677 /nfs/dbraw/zinc/88/56/77/1006885677.db2.gz SCKAAZXEEMSFIU-HJNYFJLDSA-N 3 2 404.668 3.669 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc(-c2ccccc2)cs1 ZINC000532494774 1006936965 /nfs/dbraw/zinc/93/69/65/1006936965.db2.gz CDXRRBYFZWOZFE-GOSISDBHSA-N 2 2 421.570 3.595 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CCC2 ZINC000532537006 1006972052 /nfs/dbraw/zinc/97/20/52/1006972052.db2.gz BCZCZQDWZBZAAG-HIFRSBDPSA-N 2 2 405.340 3.838 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538723168 1006998546 /nfs/dbraw/zinc/99/85/46/1006998546.db2.gz NKZGNZQYCJXDQR-MIZPHKNDSA-N 2 2 404.618 3.766 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538723168 1006998565 /nfs/dbraw/zinc/99/85/65/1006998565.db2.gz NKZGNZQYCJXDQR-MIZPHKNDSA-N 2 2 404.618 3.766 20 0 HHADLP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1OC ZINC000538724818 1007002174 /nfs/dbraw/zinc/00/21/74/1007002174.db2.gz DFTUXUZETMPZIX-UHFFFAOYSA-N 3 2 424.029 3.985 20 0 HHADLP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1OC ZINC000538724818 1007002190 /nfs/dbraw/zinc/00/21/90/1007002190.db2.gz DFTUXUZETMPZIX-UHFFFAOYSA-N 3 2 424.029 3.985 20 0 HHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc3c[nH]nc3c2)o1 ZINC000516348196 1007032958 /nfs/dbraw/zinc/03/29/58/1007032958.db2.gz QVXAPZNEFFAWJX-UHFFFAOYSA-N 2 2 400.280 3.817 20 0 HHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc3c[nH]nc3c2)o1 ZINC000516348196 1007032967 /nfs/dbraw/zinc/03/29/67/1007032967.db2.gz QVXAPZNEFFAWJX-UHFFFAOYSA-N 2 2 400.280 3.817 20 0 HHADLP C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007738 1007064059 /nfs/dbraw/zinc/06/40/59/1007064059.db2.gz VKUGVPMNUHRBBO-QMWXCIFZSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007738 1007064068 /nfs/dbraw/zinc/06/40/68/1007064068.db2.gz VKUGVPMNUHRBBO-QMWXCIFZSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535007738 1007064076 /nfs/dbraw/zinc/06/40/76/1007064076.db2.gz VKUGVPMNUHRBBO-QMWXCIFZSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535007738 1007064083 /nfs/dbraw/zinc/06/40/83/1007064083.db2.gz VKUGVPMNUHRBBO-QMWXCIFZSA-N 4 2 414.682 3.664 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795929 1007076326 /nfs/dbraw/zinc/07/63/26/1007076326.db2.gz FCJGMYIYFDIPPC-LIRRHRJNSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795929 1007076340 /nfs/dbraw/zinc/07/63/40/1007076340.db2.gz FCJGMYIYFDIPPC-LIRRHRJNSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000538795929 1007076356 /nfs/dbraw/zinc/07/63/56/1007076356.db2.gz FCJGMYIYFDIPPC-LIRRHRJNSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000538795929 1007076371 /nfs/dbraw/zinc/07/63/71/1007076371.db2.gz FCJGMYIYFDIPPC-LIRRHRJNSA-N 2 2 409.368 3.915 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000535043108 1007078323 /nfs/dbraw/zinc/07/83/23/1007078323.db2.gz KNVOJTJSZKGLON-UHFFFAOYSA-N 2 2 406.958 3.559 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000535043108 1007078337 /nfs/dbraw/zinc/07/83/37/1007078337.db2.gz KNVOJTJSZKGLON-UHFFFAOYSA-N 2 2 406.958 3.559 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535092951 1007107240 /nfs/dbraw/zinc/10/72/40/1007107240.db2.gz AYLDTVUKGSXJNM-PKTZIBPZSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535092951 1007107244 /nfs/dbraw/zinc/10/72/44/1007107244.db2.gz AYLDTVUKGSXJNM-PKTZIBPZSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093508 1007108338 /nfs/dbraw/zinc/10/83/38/1007108338.db2.gz DNYVJHLRRLPYNU-HXHBTQRASA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093508 1007108340 /nfs/dbraw/zinc/10/83/40/1007108340.db2.gz DNYVJHLRRLPYNU-HXHBTQRASA-N 2 2 419.560 3.864 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093782 1007108479 /nfs/dbraw/zinc/10/84/79/1007108479.db2.gz FDEFHUOCTWERNW-FCHUYYIVSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093782 1007108484 /nfs/dbraw/zinc/10/84/84/1007108484.db2.gz FDEFHUOCTWERNW-FCHUYYIVSA-N 2 2 406.014 3.987 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094442 1007109814 /nfs/dbraw/zinc/10/98/14/1007109814.db2.gz HWFQEVMNNNVQDH-YADHBBJMSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094442 1007109816 /nfs/dbraw/zinc/10/98/16/1007109816.db2.gz HWFQEVMNNNVQDH-YADHBBJMSA-N 2 2 400.542 3.716 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093985 1007109839 /nfs/dbraw/zinc/10/98/39/1007109839.db2.gz GTAKPEMYWHDVRG-BJKOFHAPSA-N 2 2 414.638 3.942 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093985 1007109843 /nfs/dbraw/zinc/10/98/43/1007109843.db2.gz GTAKPEMYWHDVRG-BJKOFHAPSA-N 2 2 414.638 3.942 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095646 1007111745 /nfs/dbraw/zinc/11/17/45/1007111745.db2.gz ORGGDCIMCWSDGG-RJGXRXQPSA-N 2 2 405.627 3.688 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095646 1007111752 /nfs/dbraw/zinc/11/17/52/1007111752.db2.gz ORGGDCIMCWSDGG-RJGXRXQPSA-N 2 2 405.627 3.688 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096215 1007112814 /nfs/dbraw/zinc/11/28/14/1007112814.db2.gz MTCFGWAUNLKEDM-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096215 1007112822 /nfs/dbraw/zinc/11/28/22/1007112822.db2.gz MTCFGWAUNLKEDM-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096599 1007114015 /nfs/dbraw/zinc/11/40/15/1007114015.db2.gz VGUGYANZQQPBEJ-VXKWHMMOSA-N 2 2 418.651 3.501 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096599 1007114021 /nfs/dbraw/zinc/11/40/21/1007114021.db2.gz VGUGYANZQQPBEJ-VXKWHMMOSA-N 2 2 418.651 3.501 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096915 1007114072 /nfs/dbraw/zinc/11/40/72/1007114072.db2.gz YFLWEVOGASTXHF-FCHUYYIVSA-N 2 2 403.636 3.959 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096915 1007114079 /nfs/dbraw/zinc/11/40/79/1007114079.db2.gz YFLWEVOGASTXHF-FCHUYYIVSA-N 2 2 403.636 3.959 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097078 1007115391 /nfs/dbraw/zinc/11/53/91/1007115391.db2.gz VZIHFKWMPFRAKR-LEWJYISDSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097078 1007115399 /nfs/dbraw/zinc/11/53/99/1007115399.db2.gz VZIHFKWMPFRAKR-LEWJYISDSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097566 1007115658 /nfs/dbraw/zinc/11/56/58/1007115658.db2.gz VLJXJZXUGTWDQW-GOTSBHOMSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097566 1007115660 /nfs/dbraw/zinc/11/56/60/1007115660.db2.gz VLJXJZXUGTWDQW-GOTSBHOMSA-N 2 2 421.589 3.553 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2ccccc2)CC1 ZINC000538862342 1007138465 /nfs/dbraw/zinc/13/84/65/1007138465.db2.gz OISPHMAFYJBRHE-VWLOTQADSA-N 2 2 416.569 3.739 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535114407 1007140577 /nfs/dbraw/zinc/14/05/77/1007140577.db2.gz BWEJOYIXGFLXSK-UXHICEINSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535114407 1007140580 /nfs/dbraw/zinc/14/05/80/1007140580.db2.gz BWEJOYIXGFLXSK-UXHICEINSA-N 2 2 422.932 3.591 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115100 1007142881 /nfs/dbraw/zinc/14/28/81/1007142881.db2.gz CTYYIFIEVJJUDS-NMNUPHIUSA-N 2 2 416.610 3.735 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115100 1007142887 /nfs/dbraw/zinc/14/28/87/1007142887.db2.gz CTYYIFIEVJJUDS-NMNUPHIUSA-N 2 2 416.610 3.735 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120336 1007153017 /nfs/dbraw/zinc/15/30/17/1007153017.db2.gz GDBUHPPAFVTTJN-GOTSBHOMSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120336 1007153024 /nfs/dbraw/zinc/15/30/24/1007153024.db2.gz GDBUHPPAFVTTJN-GOTSBHOMSA-N 2 2 416.610 3.564 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850855 1007238641 /nfs/dbraw/zinc/23/86/41/1007238641.db2.gz YMLDDTZMVMZCFX-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850855 1007238659 /nfs/dbraw/zinc/23/86/59/1007238659.db2.gz YMLDDTZMVMZCFX-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850855 1007238670 /nfs/dbraw/zinc/23/86/70/1007238670.db2.gz YMLDDTZMVMZCFX-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850855 1007238680 /nfs/dbraw/zinc/23/86/80/1007238680.db2.gz YMLDDTZMVMZCFX-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CCOc1c(OC)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000532866014 1007254081 /nfs/dbraw/zinc/25/40/81/1007254081.db2.gz SJKWDQZYDFXDHM-UHFFFAOYSA-N 2 2 414.550 3.640 20 0 HHADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967218 1007333817 /nfs/dbraw/zinc/33/38/17/1007333817.db2.gz NOCUCIYINSNBQT-UIOOFZCWSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967218 1007333827 /nfs/dbraw/zinc/33/38/27/1007333827.db2.gz NOCUCIYINSNBQT-UIOOFZCWSA-N 4 2 410.650 3.522 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062005 1007355145 /nfs/dbraw/zinc/35/51/45/1007355145.db2.gz QCLBQUTWMBLPNO-LZNRXBQRSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062005 1007355160 /nfs/dbraw/zinc/35/51/60/1007355160.db2.gz QCLBQUTWMBLPNO-LZNRXBQRSA-N 2 2 421.507 3.752 20 0 HHADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)CC1 ZINC000535328088 1007381822 /nfs/dbraw/zinc/38/18/22/1007381822.db2.gz RRVAGDJVRVYZBO-LJQANCHMSA-N 2 2 405.546 3.797 20 0 HHADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000539123919 1007412748 /nfs/dbraw/zinc/41/27/48/1007412748.db2.gz GJWQXVHXTJIZEG-JOCHJYFZSA-N 2 2 422.617 3.972 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cs2)o1 ZINC000539149593 1007446385 /nfs/dbraw/zinc/44/63/85/1007446385.db2.gz STKYHCFDCUPPON-ROUUACIJSA-N 2 2 419.591 3.802 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cs2)o1 ZINC000539149589 1007446568 /nfs/dbraw/zinc/44/65/68/1007446568.db2.gz STKYHCFDCUPPON-QZTJIDSGSA-N 2 2 419.591 3.802 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539155560 1007454338 /nfs/dbraw/zinc/45/43/38/1007454338.db2.gz PMDZJDYBEGSSEZ-UXHICEINSA-N 2 2 421.948 3.899 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539155560 1007454344 /nfs/dbraw/zinc/45/43/44/1007454344.db2.gz PMDZJDYBEGSSEZ-UXHICEINSA-N 2 2 421.948 3.899 20 0 HHADLP Cc1cc([C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)ccc1F ZINC000535415853 1007485181 /nfs/dbraw/zinc/48/51/81/1007485181.db2.gz RGFNWNBCLBTSPL-QFIPXVFZSA-N 2 2 416.585 3.835 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655539 1007667959 /nfs/dbraw/zinc/66/79/59/1007667959.db2.gz QVTMPGLETFXMCF-YADHBBJMSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655539 1007667966 /nfs/dbraw/zinc/66/79/66/1007667966.db2.gz QVTMPGLETFXMCF-YADHBBJMSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655536 1007668586 /nfs/dbraw/zinc/66/85/86/1007668586.db2.gz QVTMPGLETFXMCF-FCHUYYIVSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655536 1007668591 /nfs/dbraw/zinc/66/85/91/1007668591.db2.gz QVTMPGLETFXMCF-FCHUYYIVSA-N 2 2 402.583 3.805 20 0 HHADLP O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000533371366 1007681926 /nfs/dbraw/zinc/68/19/26/1007681926.db2.gz KQGQCJJGWYILDU-HXUWFJFHSA-N 2 2 409.496 3.975 20 0 HHADLP O=C(C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000533371366 1007681932 /nfs/dbraw/zinc/68/19/32/1007681932.db2.gz KQGQCJJGWYILDU-HXUWFJFHSA-N 2 2 409.496 3.975 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417113 1007724111 /nfs/dbraw/zinc/72/41/11/1007724111.db2.gz SDLHKQIQNYVPAR-BWKNWUBXSA-N 2 2 416.569 3.804 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417113 1007724119 /nfs/dbraw/zinc/72/41/19/1007724119.db2.gz SDLHKQIQNYVPAR-BWKNWUBXSA-N 2 2 416.569 3.804 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454380 1007765874 /nfs/dbraw/zinc/76/58/74/1007765874.db2.gz XAQSMMLOMIETBY-NHCUHLMSSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454380 1007765878 /nfs/dbraw/zinc/76/58/78/1007765878.db2.gz XAQSMMLOMIETBY-NHCUHLMSSA-N 2 2 406.546 3.635 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000517566051 1007773384 /nfs/dbraw/zinc/77/33/84/1007773384.db2.gz NLCTWRCQQVIRKP-OXJNMPFZSA-N 2 2 403.958 3.617 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000533496764 1007807599 /nfs/dbraw/zinc/80/75/99/1007807599.db2.gz ALJBEMRKOLYXTQ-OAQYLSRUSA-N 3 2 421.633 3.927 20 0 HHADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808692 1007820227 /nfs/dbraw/zinc/82/02/27/1007820227.db2.gz RPHHHHKMRLUOHS-DENIHFKCSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808692 1007820230 /nfs/dbraw/zinc/82/02/30/1007820230.db2.gz RPHHHHKMRLUOHS-DENIHFKCSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808692 1007820235 /nfs/dbraw/zinc/82/02/35/1007820235.db2.gz RPHHHHKMRLUOHS-DENIHFKCSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808692 1007820242 /nfs/dbraw/zinc/82/02/42/1007820242.db2.gz RPHHHHKMRLUOHS-DENIHFKCSA-N 2 2 422.573 3.697 20 0 HHADLP CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533107 1007854736 /nfs/dbraw/zinc/85/47/36/1007854736.db2.gz QYRONYWPJRJGRI-NQIIRXRSSA-N 2 2 415.626 3.894 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533107 1007854765 /nfs/dbraw/zinc/85/47/65/1007854765.db2.gz QYRONYWPJRJGRI-NQIIRXRSSA-N 2 2 415.626 3.894 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849381 1007862125 /nfs/dbraw/zinc/86/21/25/1007862125.db2.gz YZTFLBFQYXMWBP-LEWJYISDSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849381 1007862137 /nfs/dbraw/zinc/86/21/37/1007862137.db2.gz YZTFLBFQYXMWBP-LEWJYISDSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849881 1007862183 /nfs/dbraw/zinc/86/21/83/1007862183.db2.gz WMDUCUCSROWGLQ-PWRODBHTSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849881 1007862189 /nfs/dbraw/zinc/86/21/89/1007862189.db2.gz WMDUCUCSROWGLQ-PWRODBHTSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855848 1007870343 /nfs/dbraw/zinc/87/03/43/1007870343.db2.gz OSUNPRQNSOLVED-QZTJIDSGSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855848 1007870354 /nfs/dbraw/zinc/87/03/54/1007870354.db2.gz OSUNPRQNSOLVED-QZTJIDSGSA-N 2 2 412.500 3.510 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865253 1007881779 /nfs/dbraw/zinc/88/17/79/1007881779.db2.gz GLPBHLPRTBSTPW-ZRBLBEILSA-N 2 2 424.674 3.806 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865253 1007881796 /nfs/dbraw/zinc/88/17/96/1007881796.db2.gz GLPBHLPRTBSTPW-ZRBLBEILSA-N 2 2 424.674 3.806 20 0 HHADLP CN(C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874842 1007892630 /nfs/dbraw/zinc/89/26/30/1007892630.db2.gz DWSHZXCSJVOVJN-QVXKZJQXSA-N 2 2 424.633 3.551 20 0 HHADLP CN(C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874842 1007892640 /nfs/dbraw/zinc/89/26/40/1007892640.db2.gz DWSHZXCSJVOVJN-QVXKZJQXSA-N 2 2 424.633 3.551 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878719 1007897589 /nfs/dbraw/zinc/89/75/89/1007897589.db2.gz ZNZDJXPTULEVBT-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878719 1007897598 /nfs/dbraw/zinc/89/75/98/1007897598.db2.gz ZNZDJXPTULEVBT-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632053 1007937777 /nfs/dbraw/zinc/93/77/77/1007937777.db2.gz VZYJRVGDWQRQGD-YUNSAGIJSA-N 2 2 410.965 3.644 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632053 1007937789 /nfs/dbraw/zinc/93/77/89/1007937789.db2.gz VZYJRVGDWQRQGD-YUNSAGIJSA-N 2 2 410.965 3.644 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535928026 1007950404 /nfs/dbraw/zinc/95/04/04/1007950404.db2.gz FLZSDRKUPWJGJC-JRGCBEDISA-N 2 2 422.976 3.598 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535928026 1007950416 /nfs/dbraw/zinc/95/04/16/1007950416.db2.gz FLZSDRKUPWJGJC-JRGCBEDISA-N 2 2 422.976 3.598 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000535929165 1007952549 /nfs/dbraw/zinc/95/25/49/1007952549.db2.gz JRBMMDKLYSDWSP-GGAORHGYSA-N 2 2 409.578 3.615 20 0 HHADLP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539636520 1007953163 /nfs/dbraw/zinc/95/31/63/1007953163.db2.gz CANAMIJQBLCLEG-GOSISDBHSA-N 2 2 403.530 3.743 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646522 1007954373 /nfs/dbraw/zinc/95/43/73/1007954373.db2.gz BBXMPSYTLSRBAG-RPWUZVMVSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646522 1007954383 /nfs/dbraw/zinc/95/43/83/1007954383.db2.gz BBXMPSYTLSRBAG-RPWUZVMVSA-N 2 2 415.622 3.812 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646932 1007956186 /nfs/dbraw/zinc/95/61/86/1007956186.db2.gz HSASVAKFMXUZOQ-ANULTFPQSA-N 2 2 403.636 3.956 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646932 1007956190 /nfs/dbraw/zinc/95/61/90/1007956190.db2.gz HSASVAKFMXUZOQ-ANULTFPQSA-N 2 2 403.636 3.956 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647508 1007956632 /nfs/dbraw/zinc/95/66/32/1007956632.db2.gz HNWLHILHBFOINP-RTWAWAEBSA-N 2 2 417.594 3.503 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647508 1007956670 /nfs/dbraw/zinc/95/66/70/1007956670.db2.gz HNWLHILHBFOINP-RTWAWAEBSA-N 2 2 417.594 3.503 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649371 1007960065 /nfs/dbraw/zinc/96/00/65/1007960065.db2.gz WWYSVHXIEVXEAZ-WOJBJXKFSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649371 1007960069 /nfs/dbraw/zinc/96/00/69/1007960069.db2.gz WWYSVHXIEVXEAZ-WOJBJXKFSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662919 1007978789 /nfs/dbraw/zinc/97/87/89/1007978789.db2.gz MCCCAIBRHUKXGJ-DHIUTWEWSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662919 1007978799 /nfs/dbraw/zinc/97/87/99/1007978799.db2.gz MCCCAIBRHUKXGJ-DHIUTWEWSA-N 2 2 422.658 3.704 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672179 1007990068 /nfs/dbraw/zinc/99/00/68/1007990068.db2.gz HMOXLOOQJOHAPU-UFYCRDLUSA-N 2 2 421.655 3.881 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672179 1007990074 /nfs/dbraw/zinc/99/00/74/1007990074.db2.gz HMOXLOOQJOHAPU-UFYCRDLUSA-N 2 2 421.655 3.881 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)CC1 ZINC000536060276 1008089554 /nfs/dbraw/zinc/08/95/54/1008089554.db2.gz UOPCWQMJUWEFII-UHFFFAOYSA-N 2 2 413.512 3.920 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000536059715 1008089807 /nfs/dbraw/zinc/08/98/07/1008089807.db2.gz RPKOJSSFVCXWRJ-PMAPCBKXSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)O1 ZINC000536059715 1008089816 /nfs/dbraw/zinc/08/98/16/1008089816.db2.gz RPKOJSSFVCXWRJ-PMAPCBKXSA-N 2 2 408.546 3.604 20 0 HHADLP CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081440 1008107034 /nfs/dbraw/zinc/10/70/34/1008107034.db2.gz QFEIANYYIKYAAH-UHFFFAOYSA-N 2 2 423.561 3.613 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000539823680 1008117060 /nfs/dbraw/zinc/11/70/60/1008117060.db2.gz JODLSBBSJKELDS-QGZVFWFLSA-N 2 2 400.792 3.703 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000539823680 1008117063 /nfs/dbraw/zinc/11/70/63/1008117063.db2.gz JODLSBBSJKELDS-QGZVFWFLSA-N 2 2 400.792 3.703 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000518285151 1008239349 /nfs/dbraw/zinc/23/93/49/1008239349.db2.gz JUCLDWSZIYVQIP-UHFFFAOYSA-N 2 2 412.559 3.589 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000518295470 1008244848 /nfs/dbraw/zinc/24/48/48/1008244848.db2.gz OUUPBJQXFXBVQU-HSZRJFAPSA-N 2 2 423.605 3.818 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518295470 1008244853 /nfs/dbraw/zinc/24/48/53/1008244853.db2.gz OUUPBJQXFXBVQU-HSZRJFAPSA-N 2 2 423.605 3.818 20 0 HHADLP COCc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000540069439 1008269919 /nfs/dbraw/zinc/26/99/19/1008269919.db2.gz ARRBUEHQXVIYKM-UHFFFAOYSA-N 2 2 422.598 3.902 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCCC2 ZINC000540174042 1008322671 /nfs/dbraw/zinc/32/26/71/1008322671.db2.gz DBMRKGOLVAKEOE-AUSIDOKSSA-N 2 2 421.589 3.512 20 0 HHADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000540176707 1008323537 /nfs/dbraw/zinc/32/35/37/1008323537.db2.gz FDCNRIDVOWWHAA-KNQAVFIVSA-N 2 2 409.578 3.756 20 0 HHADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000540176987 1008324032 /nfs/dbraw/zinc/32/40/32/1008324032.db2.gz WTFOTRUOOVZBTM-XQBPLPMBSA-N 2 2 407.562 3.510 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192574 1008329568 /nfs/dbraw/zinc/32/95/68/1008329568.db2.gz NGLYHSBXXBZYNO-YKSBVNFPSA-N 2 2 406.574 3.708 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192574 1008329572 /nfs/dbraw/zinc/32/95/72/1008329572.db2.gz NGLYHSBXXBZYNO-YKSBVNFPSA-N 2 2 406.574 3.708 20 0 HHADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000540325269 1008380860 /nfs/dbraw/zinc/38/08/60/1008380860.db2.gz FXWCTNKCVWZQEJ-INIZCTEOSA-N 2 2 402.564 3.815 20 0 HHADLP CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000540423544 1008427115 /nfs/dbraw/zinc/42/71/15/1008427115.db2.gz AWSKQSGUBLYNCY-HXUWFJFHSA-N 2 2 402.489 3.530 20 0 HHADLP CCC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000540424463 1008427478 /nfs/dbraw/zinc/42/74/78/1008427478.db2.gz OEURBMUPKMORGG-QFIPXVFZSA-N 2 2 417.500 3.867 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543129207 1008702606 /nfs/dbraw/zinc/70/26/06/1008702606.db2.gz IRWNGTUYUCLOQF-OALUTQOASA-N 2 2 408.428 3.872 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158905 1008728684 /nfs/dbraw/zinc/72/86/84/1008728684.db2.gz OYLITAYBSWXITB-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158905 1008728703 /nfs/dbraw/zinc/72/87/03/1008728703.db2.gz OYLITAYBSWXITB-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000519530945 1008895023 /nfs/dbraw/zinc/89/50/23/1008895023.db2.gz FEAMXYHCGJSXSM-BJKOFHAPSA-N 2 2 409.574 3.511 20 0 HHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000519530945 1008895044 /nfs/dbraw/zinc/89/50/44/1008895044.db2.gz FEAMXYHCGJSXSM-BJKOFHAPSA-N 2 2 409.574 3.511 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000543423342 1009014539 /nfs/dbraw/zinc/01/45/39/1009014539.db2.gz XYPOWXPBDMJJGH-SQJMNOBHSA-N 2 2 408.590 3.579 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545982043 1009031823 /nfs/dbraw/zinc/03/18/23/1009031823.db2.gz GTWZOCPJBNSVCK-AFXVXQJMSA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545982043 1009031833 /nfs/dbraw/zinc/03/18/33/1009031833.db2.gz GTWZOCPJBNSVCK-AFXVXQJMSA-N 2 2 401.570 3.725 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000519940004 1009092639 /nfs/dbraw/zinc/09/26/39/1009092639.db2.gz GPOWCSGOZQBAES-OAQYLSRUSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000519940004 1009092653 /nfs/dbraw/zinc/09/26/53/1009092653.db2.gz GPOWCSGOZQBAES-OAQYLSRUSA-N 2 2 423.586 3.704 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000543521506 1009113076 /nfs/dbraw/zinc/11/30/76/1009113076.db2.gz DUFZIODWGJUGCX-LJQANCHMSA-N 2 2 421.029 3.633 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558362 1009176420 /nfs/dbraw/zinc/17/64/20/1009176420.db2.gz CHOIJDKBSRPGAS-VXNXHJTFSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558362 1009176427 /nfs/dbraw/zinc/17/64/27/1009176427.db2.gz CHOIJDKBSRPGAS-VXNXHJTFSA-N 2 2 412.622 3.961 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819381 1009380488 /nfs/dbraw/zinc/38/04/88/1009380488.db2.gz VSSYMBDSJSYBTR-ADHNFCLRSA-N 2 2 407.643 3.623 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819381 1009380497 /nfs/dbraw/zinc/38/04/97/1009380497.db2.gz VSSYMBDSJSYBTR-ADHNFCLRSA-N 2 2 407.643 3.623 20 0 HHADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000543874757 1009445987 /nfs/dbraw/zinc/44/59/87/1009445987.db2.gz OJRULEQEDNZBPL-IBGZPJMESA-N 2 2 410.400 3.810 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544034736 1009635317 /nfs/dbraw/zinc/63/53/17/1009635317.db2.gz LJYGXDYSQRRHNL-ZWKOTPCHSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544034736 1009635322 /nfs/dbraw/zinc/63/53/22/1009635322.db2.gz LJYGXDYSQRRHNL-ZWKOTPCHSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035763 1009636930 /nfs/dbraw/zinc/63/69/30/1009636930.db2.gz VWNYSAWAFVAWRO-WOJBJXKFSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035763 1009636937 /nfs/dbraw/zinc/63/69/37/1009636937.db2.gz VWNYSAWAFVAWRO-WOJBJXKFSA-N 2 2 400.592 3.706 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000520601444 1009677267 /nfs/dbraw/zinc/67/72/67/1009677267.db2.gz RXQZHYAWTQMIGG-NQIIRXRSSA-N 2 2 414.550 3.877 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000520601446 1009677838 /nfs/dbraw/zinc/67/78/38/1009677838.db2.gz RXQZHYAWTQMIGG-WIYYLYMNSA-N 2 2 414.550 3.877 20 0 HHADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)o1 ZINC000544197025 1009799953 /nfs/dbraw/zinc/79/99/53/1009799953.db2.gz DUFITOLPAKFAMY-FQEVSTJZSA-N 2 2 412.578 3.985 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000544258789 1009871830 /nfs/dbraw/zinc/87/18/30/1009871830.db2.gz HLUFNSSHMMOOAU-UHFFFAOYSA-N 2 2 420.561 3.515 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000544258789 1009871852 /nfs/dbraw/zinc/87/18/52/1009871852.db2.gz HLUFNSSHMMOOAU-UHFFFAOYSA-N 2 2 420.561 3.515 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358478 1009984791 /nfs/dbraw/zinc/98/47/91/1009984791.db2.gz ATPKPXPQRNCCAF-HYBUGGRVSA-N 2 2 420.532 3.640 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358478 1009984802 /nfs/dbraw/zinc/98/48/02/1009984802.db2.gz ATPKPXPQRNCCAF-HYBUGGRVSA-N 2 2 420.532 3.640 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000544366540 1009994756 /nfs/dbraw/zinc/99/47/56/1009994756.db2.gz VMGTYAYGINBLDU-AREMUKBSSA-N 2 2 407.602 3.665 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000520958161 1010005921 /nfs/dbraw/zinc/00/59/21/1010005921.db2.gz HJVVHSQRAKNKFC-HNNXBMFYSA-N 2 2 413.463 3.577 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386040 1010008107 /nfs/dbraw/zinc/00/81/07/1010008107.db2.gz PZUXRGYTXWTFNM-LAUBAEHRSA-N 2 2 409.509 3.704 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386040 1010008119 /nfs/dbraw/zinc/00/81/19/1010008119.db2.gz PZUXRGYTXWTFNM-LAUBAEHRSA-N 2 2 409.509 3.704 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1nccs1 ZINC000544410985 1010029240 /nfs/dbraw/zinc/02/92/40/1010029240.db2.gz KPNPLTXPSCCVIK-VQTJNVASSA-N 2 2 416.591 3.536 20 0 HHADLP Cc1csc([C@@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C2CC2)n1 ZINC000544438428 1010062843 /nfs/dbraw/zinc/06/28/43/1010062843.db2.gz DMOWUDNPEVUULR-FQEVSTJZSA-N 2 2 416.616 3.680 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000521222826 1010237140 /nfs/dbraw/zinc/23/71/40/1010237140.db2.gz TYEFTLJGCJTFDL-RTBURBONSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000521222826 1010237153 /nfs/dbraw/zinc/23/71/53/1010237153.db2.gz TYEFTLJGCJTFDL-RTBURBONSA-N 2 2 402.583 3.634 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)CC3 ZINC000547312671 1010248873 /nfs/dbraw/zinc/24/88/73/1010248873.db2.gz GZHGSUVJYTYJQI-SJLPKXTDSA-N 2 2 405.546 3.681 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005623 1010312288 /nfs/dbraw/zinc/31/22/88/1010312288.db2.gz MRXWJOLSVUTPPF-IZZNHLLZSA-N 3 2 406.618 3.619 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005623 1010312296 /nfs/dbraw/zinc/31/22/96/1010312296.db2.gz MRXWJOLSVUTPPF-IZZNHLLZSA-N 3 2 406.618 3.619 20 0 HHADLP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511909 1010334384 /nfs/dbraw/zinc/33/43/84/1010334384.db2.gz BRZDQQKTRIDHEW-NVXWUHKLSA-N 2 2 403.452 3.748 20 0 HHADLP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511909 1010334395 /nfs/dbraw/zinc/33/43/95/1010334395.db2.gz BRZDQQKTRIDHEW-NVXWUHKLSA-N 2 2 403.452 3.748 20 0 HHADLP CCC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCc2ccccc21 ZINC000521820174 1010641060 /nfs/dbraw/zinc/64/10/60/1010641060.db2.gz YHCXKBKLORZCHV-VWLOTQADSA-N 2 2 421.585 3.535 20 0 HHADLP CCC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCc2ccccc21 ZINC000521820174 1010641065 /nfs/dbraw/zinc/64/10/65/1010641065.db2.gz YHCXKBKLORZCHV-VWLOTQADSA-N 2 2 421.585 3.535 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)c2cccs2)CC1 ZINC000551570042 1010668034 /nfs/dbraw/zinc/66/80/34/1010668034.db2.gz PPKLATRWOIUJDU-SFHVURJKSA-N 2 2 401.580 3.553 20 0 HHADLP c1cc(C[NH+]2CCCC2)cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000521908402 1010702276 /nfs/dbraw/zinc/70/22/76/1010702276.db2.gz ONKFACKFWMGBEJ-UHFFFAOYSA-N 2 2 404.514 3.832 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521915545 1010707601 /nfs/dbraw/zinc/70/76/01/1010707601.db2.gz AZNTXOJGVYZFJM-HXUWFJFHSA-N 2 2 424.564 3.961 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000551638894 1010713667 /nfs/dbraw/zinc/71/36/67/1010713667.db2.gz IZDPTIPMVKZYEP-TZIWHRDSSA-N 2 2 417.504 3.521 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000551638894 1010713671 /nfs/dbraw/zinc/71/36/71/1010713671.db2.gz IZDPTIPMVKZYEP-TZIWHRDSSA-N 2 2 417.504 3.521 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000522292050 1010910180 /nfs/dbraw/zinc/91/01/80/1010910180.db2.gz FFWANKTUUYDNBI-UXHICEINSA-N 2 2 409.578 3.599 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1SCC1CCCCC1 ZINC000522350696 1010949560 /nfs/dbraw/zinc/94/95/60/1010949560.db2.gz YRXURXBIOSTSSI-UHFFFAOYSA-N 2 2 418.651 3.852 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1SCC1CCCCC1 ZINC000522350696 1010949565 /nfs/dbraw/zinc/94/95/65/1010949565.db2.gz YRXURXBIOSTSSI-UHFFFAOYSA-N 2 2 418.651 3.852 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752940 1011195636 /nfs/dbraw/zinc/19/56/36/1011195636.db2.gz WEJKGQGJPDFLGS-MISYRCLQSA-N 2 2 405.464 3.905 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752940 1011195641 /nfs/dbraw/zinc/19/56/41/1011195641.db2.gz WEJKGQGJPDFLGS-MISYRCLQSA-N 2 2 405.464 3.905 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000522846537 1011286525 /nfs/dbraw/zinc/28/65/25/1011286525.db2.gz KSGSDZALFPSJAC-JOCHJYFZSA-N 2 2 404.514 3.756 20 0 HHADLP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000536179627 1011313611 /nfs/dbraw/zinc/31/36/11/1011313611.db2.gz OEOOAUKAROZVBV-SFHVURJKSA-N 2 2 402.608 3.503 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000540663739 1011318571 /nfs/dbraw/zinc/31/85/71/1011318571.db2.gz AXIHVLRSVGWVAN-AVRDEDQJSA-N 2 2 412.622 3.954 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000540663739 1011318574 /nfs/dbraw/zinc/31/85/74/1011318574.db2.gz AXIHVLRSVGWVAN-AVRDEDQJSA-N 2 2 412.622 3.954 20 0 HHADLP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(Br)c1 ZINC000540866419 1011545193 /nfs/dbraw/zinc/54/51/93/1011545193.db2.gz TUMQYNYCISAYCY-OAHLLOKOSA-N 2 2 408.340 3.970 20 0 HHADLP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1cccc(Br)c1 ZINC000540866419 1011545203 /nfs/dbraw/zinc/54/52/03/1011545203.db2.gz TUMQYNYCISAYCY-OAHLLOKOSA-N 2 2 408.340 3.970 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C ZINC000523219959 1011709101 /nfs/dbraw/zinc/70/91/01/1011709101.db2.gz VQARCNRSEZCLFT-IBGZPJMESA-N 2 2 400.523 3.587 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000523290346 1011770245 /nfs/dbraw/zinc/77/02/45/1011770245.db2.gz FPSGCNAIUZZHBM-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000536666318 1011818010 /nfs/dbraw/zinc/81/80/10/1011818010.db2.gz MXIDQXWKFXBEDX-OAQYLSRUSA-N 3 2 406.640 3.623 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000536666318 1011818030 /nfs/dbraw/zinc/81/80/30/1011818030.db2.gz MXIDQXWKFXBEDX-OAQYLSRUSA-N 3 2 406.640 3.623 20 0 HHADLP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000523384008 1011860871 /nfs/dbraw/zinc/86/08/71/1011860871.db2.gz HEFPKPXIPROTNE-RUZDIDTESA-N 2 2 410.521 3.890 20 0 HHADLP CCOC(=O)C1CCC([N@H+](CC)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551739259 1011900634 /nfs/dbraw/zinc/90/06/34/1011900634.db2.gz ZAJBSHJGAIJPAD-XPPIMPSXSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([N@@H+](CC)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551739259 1011900643 /nfs/dbraw/zinc/90/06/43/1011900643.db2.gz ZAJBSHJGAIJPAD-XPPIMPSXSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([NH+](CC)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551739259 1011900649 /nfs/dbraw/zinc/90/06/49/1011900649.db2.gz ZAJBSHJGAIJPAD-XPPIMPSXSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([NH+](CC)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551739259 1011900660 /nfs/dbraw/zinc/90/06/60/1011900660.db2.gz ZAJBSHJGAIJPAD-XPPIMPSXSA-N 2 2 402.579 3.721 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541249447 1011930079 /nfs/dbraw/zinc/93/00/79/1011930079.db2.gz OELYTDJKNPGFAJ-DHIUTWEWSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541249447 1011930090 /nfs/dbraw/zinc/93/00/90/1011930090.db2.gz OELYTDJKNPGFAJ-DHIUTWEWSA-N 2 2 413.606 3.885 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C4CCCC4)CC3)n2)C1 ZINC000523441273 1011933527 /nfs/dbraw/zinc/93/35/27/1011933527.db2.gz JGNVFHXVXVIQOX-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C4CCCC4)CC3)n2)C1 ZINC000523441273 1011933576 /nfs/dbraw/zinc/93/35/76/1011933576.db2.gz JGNVFHXVXVIQOX-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)n2)C1 ZINC000523441273 1011933590 /nfs/dbraw/zinc/93/35/90/1011933590.db2.gz JGNVFHXVXVIQOX-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)n2)C1 ZINC000523441273 1011933600 /nfs/dbraw/zinc/93/36/00/1011933600.db2.gz JGNVFHXVXVIQOX-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000552040402 1012062129 /nfs/dbraw/zinc/06/21/29/1012062129.db2.gz FTQLEAHLTZEXJU-AREMUKBSSA-N 2 2 417.553 3.996 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000541385506 1012107653 /nfs/dbraw/zinc/10/76/53/1012107653.db2.gz DVJHHPMOVXFDEJ-UHFFFAOYSA-N 2 2 421.814 3.580 20 0 HHADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)c1 ZINC000536872028 1012112450 /nfs/dbraw/zinc/11/24/50/1012112450.db2.gz WRASTAMQQPHRSU-UXHICEINSA-N 2 2 415.969 3.676 20 0 HHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1Cl ZINC000552098833 1012115910 /nfs/dbraw/zinc/11/59/10/1012115910.db2.gz POGYKHGZPHIIHC-UXDRXVOSSA-N 2 2 407.986 3.861 20 0 HHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1Cl ZINC000552098833 1012115921 /nfs/dbraw/zinc/11/59/21/1012115921.db2.gz POGYKHGZPHIIHC-UXDRXVOSSA-N 2 2 407.986 3.861 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876486 1012119932 /nfs/dbraw/zinc/11/99/32/1012119932.db2.gz MTYRKKBSYAKLPX-QGDZQMKYSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876486 1012119938 /nfs/dbraw/zinc/11/99/38/1012119938.db2.gz MTYRKKBSYAKLPX-QGDZQMKYSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000536876486 1012119943 /nfs/dbraw/zinc/11/99/43/1012119943.db2.gz MTYRKKBSYAKLPX-QGDZQMKYSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000536876486 1012119949 /nfs/dbraw/zinc/11/99/49/1012119949.db2.gz MTYRKKBSYAKLPX-QGDZQMKYSA-N 2 2 406.618 3.965 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)s1 ZINC000552134266 1012154234 /nfs/dbraw/zinc/15/42/34/1012154234.db2.gz DCZRQKJDEWCXRM-HXUWFJFHSA-N 2 2 408.571 3.895 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)s1 ZINC000552134266 1012154252 /nfs/dbraw/zinc/15/42/52/1012154252.db2.gz DCZRQKJDEWCXRM-HXUWFJFHSA-N 2 2 408.571 3.895 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000536933884 1012223431 /nfs/dbraw/zinc/22/34/31/1012223431.db2.gz QFTNCUPIMLXRLQ-ROUUACIJSA-N 2 2 417.525 3.571 20 0 HHADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936390 1012227680 /nfs/dbraw/zinc/22/76/80/1012227680.db2.gz SBPUPSGHIGQIAJ-CALCHBBNSA-N 2 2 419.591 3.802 20 0 HHADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936390 1012227696 /nfs/dbraw/zinc/22/76/96/1012227696.db2.gz SBPUPSGHIGQIAJ-CALCHBBNSA-N 2 2 419.591 3.802 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000537018270 1012322815 /nfs/dbraw/zinc/32/28/15/1012322815.db2.gz QLMIVDBELABJDQ-MSOLQXFVSA-N 2 2 417.500 3.844 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542390 1012327633 /nfs/dbraw/zinc/32/76/33/1012327633.db2.gz UWFCTFMKOHGVBC-QPPBQGQZSA-N 2 2 413.631 3.932 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542390 1012327654 /nfs/dbraw/zinc/32/76/54/1012327654.db2.gz UWFCTFMKOHGVBC-QPPBQGQZSA-N 2 2 413.631 3.932 20 0 HHADLP Fc1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)c(F)c1 ZINC000541550666 1012337221 /nfs/dbraw/zinc/33/72/21/1012337221.db2.gz DDFGOCMWPYJUQT-RUZDIDTESA-N 2 2 422.523 3.857 20 0 HHADLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cc1 ZINC000541564740 1012354164 /nfs/dbraw/zinc/35/41/64/1012354164.db2.gz GGHDNZQSWXSELM-QHCPKHFHSA-N 2 2 424.495 3.530 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000541661198 1012489448 /nfs/dbraw/zinc/48/94/48/1012489448.db2.gz YATWTOAGTITUTQ-HOCLYGCPSA-N 2 2 421.010 3.975 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000537130464 1012514362 /nfs/dbraw/zinc/51/43/62/1012514362.db2.gz LOFGMQBKBQJIFR-LJQANCHMSA-N 2 2 420.582 3.805 20 0 HHADLP Cn1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccc(Cl)cc2)n1 ZINC000541742042 1012598843 /nfs/dbraw/zinc/59/88/43/1012598843.db2.gz VRVBPSFOYMJZQM-XMMPIXPASA-N 2 2 424.976 3.909 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537189677 1012602009 /nfs/dbraw/zinc/60/20/09/1012602009.db2.gz ZTQZPXMKEPDRJF-ZEQRLZLVSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537189677 1012602019 /nfs/dbraw/zinc/60/20/19/1012602019.db2.gz ZTQZPXMKEPDRJF-ZEQRLZLVSA-N 2 2 410.606 3.896 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000541891658 1012757586 /nfs/dbraw/zinc/75/75/86/1012757586.db2.gz LNXYDTOPULSHLZ-QHCPKHFHSA-N 2 2 402.542 3.646 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000541891658 1012757595 /nfs/dbraw/zinc/75/75/95/1012757595.db2.gz LNXYDTOPULSHLZ-QHCPKHFHSA-N 2 2 402.542 3.646 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000541918833 1012777705 /nfs/dbraw/zinc/77/77/05/1012777705.db2.gz BQNGVDZZQAYKCI-UHFFFAOYSA-N 2 2 404.574 3.519 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000541918833 1012777716 /nfs/dbraw/zinc/77/77/16/1012777716.db2.gz BQNGVDZZQAYKCI-UHFFFAOYSA-N 2 2 404.574 3.519 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807717 1012813198 /nfs/dbraw/zinc/81/31/98/1012813198.db2.gz RCYNNORMAGMILB-MRXNPFEDSA-N 2 2 423.355 3.532 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807717 1012813221 /nfs/dbraw/zinc/81/32/21/1012813221.db2.gz RCYNNORMAGMILB-MRXNPFEDSA-N 2 2 423.355 3.532 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542011830 1012895734 /nfs/dbraw/zinc/89/57/34/1012895734.db2.gz ZNDXMGWFKCMUKG-CCKFTAQKSA-N 2 2 421.948 3.977 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542011830 1012895753 /nfs/dbraw/zinc/89/57/53/1012895753.db2.gz ZNDXMGWFKCMUKG-CCKFTAQKSA-N 2 2 421.948 3.977 20 0 HHADLP CCC(CC)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCCC1 ZINC000542108118 1013040753 /nfs/dbraw/zinc/04/07/53/1013040753.db2.gz WRNYYDCGQMNDBR-JOCHJYFZSA-N 2 2 403.615 3.986 20 0 HHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683758 1071805395 /nfs/dbraw/zinc/80/53/95/1071805395.db2.gz ZZFLOPKKFWNJGK-BJKOFHAPSA-N 2 2 402.542 3.551 20 0 HHADLP c1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683758 1071805413 /nfs/dbraw/zinc/80/54/13/1071805413.db2.gz ZZFLOPKKFWNJGK-BJKOFHAPSA-N 2 2 402.542 3.551 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729684218 1071804296 /nfs/dbraw/zinc/80/42/96/1071804296.db2.gz MASRYYRXUSIAKH-PKTZIBPZSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729684218 1071804314 /nfs/dbraw/zinc/80/43/14/1071804314.db2.gz MASRYYRXUSIAKH-PKTZIBPZSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683949 1071805304 /nfs/dbraw/zinc/80/53/04/1071805304.db2.gz HGTNKQUPGKYQQS-DNQXCXABSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683949 1071805322 /nfs/dbraw/zinc/80/53/22/1071805322.db2.gz HGTNKQUPGKYQQS-DNQXCXABSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684553 1071808556 /nfs/dbraw/zinc/80/85/56/1071808556.db2.gz QYKKQDCRILIVBE-BJKOFHAPSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684553 1071808578 /nfs/dbraw/zinc/80/85/78/1071808578.db2.gz QYKKQDCRILIVBE-BJKOFHAPSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684627 1071821861 /nfs/dbraw/zinc/82/18/61/1071821861.db2.gz UQXPQTWOHGGADE-JWQCQUIFSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684627 1071821874 /nfs/dbraw/zinc/82/18/74/1071821874.db2.gz UQXPQTWOHGGADE-JWQCQUIFSA-N 2 2 416.569 3.860 20 0 HHADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000570268099 1072216446 /nfs/dbraw/zinc/21/64/46/1072216446.db2.gz KRQMESSVTPVRTA-HXUWFJFHSA-N 2 2 402.583 3.810 20 0 HHADLP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555560888 1073629949 /nfs/dbraw/zinc/62/99/49/1073629949.db2.gz SSGPDEANNHNIPQ-RBBKRZOGSA-N 2 2 422.013 3.558 20 0 HHADLP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555560888 1073629954 /nfs/dbraw/zinc/62/99/54/1073629954.db2.gz SSGPDEANNHNIPQ-RBBKRZOGSA-N 2 2 422.013 3.558 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597820 1073664844 /nfs/dbraw/zinc/66/48/44/1073664844.db2.gz IFESSYSNAWAUKH-UQBPGWFLSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597820 1073664847 /nfs/dbraw/zinc/66/48/47/1073664847.db2.gz IFESSYSNAWAUKH-UQBPGWFLSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000555597820 1073664852 /nfs/dbraw/zinc/66/48/52/1073664852.db2.gz IFESSYSNAWAUKH-UQBPGWFLSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000555597820 1073664857 /nfs/dbraw/zinc/66/48/57/1073664857.db2.gz IFESSYSNAWAUKH-UQBPGWFLSA-N 2 2 409.574 3.613 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000555649673 1073704519 /nfs/dbraw/zinc/70/45/19/1073704519.db2.gz VCUKFQLUYYDVCQ-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000555649673 1073704528 /nfs/dbraw/zinc/70/45/28/1073704528.db2.gz VCUKFQLUYYDVCQ-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000591069248 1074115372 /nfs/dbraw/zinc/11/53/72/1074115372.db2.gz PBGJZWYBIFTSJI-HXUWFJFHSA-N 2 2 422.573 3.865 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000591069248 1074115376 /nfs/dbraw/zinc/11/53/76/1074115376.db2.gz PBGJZWYBIFTSJI-HXUWFJFHSA-N 2 2 422.573 3.865 20 0 HHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251630 1074187705 /nfs/dbraw/zinc/18/77/05/1074187705.db2.gz KEMULTXEQLBWSD-OFNKIYASSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H](c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251630 1074187710 /nfs/dbraw/zinc/18/77/10/1074187710.db2.gz KEMULTXEQLBWSD-OFNKIYASSA-N 2 2 407.558 3.931 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432695 1074295039 /nfs/dbraw/zinc/29/50/39/1074295039.db2.gz LNGPRXSIVCNFRI-UYAOXDASSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432695 1074295043 /nfs/dbraw/zinc/29/50/43/1074295043.db2.gz LNGPRXSIVCNFRI-UYAOXDASSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000591432695 1074295047 /nfs/dbraw/zinc/29/50/47/1074295047.db2.gz LNGPRXSIVCNFRI-UYAOXDASSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[N@H+]2CCc3sccc3C2)cc1 ZINC000591432695 1074295051 /nfs/dbraw/zinc/29/50/51/1074295051.db2.gz LNGPRXSIVCNFRI-UYAOXDASSA-N 2 2 415.628 3.637 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000591479842 1074336244 /nfs/dbraw/zinc/33/62/44/1074336244.db2.gz VLLJNZHDYOFULB-MOPGFXCFSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000591479842 1074336251 /nfs/dbraw/zinc/33/62/51/1074336251.db2.gz VLLJNZHDYOFULB-MOPGFXCFSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000591523336 1074366286 /nfs/dbraw/zinc/36/62/86/1074366286.db2.gz ZMBRBHXUTXTXPJ-PMACEKPBSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000591523336 1074366296 /nfs/dbraw/zinc/36/62/96/1074366296.db2.gz ZMBRBHXUTXTXPJ-PMACEKPBSA-N 2 2 402.583 3.856 20 0 HHADLP CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472326 1075617770 /nfs/dbraw/zinc/61/77/70/1075617770.db2.gz JNMMMXIEWFXHKG-FQEVSTJZSA-N 2 2 408.590 3.677 20 0 HHADLP CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472326 1075617771 /nfs/dbraw/zinc/61/77/71/1075617771.db2.gz JNMMMXIEWFXHKG-FQEVSTJZSA-N 2 2 408.590 3.677 20 0 HHADLP CN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473484 1075618329 /nfs/dbraw/zinc/61/83/29/1075618329.db2.gz FMUFJCMCUHXUOY-HSZRJFAPSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473484 1075618330 /nfs/dbraw/zinc/61/83/30/1075618330.db2.gz FMUFJCMCUHXUOY-HSZRJFAPSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474758 1075619296 /nfs/dbraw/zinc/61/92/96/1075619296.db2.gz RDUVQQZANFHLQB-IBGZPJMESA-N 2 2 413.537 3.645 20 0 HHADLP CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474758 1075619297 /nfs/dbraw/zinc/61/92/97/1075619297.db2.gz RDUVQQZANFHLQB-IBGZPJMESA-N 2 2 413.537 3.645 20 0 HHADLP CCCCc1ccc(C(=O)CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477080 1075619660 /nfs/dbraw/zinc/61/96/60/1075619660.db2.gz PSQGXBZJWJXXAO-QHCPKHFHSA-N 2 2 413.606 3.619 20 0 HHADLP CCCCc1ccc(C(=O)CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477080 1075619663 /nfs/dbraw/zinc/61/96/63/1075619663.db2.gz PSQGXBZJWJXXAO-QHCPKHFHSA-N 2 2 413.606 3.619 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479635 1075621485 /nfs/dbraw/zinc/62/14/85/1075621485.db2.gz YTNVKSWYXDRFJM-QHCPKHFHSA-N 2 2 400.611 3.554 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479635 1075621486 /nfs/dbraw/zinc/62/14/86/1075621486.db2.gz YTNVKSWYXDRFJM-QHCPKHFHSA-N 2 2 400.611 3.554 20 0 HHADLP CN(C(=O)N[C@H]1CC(C)(C)CCc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669607357 1075639922 /nfs/dbraw/zinc/63/99/22/1075639922.db2.gz GEGOGAADFIREMV-GMAHTHKFSA-N 2 2 412.622 3.900 20 0 HHADLP CN(C(=O)N[C@H]1CC(C)(C)CCc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669607357 1075639927 /nfs/dbraw/zinc/63/99/27/1075639927.db2.gz GEGOGAADFIREMV-GMAHTHKFSA-N 2 2 412.622 3.900 20 0 HHADLP Cc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[NH+]2CCCC2)o1 ZINC000597735411 1075696539 /nfs/dbraw/zinc/69/65/39/1075696539.db2.gz FFZRDBMZODHFMY-FQEVSTJZSA-N 2 2 416.591 3.518 20 0 HHADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccc(F)cc1 ZINC000602204712 1075713184 /nfs/dbraw/zinc/71/31/84/1075713184.db2.gz XNYJPGTXVKQZRP-SFHVURJKSA-N 2 2 401.551 3.761 20 0 HHADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccc(F)cc1 ZINC000602204712 1075713189 /nfs/dbraw/zinc/71/31/89/1075713189.db2.gz XNYJPGTXVKQZRP-SFHVURJKSA-N 2 2 401.551 3.761 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204680 1075713354 /nfs/dbraw/zinc/71/33/54/1075713354.db2.gz WPNQPLRQWAQITF-REWPJTCUSA-N 2 2 409.599 3.805 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204680 1075713358 /nfs/dbraw/zinc/71/33/58/1075713358.db2.gz WPNQPLRQWAQITF-REWPJTCUSA-N 2 2 409.599 3.805 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1 ZINC000602204470 1075713632 /nfs/dbraw/zinc/71/36/32/1075713632.db2.gz IZNIIZYUPLDJEN-QGZVFWFLSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1 ZINC000602204470 1075713635 /nfs/dbraw/zinc/71/36/35/1075713635.db2.gz IZNIIZYUPLDJEN-QGZVFWFLSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000602200620 1075717127 /nfs/dbraw/zinc/71/71/27/1075717127.db2.gz FFSWPEZFEZLQBC-OAHLLOKOSA-N 2 2 423.401 3.623 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000602200620 1075717128 /nfs/dbraw/zinc/71/71/28/1075717128.db2.gz FFSWPEZFEZLQBC-OAHLLOKOSA-N 2 2 423.401 3.623 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602201494 1075717545 /nfs/dbraw/zinc/71/75/45/1075717545.db2.gz QINWHNSDAZWNDW-OAQYLSRUSA-N 2 2 416.569 3.588 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602201494 1075717551 /nfs/dbraw/zinc/71/75/51/1075717551.db2.gz QINWHNSDAZWNDW-OAQYLSRUSA-N 2 2 416.569 3.588 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602201492 1075717643 /nfs/dbraw/zinc/71/76/43/1075717643.db2.gz QINWHNSDAZWNDW-NRFANRHFSA-N 2 2 416.569 3.588 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn(Cc4ccccc4)c4ccccc34)C2)CC1 ZINC000602201492 1075717647 /nfs/dbraw/zinc/71/76/47/1075717647.db2.gz QINWHNSDAZWNDW-NRFANRHFSA-N 2 2 416.569 3.588 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164658880 719353239 /nfs/dbraw/zinc/35/32/39/719353239.db2.gz KZTJDZWDQSKYGU-UHFFFAOYSA-N 2 2 402.546 3.667 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164658880 719353243 /nfs/dbraw/zinc/35/32/43/719353243.db2.gz KZTJDZWDQSKYGU-UHFFFAOYSA-N 2 2 402.546 3.667 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCCC4)[nH+]c(C)n2)CC3)cs1 ZINC001164691062 719804460 /nfs/dbraw/zinc/80/44/60/719804460.db2.gz DMOZGGGOMTXFDW-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCCC4)[nH+]c(C)n2)CC3)cs1 ZINC001164691062 719804461 /nfs/dbraw/zinc/80/44/61/719804461.db2.gz DMOZGGGOMTXFDW-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCCC4)nc(C)[nH+]2)CC3)cs1 ZINC001164691062 719804462 /nfs/dbraw/zinc/80/44/62/719804462.db2.gz DMOZGGGOMTXFDW-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCCC4)nc(C)[nH+]2)CC3)cs1 ZINC001164691062 719804464 /nfs/dbraw/zinc/80/44/64/719804464.db2.gz DMOZGGGOMTXFDW-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1F ZINC001164841373 720641086 /nfs/dbraw/zinc/64/10/86/720641086.db2.gz SFEMGQMQACPHAE-XQBPLPMBSA-N 2 2 423.536 3.957 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1F ZINC001164841373 720641091 /nfs/dbraw/zinc/64/10/91/720641091.db2.gz SFEMGQMQACPHAE-XQBPLPMBSA-N 2 2 423.536 3.957 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740218 720826315 /nfs/dbraw/zinc/82/63/15/720826315.db2.gz JPVCKQZDWQMVKA-MIZPHKNDSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740218 720826318 /nfs/dbraw/zinc/82/63/18/720826318.db2.gz JPVCKQZDWQMVKA-MIZPHKNDSA-N 2 2 402.546 3.514 20 0 HHADLP c1csc(C[NH+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@@H]3C2)n1 ZINC001164783358 721414322 /nfs/dbraw/zinc/41/43/22/721414322.db2.gz HZYYMXZCUJDVHK-OALUTQOASA-N 2 2 416.554 3.504 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301259625 970838103 /nfs/dbraw/zinc/83/81/03/970838103.db2.gz RSYRXLBHFVWHKC-PMACEKPBSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301259625 970838112 /nfs/dbraw/zinc/83/81/12/970838112.db2.gz RSYRXLBHFVWHKC-PMACEKPBSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000301259625 970838117 /nfs/dbraw/zinc/83/81/17/970838117.db2.gz RSYRXLBHFVWHKC-PMACEKPBSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000301259625 970838128 /nfs/dbraw/zinc/83/81/28/970838128.db2.gz RSYRXLBHFVWHKC-PMACEKPBSA-N 2 2 409.578 3.672 20 0 HHADLP COc1cc2[nH+]c(N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)nc(N)c2cc1OC ZINC000301726014 971042891 /nfs/dbraw/zinc/04/28/91/971042891.db2.gz AJBNGNNEOLYQNN-CYBMUJFWSA-N 2 2 404.474 3.896 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000542134086 1013066735 /nfs/dbraw/zinc/06/67/35/1013066735.db2.gz ZRCKMAFRGFPOIP-UHFFFAOYSA-N 2 2 422.495 3.966 20 0 HHADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303025984 971462967 /nfs/dbraw/zinc/46/29/67/971462967.db2.gz OFFYJGVJUHANJJ-HSZRJFAPSA-N 2 2 408.590 3.611 20 0 HHADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303025984 971462974 /nfs/dbraw/zinc/46/29/74/971462974.db2.gz OFFYJGVJUHANJJ-HSZRJFAPSA-N 2 2 408.590 3.611 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000303301312 971612221 /nfs/dbraw/zinc/61/22/21/971612221.db2.gz YYABGMWPRANJHB-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000303301312 971612224 /nfs/dbraw/zinc/61/22/24/971612224.db2.gz YYABGMWPRANJHB-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP O=C1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000303588778 971881490 /nfs/dbraw/zinc/88/14/90/971881490.db2.gz RIWSLSCFXLHBQF-LJQANCHMSA-N 2 2 416.403 3.666 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000303595977 971887501 /nfs/dbraw/zinc/88/75/01/971887501.db2.gz IYYUZAPOBKAGBX-QPPBQGQZSA-N 2 2 421.589 3.615 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178761 1013117356 /nfs/dbraw/zinc/11/73/56/1013117356.db2.gz JJSCUNAHTIYTGT-OALUTQOASA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178761 1013117352 /nfs/dbraw/zinc/11/73/52/1013117352.db2.gz JJSCUNAHTIYTGT-OALUTQOASA-N 2 2 409.521 3.697 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542179532 1013117589 /nfs/dbraw/zinc/11/75/89/1013117589.db2.gz NJJOPMKYVRJERQ-BDTNDASRSA-N 2 2 419.585 3.779 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542179532 1013117594 /nfs/dbraw/zinc/11/75/94/1013117594.db2.gz NJJOPMKYVRJERQ-BDTNDASRSA-N 2 2 419.585 3.779 20 0 HHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000303791440 972030077 /nfs/dbraw/zinc/03/00/77/972030077.db2.gz UYHBSPZTWCKGBN-DYESRHJHSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000303791440 972030085 /nfs/dbraw/zinc/03/00/85/972030085.db2.gz UYHBSPZTWCKGBN-DYESRHJHSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791440 972030094 /nfs/dbraw/zinc/03/00/94/972030094.db2.gz UYHBSPZTWCKGBN-DYESRHJHSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791440 972030104 /nfs/dbraw/zinc/03/01/04/972030104.db2.gz UYHBSPZTWCKGBN-DYESRHJHSA-N 2 2 410.949 3.833 20 0 HHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553215739 1013179187 /nfs/dbraw/zinc/17/91/87/1013179187.db2.gz MTYGYLCRASVSAZ-GOTSBHOMSA-N 2 2 403.526 3.891 20 0 HHADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553215739 1013179198 /nfs/dbraw/zinc/17/91/98/1013179198.db2.gz MTYGYLCRASVSAZ-GOTSBHOMSA-N 2 2 403.526 3.891 20 0 HHADLP CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000542316203 1013272564 /nfs/dbraw/zinc/27/25/64/1013272564.db2.gz QLNHLZPVPJGOKR-UHFFFAOYSA-N 2 2 410.543 3.727 20 0 HHADLP Clc1ccccc1[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCOCC1 ZINC000542320540 1013276136 /nfs/dbraw/zinc/27/61/36/1013276136.db2.gz ZRGSARFAUWPMPW-FQEVSTJZSA-N 2 2 402.951 3.750 20 0 HHADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542339989 1013297532 /nfs/dbraw/zinc/29/75/32/1013297532.db2.gz CUKOJKQQPYZKLH-NRFANRHFSA-N 2 2 406.574 3.668 20 0 HHADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542339989 1013297536 /nfs/dbraw/zinc/29/75/36/1013297536.db2.gz CUKOJKQQPYZKLH-NRFANRHFSA-N 2 2 406.574 3.668 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000537810595 1013372895 /nfs/dbraw/zinc/37/28/95/1013372895.db2.gz SEUOSIUKWZUVNP-UHFFFAOYSA-N 2 2 409.578 3.916 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000537810595 1013372909 /nfs/dbraw/zinc/37/29/09/1013372909.db2.gz SEUOSIUKWZUVNP-UHFFFAOYSA-N 2 2 409.578 3.916 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCCC3)C2)c1 ZINC000553515767 1013415656 /nfs/dbraw/zinc/41/56/56/1013415656.db2.gz JSMOXEDFFLBSHP-LJQANCHMSA-N 2 2 418.545 3.519 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OCc3cccnc3)cc2)CC1 ZINC000048783017 964059903 /nfs/dbraw/zinc/05/99/03/964059903.db2.gz CJMIVOVTEXNYII-UHFFFAOYSA-N 2 2 416.569 3.698 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000048965398 964099505 /nfs/dbraw/zinc/09/95/05/964099505.db2.gz HJIRPWKNHKYFIL-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000048965398 964099515 /nfs/dbraw/zinc/09/95/15/964099515.db2.gz HJIRPWKNHKYFIL-DEOSSOPVSA-N 2 2 417.557 3.568 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000025058536 964156846 /nfs/dbraw/zinc/15/68/46/964156846.db2.gz FTCROXYVUFDIFX-VXKWHMMOSA-N 2 2 421.585 3.562 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000049799133 964217739 /nfs/dbraw/zinc/21/77/39/964217739.db2.gz UQRNNALXYDJGIX-QHCPKHFHSA-N 2 2 405.546 3.596 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050254806 964296737 /nfs/dbraw/zinc/29/67/37/964296737.db2.gz CSVGINOGIYXERV-UHFFFAOYSA-N 2 2 401.407 3.838 20 0 HHADLP Cc1csc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000542552332 1013495461 /nfs/dbraw/zinc/49/54/61/1013495461.db2.gz FGDMTECWEGDUCH-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1csc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)n1 ZINC000542552332 1013495466 /nfs/dbraw/zinc/49/54/66/1013495466.db2.gz FGDMTECWEGDUCH-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797668 964399535 /nfs/dbraw/zinc/39/95/35/964399535.db2.gz MHQSMGFMPIHBFP-UHFFFAOYSA-N 2 2 413.587 3.712 20 0 HHADLP COc1ccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCCC2)cc1 ZINC000050797281 964400157 /nfs/dbraw/zinc/40/01/57/964400157.db2.gz UXUGSGGJDQIHFZ-UHFFFAOYSA-N 2 2 413.606 3.572 20 0 HHADLP CCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OCCC ZINC000050803157 964402811 /nfs/dbraw/zinc/40/28/11/964402811.db2.gz CIRZELHQCZEVJW-UHFFFAOYSA-N 2 2 417.594 3.553 20 0 HHADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)n2)cc1 ZINC000553608330 1013494786 /nfs/dbraw/zinc/49/47/86/1013494786.db2.gz UNBHAIJAGQJMBG-KRWDZBQOSA-N 2 2 416.323 3.847 20 0 HHADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@H+]3CCCn3cc[nH+]c3)n2)cc1 ZINC000553608330 1013494795 /nfs/dbraw/zinc/49/47/95/1013494795.db2.gz UNBHAIJAGQJMBG-KRWDZBQOSA-N 2 2 416.323 3.847 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000542556371 1013499166 /nfs/dbraw/zinc/49/91/66/1013499166.db2.gz DLOIHGAOUOUNLT-QGZVFWFLSA-N 2 2 407.967 3.913 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(CCc4ccccc4)CC3)CC2)CC1 ZINC000051759060 964689194 /nfs/dbraw/zinc/68/91/94/964689194.db2.gz IRTUYARIPHJSEP-UHFFFAOYSA-N 2 2 412.622 3.599 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000537948348 1013531168 /nfs/dbraw/zinc/53/11/68/1013531168.db2.gz IVLAESHISQMSQD-MSOLQXFVSA-N 2 2 416.591 3.719 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000537948350 1013530825 /nfs/dbraw/zinc/53/08/25/1013530825.db2.gz IVLAESHISQMSQD-ROUUACIJSA-N 2 2 416.591 3.719 20 0 HHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537952946 1013533449 /nfs/dbraw/zinc/53/34/49/1013533449.db2.gz ZESMYVHEVSWGLF-WMZHIEFXSA-N 2 2 424.589 3.815 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609472 1013544676 /nfs/dbraw/zinc/54/46/76/1013544676.db2.gz LCROEASUDZOIKA-JPYJTQIMSA-N 2 2 415.541 3.962 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609472 1013544690 /nfs/dbraw/zinc/54/46/90/1013544690.db2.gz LCROEASUDZOIKA-JPYJTQIMSA-N 2 2 415.541 3.962 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609474 1013545071 /nfs/dbraw/zinc/54/50/71/1013545071.db2.gz LCROEASUDZOIKA-WZONZLPQSA-N 2 2 415.541 3.962 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609474 1013545078 /nfs/dbraw/zinc/54/50/78/1013545078.db2.gz LCROEASUDZOIKA-WZONZLPQSA-N 2 2 415.541 3.962 20 0 HHADLP CCCC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000537976046 1013552210 /nfs/dbraw/zinc/55/22/10/1013552210.db2.gz JRVRGFBMEYGFSW-YADHBBJMSA-N 2 2 409.578 3.803 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000057783326 965545060 /nfs/dbraw/zinc/54/50/60/965545060.db2.gz AMMYTGMQZPQVHI-HXUWFJFHSA-N 2 2 421.589 3.913 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000057783326 965545074 /nfs/dbraw/zinc/54/50/74/965545074.db2.gz AMMYTGMQZPQVHI-HXUWFJFHSA-N 2 2 421.589 3.913 20 0 HHADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000030903887 965827992 /nfs/dbraw/zinc/82/79/92/965827992.db2.gz QBNQOABMOBQAJW-HXUWFJFHSA-N 2 2 418.965 3.646 20 0 HHADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000030903887 965828003 /nfs/dbraw/zinc/82/80/03/965828003.db2.gz QBNQOABMOBQAJW-HXUWFJFHSA-N 2 2 418.965 3.646 20 0 HHADLP CCc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000058784128 965897411 /nfs/dbraw/zinc/89/74/11/965897411.db2.gz ZERAFCJJFDUQCP-XZOQPEGZSA-N 2 2 411.615 3.758 20 0 HHADLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000060335599 966095550 /nfs/dbraw/zinc/09/55/50/966095550.db2.gz VXHGAWBVIFUHLK-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000060335599 966095563 /nfs/dbraw/zinc/09/55/63/966095563.db2.gz VXHGAWBVIFUHLK-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377473 966121046 /nfs/dbraw/zinc/12/10/46/966121046.db2.gz CFLDXKHPRKCSEF-QGZVFWFLSA-N 2 2 400.954 3.906 20 0 HHADLP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377473 966121054 /nfs/dbraw/zinc/12/10/54/966121054.db2.gz CFLDXKHPRKCSEF-QGZVFWFLSA-N 2 2 400.954 3.906 20 0 HHADLP CC(C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000060616761 966231261 /nfs/dbraw/zinc/23/12/61/966231261.db2.gz NGCJDHQHXZYFPS-XMMPIXPASA-N 2 2 402.542 3.744 20 0 HHADLP CC(C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000060616761 966231265 /nfs/dbraw/zinc/23/12/65/966231265.db2.gz NGCJDHQHXZYFPS-XMMPIXPASA-N 2 2 402.542 3.744 20 0 HHADLP CCOc1c(Br)cc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063302 966519058 /nfs/dbraw/zinc/51/90/58/966519058.db2.gz BIRHLSABUOYTRF-UHFFFAOYSA-N 2 2 403.118 3.597 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000553882062 1013674539 /nfs/dbraw/zinc/67/45/39/1013674539.db2.gz QHBIFZSWVRJTIR-GOTSBHOMSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000553882062 1013674543 /nfs/dbraw/zinc/67/45/43/1013674543.db2.gz QHBIFZSWVRJTIR-GOTSBHOMSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000553882066 1013674738 /nfs/dbraw/zinc/67/47/38/1013674738.db2.gz QHBIFZSWVRJTIR-XZOQPEGZSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000553882066 1013674744 /nfs/dbraw/zinc/67/47/44/1013674744.db2.gz QHBIFZSWVRJTIR-XZOQPEGZSA-N 2 2 408.590 3.637 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3C[NH+]3CCCC3)cn2c1 ZINC000042396131 966791218 /nfs/dbraw/zinc/79/12/18/966791218.db2.gz RKSJKZLXLCQSJN-UHFFFAOYSA-N 2 2 408.571 3.788 20 0 HHADLP Cc1sc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)nc1-c1ccc(Cl)cc1 ZINC000538118021 1013679124 /nfs/dbraw/zinc/67/91/24/1013679124.db2.gz OYBLVUHFTPWGPF-UHFFFAOYSA-N 2 2 403.939 3.929 20 0 HHADLP Cc1sc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)nc1-c1ccc(Cl)cc1 ZINC000538118021 1013679129 /nfs/dbraw/zinc/67/91/29/1013679129.db2.gz OYBLVUHFTPWGPF-UHFFFAOYSA-N 2 2 403.939 3.929 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000538118863 1013680210 /nfs/dbraw/zinc/68/02/10/1013680210.db2.gz LIUZOFFVFCOILZ-ZWKOTPCHSA-N 2 2 417.500 3.844 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000542830711 1013695817 /nfs/dbraw/zinc/69/58/17/1013695817.db2.gz KGOGUCRXICFAOW-UHFFFAOYSA-N 2 2 407.562 3.977 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045182043 967371222 /nfs/dbraw/zinc/37/12/22/967371222.db2.gz AFGQKVNFJXVNPX-UHFFFAOYSA-N 2 2 401.942 3.501 20 0 HHADLP COc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045327831 967423902 /nfs/dbraw/zinc/42/39/02/967423902.db2.gz ZFPYLOCJUPJBMM-HSZRJFAPSA-N 2 2 422.573 3.746 20 0 HHADLP COc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045327831 967423908 /nfs/dbraw/zinc/42/39/08/967423908.db2.gz ZFPYLOCJUPJBMM-HSZRJFAPSA-N 2 2 422.573 3.746 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000045463520 967468793 /nfs/dbraw/zinc/46/87/93/967468793.db2.gz MQATWTYIIWEIOC-RTBURBONSA-N 2 2 402.583 3.538 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048221536 968489980 /nfs/dbraw/zinc/48/99/80/968489980.db2.gz MSORDXFCXLYOEW-UHFFFAOYSA-N 2 2 407.562 3.536 20 0 HHADLP Cn1ccc([C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260881 1013802159 /nfs/dbraw/zinc/80/21/59/1013802159.db2.gz KICAUWYLMVYTAD-JWQCQUIFSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccc([C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260881 1013802168 /nfs/dbraw/zinc/80/21/68/1013802168.db2.gz KICAUWYLMVYTAD-JWQCQUIFSA-N 2 2 421.564 3.617 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000066038141 968778636 /nfs/dbraw/zinc/77/86/36/968778636.db2.gz CQDCVRQDOGVNHE-UHFFFAOYSA-N 2 2 404.624 3.620 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122615 969626535 /nfs/dbraw/zinc/62/65/35/969626535.db2.gz HGZNKGIEEGWWLW-XMMPIXPASA-N 2 2 409.574 3.548 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122615 969626541 /nfs/dbraw/zinc/62/65/41/969626541.db2.gz HGZNKGIEEGWWLW-XMMPIXPASA-N 2 2 409.574 3.548 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122615 969626547 /nfs/dbraw/zinc/62/65/47/969626547.db2.gz HGZNKGIEEGWWLW-XMMPIXPASA-N 2 2 409.574 3.548 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122615 969626551 /nfs/dbraw/zinc/62/65/51/969626551.db2.gz HGZNKGIEEGWWLW-XMMPIXPASA-N 2 2 409.574 3.548 20 0 HHADLP CCc1nc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)sc1C ZINC000110790750 969724110 /nfs/dbraw/zinc/72/41/10/969724110.db2.gz ATZGWIIUWRCYBQ-UHFFFAOYSA-N 2 2 400.592 3.796 20 0 HHADLP CCc1nc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC000110790750 969724115 /nfs/dbraw/zinc/72/41/15/969724115.db2.gz ATZGWIIUWRCYBQ-UHFFFAOYSA-N 2 2 400.592 3.796 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3SC(F)(F)F)CC2)CC1 ZINC000216003050 970059930 /nfs/dbraw/zinc/05/99/30/970059930.db2.gz SRRIXCLXRAGRAZ-UHFFFAOYSA-N 2 2 416.513 3.979 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000140634428 970082084 /nfs/dbraw/zinc/08/20/84/970082084.db2.gz CBZMELOBZYSSLX-UHFFFAOYSA-N 2 2 413.012 3.623 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000140634428 970082088 /nfs/dbraw/zinc/08/20/88/970082088.db2.gz CBZMELOBZYSSLX-UHFFFAOYSA-N 2 2 413.012 3.623 20 0 HHADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nc[nH+]1 ZINC000237103396 970223146 /nfs/dbraw/zinc/22/31/46/970223146.db2.gz PGJKJUPONWFQMI-HXUWFJFHSA-N 2 2 405.550 3.586 20 0 HHADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1ccc(F)cc1 ZINC000237227291 970244861 /nfs/dbraw/zinc/24/48/61/970244861.db2.gz VIRHGVHAHCIXDP-JOCHJYFZSA-N 2 2 416.537 3.596 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000148675727 970369500 /nfs/dbraw/zinc/36/95/00/970369500.db2.gz ITSYDJXMAFBGFP-FQEVSTJZSA-N 2 2 411.481 3.549 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[NH+](C)C)cc1 ZINC000554688475 1014013658 /nfs/dbraw/zinc/01/36/58/1014013658.db2.gz MZPFFWVOVXQKQK-IFMALSPDSA-N 2 2 411.594 3.599 20 0 HHADLP CC(C)c1cccc(O[C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000303966736 972552830 /nfs/dbraw/zinc/55/28/30/972552830.db2.gz QNXLDWOBCQZNMO-FQEVSTJZSA-N 2 2 401.595 3.644 20 0 HHADLP Fc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390889651 972831887 /nfs/dbraw/zinc/83/18/87/972831887.db2.gz YUSFXEXFKSOQLR-SFHVURJKSA-N 2 2 407.327 3.969 20 0 HHADLP Fc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390889651 972831895 /nfs/dbraw/zinc/83/18/95/972831895.db2.gz YUSFXEXFKSOQLR-SFHVURJKSA-N 2 2 407.327 3.969 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000409613611 973061878 /nfs/dbraw/zinc/06/18/78/973061878.db2.gz PMRZQADCDGGCMI-UHFFFAOYSA-N 2 2 419.613 3.763 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000425985641 974096951 /nfs/dbraw/zinc/09/69/51/974096951.db2.gz SEPNHCUOCOHVCZ-HNNXBMFYSA-N 2 2 411.472 3.815 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000425985641 974096959 /nfs/dbraw/zinc/09/69/59/974096959.db2.gz SEPNHCUOCOHVCZ-HNNXBMFYSA-N 2 2 411.472 3.815 20 0 HHADLP C[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988845 974100776 /nfs/dbraw/zinc/10/07/76/974100776.db2.gz PQUGZIZGIMIMST-GOTSBHOMSA-N 2 2 403.530 3.543 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988845 974100780 /nfs/dbraw/zinc/10/07/80/974100780.db2.gz PQUGZIZGIMIMST-GOTSBHOMSA-N 2 2 403.530 3.543 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426025936 974146499 /nfs/dbraw/zinc/14/64/99/974146499.db2.gz XGGIHTSBDPVXHK-GCAMRICFSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426025936 974146502 /nfs/dbraw/zinc/14/65/02/974146502.db2.gz XGGIHTSBDPVXHK-GCAMRICFSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426030706 974152078 /nfs/dbraw/zinc/15/20/78/974152078.db2.gz VDFCOTMUYWDAKD-UEVCKROQSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426030706 974152083 /nfs/dbraw/zinc/15/20/83/974152083.db2.gz VDFCOTMUYWDAKD-UEVCKROQSA-N 2 2 409.578 3.923 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccsc1 ZINC000426033940 974156009 /nfs/dbraw/zinc/15/60/09/974156009.db2.gz GQMLUTRBBBLGMK-NJDAHSKKSA-N 2 2 409.559 3.775 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426249610 974344189 /nfs/dbraw/zinc/34/41/89/974344189.db2.gz QOFFHPSVPGBEBM-JRFVFWCSSA-N 2 2 415.541 3.685 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426249610 974344194 /nfs/dbraw/zinc/34/41/94/974344194.db2.gz QOFFHPSVPGBEBM-JRFVFWCSSA-N 2 2 415.541 3.685 20 0 HHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000426460476 974464348 /nfs/dbraw/zinc/46/43/48/974464348.db2.gz OZKGMAKJWVRKSL-UHFFFAOYSA-N 2 2 410.562 3.575 20 0 HHADLP CC[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)CCC(F)(F)F ZINC000427264215 975013077 /nfs/dbraw/zinc/01/30/77/975013077.db2.gz CBOUEUZIKBSLIH-KRWDZBQOSA-N 2 2 414.516 3.884 20 0 HHADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)CCC(F)(F)F ZINC000427264215 975013081 /nfs/dbraw/zinc/01/30/81/975013081.db2.gz CBOUEUZIKBSLIH-KRWDZBQOSA-N 2 2 414.516 3.884 20 0 HHADLP CCc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427852952 975321714 /nfs/dbraw/zinc/32/17/14/975321714.db2.gz GKUUWIUXQXISGN-NFBKMPQASA-N 2 2 409.555 3.543 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428427897 975742334 /nfs/dbraw/zinc/74/23/34/975742334.db2.gz SVGMRFPCBPWZET-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428427897 975742340 /nfs/dbraw/zinc/74/23/40/975742340.db2.gz SVGMRFPCBPWZET-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428427897 975742343 /nfs/dbraw/zinc/74/23/43/975742343.db2.gz SVGMRFPCBPWZET-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428427897 975742353 /nfs/dbraw/zinc/74/23/53/975742353.db2.gz SVGMRFPCBPWZET-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1ccccn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428430846 975744974 /nfs/dbraw/zinc/74/49/74/975744974.db2.gz JOBYHUAJRYPBHT-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428430846 975744979 /nfs/dbraw/zinc/74/49/79/975744979.db2.gz JOBYHUAJRYPBHT-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428430846 975744987 /nfs/dbraw/zinc/74/49/87/975744987.db2.gz JOBYHUAJRYPBHT-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428430846 975745006 /nfs/dbraw/zinc/74/50/06/975745006.db2.gz JOBYHUAJRYPBHT-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539865 975840883 /nfs/dbraw/zinc/84/08/83/975840883.db2.gz QQSZPNFZJBBYFF-NFBKMPQASA-N 2 2 422.573 3.699 20 0 HHADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539865 975840901 /nfs/dbraw/zinc/84/09/01/975840901.db2.gz QQSZPNFZJBBYFF-NFBKMPQASA-N 2 2 422.573 3.699 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000428578385 975889777 /nfs/dbraw/zinc/88/97/77/975889777.db2.gz YXABLZLTWXNYKY-LJQANCHMSA-N 2 2 417.623 3.841 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000428578385 975889787 /nfs/dbraw/zinc/88/97/87/975889787.db2.gz YXABLZLTWXNYKY-LJQANCHMSA-N 2 2 417.623 3.841 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428814288 976093449 /nfs/dbraw/zinc/09/34/49/976093449.db2.gz GFSKPNCVOIMBSF-IFMALSPDSA-N 2 2 411.594 3.920 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428814288 976093456 /nfs/dbraw/zinc/09/34/56/976093456.db2.gz GFSKPNCVOIMBSF-IFMALSPDSA-N 2 2 411.594 3.920 20 0 HHADLP COCC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@H]1CC=CCC1 ZINC000428937002 976237117 /nfs/dbraw/zinc/23/71/17/976237117.db2.gz CHQQRVDPINXODP-IBGZPJMESA-N 2 2 420.623 3.618 20 0 HHADLP COCC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@H]1CC=CCC1 ZINC000428937002 976237130 /nfs/dbraw/zinc/23/71/30/976237130.db2.gz CHQQRVDPINXODP-IBGZPJMESA-N 2 2 420.623 3.618 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428965067 976254171 /nfs/dbraw/zinc/25/41/71/976254171.db2.gz HLJVFWSYSFMRRJ-RBBKRZOGSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428965067 976254180 /nfs/dbraw/zinc/25/41/80/976254180.db2.gz HLJVFWSYSFMRRJ-RBBKRZOGSA-N 2 2 411.594 3.778 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000429220003 976512663 /nfs/dbraw/zinc/51/26/63/976512663.db2.gz DCDZDPRRZFGEML-UHFFFAOYSA-N 2 2 416.957 3.617 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441134 976720140 /nfs/dbraw/zinc/72/01/40/976720140.db2.gz JBMYKUVIXCIPNU-WIYYLYMNSA-N 2 2 407.558 3.858 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441134 976720145 /nfs/dbraw/zinc/72/01/45/976720145.db2.gz JBMYKUVIXCIPNU-WIYYLYMNSA-N 2 2 407.558 3.858 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074547 /nfs/dbraw/zinc/07/45/47/977074547.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074558 /nfs/dbraw/zinc/07/45/58/977074558.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074572 /nfs/dbraw/zinc/07/45/72/977074572.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798604 977074582 /nfs/dbraw/zinc/07/45/82/977074582.db2.gz JKCVJJQQPACYCM-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809828 977084180 /nfs/dbraw/zinc/08/41/80/977084180.db2.gz ABZDUFRYHVKNCZ-XZOYJPPVSA-N 2 2 411.615 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809828 977084192 /nfs/dbraw/zinc/08/41/92/977084192.db2.gz ABZDUFRYHVKNCZ-XZOYJPPVSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809828 977084204 /nfs/dbraw/zinc/08/42/04/977084204.db2.gz ABZDUFRYHVKNCZ-XZOYJPPVSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809828 977084218 /nfs/dbraw/zinc/08/42/18/977084218.db2.gz ABZDUFRYHVKNCZ-XZOYJPPVSA-N 2 2 411.615 3.884 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430035340 977286605 /nfs/dbraw/zinc/28/66/05/977286605.db2.gz WKLJKVUQEBRJSE-UHFFFAOYSA-N 2 2 400.954 3.565 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430549669 977626346 /nfs/dbraw/zinc/62/63/46/977626346.db2.gz NKYUZCRWUYJVLZ-KRWDZBQOSA-N 2 2 414.941 3.590 20 0 HHADLP CC(C)c1cccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430908659 977874972 /nfs/dbraw/zinc/87/49/72/977874972.db2.gz KKSUIBMUDYOLFF-UHFFFAOYSA-N 3 2 414.638 3.877 20 0 HHADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430908659 977874984 /nfs/dbraw/zinc/87/49/84/977874984.db2.gz KKSUIBMUDYOLFF-UHFFFAOYSA-N 3 2 414.638 3.877 20 0 HHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910129 977877196 /nfs/dbraw/zinc/87/71/96/977877196.db2.gz RSFRNPJVKCFHMJ-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910129 977877205 /nfs/dbraw/zinc/87/72/05/977877205.db2.gz RSFRNPJVKCFHMJ-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(-c2nnc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000430953341 977910336 /nfs/dbraw/zinc/91/03/36/977910336.db2.gz SWECDFAUDYHKQH-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP Cc1ccc(-c2nnc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000430953341 977910338 /nfs/dbraw/zinc/91/03/38/977910338.db2.gz SWECDFAUDYHKQH-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000431694193 978440890 /nfs/dbraw/zinc/44/08/90/978440890.db2.gz UDMWHFGXZXWZNS-PGRDOPGGSA-N 2 2 416.585 3.699 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000431779022 978506864 /nfs/dbraw/zinc/50/68/64/978506864.db2.gz PTLLOMCAOCGGHQ-DEOSSOPVSA-N 2 2 402.542 3.736 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)[NH+](CC)CC)cc1 ZINC000431825534 978539688 /nfs/dbraw/zinc/53/96/88/978539688.db2.gz XHHXRNHRJAYLNV-JOCHJYFZSA-N 2 2 411.594 3.707 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431868268 978562142 /nfs/dbraw/zinc/56/21/42/978562142.db2.gz GABOGOIQHADFDJ-SFTDATJTSA-N 2 2 401.599 3.772 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432448660 978817684 /nfs/dbraw/zinc/81/76/84/978817684.db2.gz JREBYRNWLVHDML-FGZHOGPDSA-N 2 2 411.594 3.955 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433401633 979277932 /nfs/dbraw/zinc/27/79/32/979277932.db2.gz SYDBJLZVAKPEQE-TYPHKJRUSA-N 2 2 408.558 3.517 20 0 HHADLP C[NH+](C)[C@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000433770820 979562389 /nfs/dbraw/zinc/56/23/89/979562389.db2.gz JPBWKDWSWNETPR-ZWKOTPCHSA-N 2 2 423.483 3.561 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000433944607 979704133 /nfs/dbraw/zinc/70/41/33/979704133.db2.gz WYSQQFYVVPYIHL-OAQYLSRUSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433946118 979704898 /nfs/dbraw/zinc/70/48/98/979704898.db2.gz ODWJELKJOMYJHD-JXALWOEJSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433946118 979704902 /nfs/dbraw/zinc/70/49/02/979704902.db2.gz ODWJELKJOMYJHD-JXALWOEJSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)([NH+](C)C)C1 ZINC000434268752 980030275 /nfs/dbraw/zinc/03/02/75/980030275.db2.gz DHFMSMDNMJDYFP-WZONZLPQSA-N 2 2 401.599 3.619 20 0 HHADLP COCCCn1c(C)cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000434686302 980338570 /nfs/dbraw/zinc/33/85/70/980338570.db2.gz SOANLJMISSIRDO-UHFFFAOYSA-N 2 2 412.578 3.737 20 0 HHADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434691098 980343106 /nfs/dbraw/zinc/34/31/06/980343106.db2.gz NPDMHDUUADATLD-UHFFFAOYSA-N 2 2 408.590 3.881 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000435001861 980561950 /nfs/dbraw/zinc/56/19/50/980561950.db2.gz WWJPJQKGLXGPDE-DEOSSOPVSA-N 2 2 406.505 3.976 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@](C)(CCc4ccccc4)C3)CC2)CC1 ZINC000435413314 980848382 /nfs/dbraw/zinc/84/83/82/980848382.db2.gz AFFVIBKVRYXIIW-RUZDIDTESA-N 2 2 412.622 3.599 20 0 HHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2ccccc2c1O ZINC000436585041 981460808 /nfs/dbraw/zinc/46/08/08/981460808.db2.gz OUZNBBRZSJBYFA-UHFFFAOYSA-N 2 2 409.574 3.814 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436608489 981472216 /nfs/dbraw/zinc/47/22/16/981472216.db2.gz UQPOBHFMBWYBNL-XZOQPEGZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436608489 981472218 /nfs/dbraw/zinc/47/22/18/981472218.db2.gz UQPOBHFMBWYBNL-XZOQPEGZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436609332 981472360 /nfs/dbraw/zinc/47/23/60/981472360.db2.gz WCFDQQVPOPEUHW-PKTZIBPZSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436609332 981472363 /nfs/dbraw/zinc/47/23/63/981472363.db2.gz WCFDQQVPOPEUHW-PKTZIBPZSA-N 2 2 413.606 3.680 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448234783 981644334 /nfs/dbraw/zinc/64/43/34/981644334.db2.gz RELSSLXBFYSIJT-QFBILLFUSA-N 2 2 403.596 3.610 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448234783 981644337 /nfs/dbraw/zinc/64/43/37/981644337.db2.gz RELSSLXBFYSIJT-QFBILLFUSA-N 2 2 403.596 3.610 20 0 HHADLP Cc1nn(C)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1Br ZINC000448344193 981711317 /nfs/dbraw/zinc/71/13/17/981711317.db2.gz MVBOIBRWYDSBJZ-UHFFFAOYSA-N 2 2 405.384 3.835 20 0 HHADLP Cc1nn(C)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1Br ZINC000448344193 981711325 /nfs/dbraw/zinc/71/13/25/981711325.db2.gz MVBOIBRWYDSBJZ-UHFFFAOYSA-N 2 2 405.384 3.835 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000437056095 981727247 /nfs/dbraw/zinc/72/72/47/981727247.db2.gz JBRWJIRZEXKTSW-RDPSFJRHSA-N 2 2 406.574 3.598 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000437056095 981727251 /nfs/dbraw/zinc/72/72/51/981727251.db2.gz JBRWJIRZEXKTSW-RDPSFJRHSA-N 2 2 406.574 3.598 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000437068080 981740270 /nfs/dbraw/zinc/74/02/70/981740270.db2.gz GQUNNPPPSQXXST-HYBUGGRVSA-N 2 2 412.622 3.806 20 0 HHADLP CCc1nc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000460345765 982116777 /nfs/dbraw/zinc/11/67/77/982116777.db2.gz IAOOJUJROUUWTG-JIPZTSHUSA-N 2 2 400.592 3.699 20 0 HHADLP CCc1nc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000460345765 982116779 /nfs/dbraw/zinc/11/67/79/982116779.db2.gz IAOOJUJROUUWTG-JIPZTSHUSA-N 2 2 400.592 3.699 20 0 HHADLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Oc1ccncc1 ZINC000460480013 982272670 /nfs/dbraw/zinc/27/26/70/982272670.db2.gz LGBUKYUJWYIISX-UHFFFAOYSA-N 2 2 422.573 3.862 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(COc3ccccc3)cc2)([NH+]2CCCCC2)CC1 ZINC000460480414 982272737 /nfs/dbraw/zinc/27/27/37/982272737.db2.gz NOHPELODGROAGJ-UHFFFAOYSA-N 2 2 421.585 3.946 20 0 HHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460502404 982290949 /nfs/dbraw/zinc/29/09/49/982290949.db2.gz IFPDUPOQLGBXMB-FSSWDIPSSA-N 2 2 407.643 3.530 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460502600 982292082 /nfs/dbraw/zinc/29/20/82/982292082.db2.gz WQUYZYCREJNIMV-UHFFFAOYSA-N 2 2 414.638 3.993 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460505965 982294953 /nfs/dbraw/zinc/29/49/53/982294953.db2.gz YKRKTXUZLMAVQB-NRFANRHFSA-N 2 2 415.622 3.952 20 0 HHADLP CCC(CC)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000460787543 982540291 /nfs/dbraw/zinc/54/02/91/982540291.db2.gz DABGTBDYLSRDNU-JOCHJYFZSA-N 2 2 422.013 3.558 20 0 HHADLP CC(C)n1ncc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc21 ZINC000438091177 982582946 /nfs/dbraw/zinc/58/29/46/982582946.db2.gz AIWQAZAKLJJTQI-UHFFFAOYSA-N 2 2 412.582 3.689 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000438168550 982628216 /nfs/dbraw/zinc/62/82/16/982628216.db2.gz SDEBKDCGHGZNIV-OAQYLSRUSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000438168550 982628217 /nfs/dbraw/zinc/62/82/17/982628217.db2.gz SDEBKDCGHGZNIV-OAQYLSRUSA-N 2 2 413.610 3.906 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3CC[NH+](C)C)c2C1 ZINC000438561945 982903311 /nfs/dbraw/zinc/90/33/11/982903311.db2.gz NCCYMJZJKQXFOG-UHFFFAOYSA-N 2 2 402.542 3.969 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3CC[NH+](C)C)c2C1 ZINC000438561945 982903313 /nfs/dbraw/zinc/90/33/13/982903313.db2.gz NCCYMJZJKQXFOG-UHFFFAOYSA-N 2 2 402.542 3.969 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439911 983103817 /nfs/dbraw/zinc/10/38/17/983103817.db2.gz VWNPBHRFSBWAGZ-BJKOFHAPSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439911 983103821 /nfs/dbraw/zinc/10/38/21/983103821.db2.gz VWNPBHRFSBWAGZ-BJKOFHAPSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461451812 983117553 /nfs/dbraw/zinc/11/75/53/983117553.db2.gz TVJLIYYADXNOPH-RPWUZVMVSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461451812 983117558 /nfs/dbraw/zinc/11/75/58/983117558.db2.gz TVJLIYYADXNOPH-RPWUZVMVSA-N 2 2 400.526 3.526 20 0 HHADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000439564387 983451878 /nfs/dbraw/zinc/45/18/78/983451878.db2.gz CQSKMTAABMPFKR-UHFFFAOYSA-N 2 2 407.436 3.989 20 0 HHADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000439564387 983451880 /nfs/dbraw/zinc/45/18/80/983451880.db2.gz CQSKMTAABMPFKR-UHFFFAOYSA-N 2 2 407.436 3.989 20 0 HHADLP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000440223727 983688335 /nfs/dbraw/zinc/68/83/35/983688335.db2.gz GIOMVCUCHCFATB-UHFFFAOYSA-N 2 2 415.409 3.939 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000440824799 983923562 /nfs/dbraw/zinc/92/35/62/983923562.db2.gz QAYALGQNOIDASN-QHCPKHFHSA-N 2 2 405.546 3.672 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000440824799 983923566 /nfs/dbraw/zinc/92/35/66/983923566.db2.gz QAYALGQNOIDASN-QHCPKHFHSA-N 2 2 405.546 3.672 20 0 HHADLP CSc1ccccc1[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000441035689 984035193 /nfs/dbraw/zinc/03/51/93/984035193.db2.gz NLGHIVUCNMCOAI-SFHVURJKSA-N 2 2 404.624 3.719 20 0 HHADLP COC(=O)c1sc2ccccc2c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441062944 984050611 /nfs/dbraw/zinc/05/06/11/984050611.db2.gz LUDNSLUDOHYPEW-UHFFFAOYSA-N 2 2 415.603 3.678 20 0 HHADLP CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000441063950 984051454 /nfs/dbraw/zinc/05/14/54/984051454.db2.gz HWLADVZOONXNSL-FQEVSTJZSA-N 2 2 421.585 3.613 20 0 HHADLP CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000441063950 984051461 /nfs/dbraw/zinc/05/14/61/984051461.db2.gz HWLADVZOONXNSL-FQEVSTJZSA-N 2 2 421.585 3.613 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341205 984196394 /nfs/dbraw/zinc/19/63/94/984196394.db2.gz SQKQJBQXHNABBU-QFBILLFUSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341205 984196397 /nfs/dbraw/zinc/19/63/97/984196397.db2.gz SQKQJBQXHNABBU-QFBILLFUSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441341205 984196402 /nfs/dbraw/zinc/19/64/02/984196402.db2.gz SQKQJBQXHNABBU-QFBILLFUSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441341205 984196405 /nfs/dbraw/zinc/19/64/05/984196405.db2.gz SQKQJBQXHNABBU-QFBILLFUSA-N 2 2 410.400 3.602 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000441370155 984213312 /nfs/dbraw/zinc/21/33/12/984213312.db2.gz GQWCQNDFNHLPFJ-RXVVDRJESA-N 2 2 420.513 3.629 20 0 HHADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441383531 984222314 /nfs/dbraw/zinc/22/23/14/984222314.db2.gz MHPZYWUTVMVXJQ-WZONZLPQSA-N 2 2 419.529 3.816 20 0 HHADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392148 984227057 /nfs/dbraw/zinc/22/70/57/984227057.db2.gz IHMZBMJCBQAGSZ-QITSPOGCSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392148 984227061 /nfs/dbraw/zinc/22/70/61/984227061.db2.gz IHMZBMJCBQAGSZ-QITSPOGCSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392148 984227065 /nfs/dbraw/zinc/22/70/65/984227065.db2.gz IHMZBMJCBQAGSZ-QITSPOGCSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392148 984227072 /nfs/dbraw/zinc/22/70/72/984227072.db2.gz IHMZBMJCBQAGSZ-QITSPOGCSA-N 3 2 414.682 3.662 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000442233927 984754471 /nfs/dbraw/zinc/75/44/71/984754471.db2.gz DQXSIFOSCVQAFY-DHIUTWEWSA-N 2 2 405.546 3.843 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000442237062 984758372 /nfs/dbraw/zinc/75/83/72/984758372.db2.gz NNCDFXBFRAHWDT-QDSKXPNFSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000442237062 984758374 /nfs/dbraw/zinc/75/83/74/984758374.db2.gz NNCDFXBFRAHWDT-QDSKXPNFSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(C)c1 ZINC000442248179 984770004 /nfs/dbraw/zinc/77/00/04/984770004.db2.gz XYZLTLAPXHROIE-GMAHTHKFSA-N 2 2 409.578 3.901 20 0 HHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719548 985183703 /nfs/dbraw/zinc/18/37/03/985183703.db2.gz QGRNNDFCAAXFTC-QFIPXVFZSA-N 2 2 402.586 3.823 20 0 HHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719547 985183916 /nfs/dbraw/zinc/18/39/16/985183916.db2.gz QGRNNDFCAAXFTC-JOCHJYFZSA-N 2 2 402.586 3.823 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000442886574 985260368 /nfs/dbraw/zinc/26/03/68/985260368.db2.gz QGRHDGBPSZHVRS-LJQANCHMSA-N 2 2 421.541 3.827 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000442886574 985260386 /nfs/dbraw/zinc/26/03/86/985260386.db2.gz QGRHDGBPSZHVRS-LJQANCHMSA-N 2 2 421.541 3.827 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000462517691 985468076 /nfs/dbraw/zinc/46/80/76/985468076.db2.gz RLCSUSPEFCZJOM-IEBWSBKVSA-N 2 2 402.564 3.566 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000462520623 985470129 /nfs/dbraw/zinc/47/01/29/985470129.db2.gz JXFYVPKXVWOUJK-VAMGGRTRSA-N 2 2 406.640 3.894 20 0 HHADLP CC1(C)C[NH+](CC2(C[N@@H+]3CC4(CCCC4)OC(C)(C)C3)COC2)CC2(CCCC2)O1 ZINC000443330727 985498902 /nfs/dbraw/zinc/49/89/02/985498902.db2.gz DNHMDMZPATWBBB-UHFFFAOYSA-N 2 2 420.638 3.850 20 0 HHADLP CC1(C)C[NH+](CC2(C[N@H+]3CC4(CCCC4)OC(C)(C)C3)COC2)CC2(CCCC2)O1 ZINC000443330727 985498908 /nfs/dbraw/zinc/49/89/08/985498908.db2.gz DNHMDMZPATWBBB-UHFFFAOYSA-N 2 2 420.638 3.850 20 0 HHADLP CCN(Cc1c[nH]c2ccccc12)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000443627592 985806103 /nfs/dbraw/zinc/80/61/03/985806103.db2.gz MENYNFXDUWQKBU-UHFFFAOYSA-N 2 2 411.594 3.650 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000462914604 985846891 /nfs/dbraw/zinc/84/68/91/985846891.db2.gz RTJYICDSPITEPH-UHFFFAOYSA-N 2 2 416.459 3.883 20 0 HHADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000463073742 986030652 /nfs/dbraw/zinc/03/06/52/986030652.db2.gz XAKBIGFIOIURFV-DEOSSOPVSA-N 2 2 423.601 3.901 20 0 HHADLP Cc1coc(-c2cccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)n1 ZINC000468337333 986032862 /nfs/dbraw/zinc/03/28/62/986032862.db2.gz QZDIDZAOXLRULO-UHFFFAOYSA-N 2 2 411.550 3.722 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000463104614 986065413 /nfs/dbraw/zinc/06/54/13/986065413.db2.gz ZKXPMXMCWMWRIT-GOSISDBHSA-N 2 2 415.628 3.816 20 0 HHADLP O=C([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCCC1 ZINC000463112451 986075541 /nfs/dbraw/zinc/07/55/41/986075541.db2.gz UUQDABCGDMKSJX-RUZDIDTESA-N 2 2 423.576 3.656 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000468450775 986145862 /nfs/dbraw/zinc/14/58/62/986145862.db2.gz PYGJGYDDALSNED-FGZHOGPDSA-N 2 2 420.601 3.816 20 0 HHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1Br ZINC000463252868 986220856 /nfs/dbraw/zinc/22/08/56/986220856.db2.gz XAWPHYWVBZFTPZ-CQSZACIVSA-N 2 2 423.317 3.607 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444045873 986243592 /nfs/dbraw/zinc/24/35/92/986243592.db2.gz MBEQJNFXMAOGKG-DENIHFKCSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444045873 986243602 /nfs/dbraw/zinc/24/36/02/986243602.db2.gz MBEQJNFXMAOGKG-DENIHFKCSA-N 2 2 409.578 3.884 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000463283716 986250432 /nfs/dbraw/zinc/25/04/32/986250432.db2.gz PCGNYOIHOOWALW-INIZCTEOSA-N 2 2 411.384 3.777 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000468551600 986258001 /nfs/dbraw/zinc/25/80/01/986258001.db2.gz DXQFASCEIWUYMQ-CQSZACIVSA-N 2 2 401.364 3.998 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191227 986368829 /nfs/dbraw/zinc/36/88/29/986368829.db2.gz OYKAKIQKBVYQCX-DENIHFKCSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191227 986368838 /nfs/dbraw/zinc/36/88/38/986368838.db2.gz OYKAKIQKBVYQCX-DENIHFKCSA-N 2 2 409.578 3.741 20 0 HHADLP O=C1[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221408 986407179 /nfs/dbraw/zinc/40/71/79/986407179.db2.gz DMKIZGKIIWXTOG-XLIONFOSSA-N 2 2 407.505 3.734 20 0 HHADLP O=C1[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221408 986407187 /nfs/dbraw/zinc/40/71/87/986407187.db2.gz DMKIZGKIIWXTOG-XLIONFOSSA-N 2 2 407.505 3.734 20 0 HHADLP O=C1[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221409 986407556 /nfs/dbraw/zinc/40/75/56/986407556.db2.gz DMKIZGKIIWXTOG-YLJYHZDGSA-N 2 2 407.505 3.734 20 0 HHADLP O=C1[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221409 986407557 /nfs/dbraw/zinc/40/75/57/986407557.db2.gz DMKIZGKIIWXTOG-YLJYHZDGSA-N 2 2 407.505 3.734 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000444339216 986517408 /nfs/dbraw/zinc/51/74/08/986517408.db2.gz PDQZHWKKWTUQLO-GOSISDBHSA-N 2 2 418.545 3.601 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4c(Cl)cccc4Cl)CC3)CC2)CC1 ZINC000468825821 986535393 /nfs/dbraw/zinc/53/53/93/986535393.db2.gz DUWSVSAZTLPKIL-UHFFFAOYSA-N 2 2 410.389 3.700 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cnn1C(C)(C)C ZINC000468934781 986640377 /nfs/dbraw/zinc/64/03/77/986640377.db2.gz KVQSURBQCUAYFY-GOSISDBHSA-N 2 2 400.567 3.508 20 0 HHADLP C[C@H]1C[NH+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](C)O1 ZINC000463687575 986670937 /nfs/dbraw/zinc/67/09/37/986670937.db2.gz SKRIRRUEQAYVLI-ROUUACIJSA-N 2 2 411.550 3.507 20 0 HHADLP C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](C)O1 ZINC000463687574 986671351 /nfs/dbraw/zinc/67/13/51/986671351.db2.gz SKRIRRUEQAYVLI-QZTJIDSGSA-N 2 2 411.550 3.507 20 0 HHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000463689480 986672160 /nfs/dbraw/zinc/67/21/60/986672160.db2.gz OHJKTVWIADXFHW-SFHVURJKSA-N 2 2 423.561 3.509 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000468991803 986697999 /nfs/dbraw/zinc/69/79/99/986697999.db2.gz LJDBUTXXUMLHHW-OPAMFIHVSA-N 2 2 410.468 3.992 20 0 HHADLP CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000469003089 986708785 /nfs/dbraw/zinc/70/87/85/986708785.db2.gz PCOWDNZFCCSSCN-DEOSSOPVSA-N 2 2 409.574 3.801 20 0 HHADLP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000469003089 986708794 /nfs/dbraw/zinc/70/87/94/986708794.db2.gz PCOWDNZFCCSSCN-DEOSSOPVSA-N 2 2 409.574 3.801 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000469054821 986766077 /nfs/dbraw/zinc/76/60/77/986766077.db2.gz NPZRTWZXPPPCOC-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000469054821 986766088 /nfs/dbraw/zinc/76/60/88/986766088.db2.gz NPZRTWZXPPPCOC-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188822 986913488 /nfs/dbraw/zinc/91/34/88/986913488.db2.gz HMASWYUKPIPMGA-IIBYNOLFSA-N 2 2 410.953 3.624 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188822 986913498 /nfs/dbraw/zinc/91/34/98/986913498.db2.gz HMASWYUKPIPMGA-IIBYNOLFSA-N 2 2 410.953 3.624 20 0 HHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)CC2)cc1 ZINC000444818848 986972789 /nfs/dbraw/zinc/97/27/89/986972789.db2.gz XTYWYZZRPGIRRV-QHCPKHFHSA-N 2 2 408.590 3.779 20 0 HHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)CC2)cc1 ZINC000444818848 986972793 /nfs/dbraw/zinc/97/27/93/986972793.db2.gz XTYWYZZRPGIRRV-QHCPKHFHSA-N 2 2 408.590 3.779 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cc3OC(C)(C)C)CC2)CC1 ZINC000444882098 987033352 /nfs/dbraw/zinc/03/33/52/987033352.db2.gz ZKGGXWKIASCJKJ-UHFFFAOYSA-N 2 2 406.546 3.683 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000444966579 987098255 /nfs/dbraw/zinc/09/82/55/987098255.db2.gz LFIWJDIRBCABNQ-FPOVZHCZSA-N 2 2 409.578 3.973 20 0 HHADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000469741850 987392294 /nfs/dbraw/zinc/39/22/94/987392294.db2.gz OVAPEDIIRXJOLH-CZUORRHYSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000469741850 987392299 /nfs/dbraw/zinc/39/22/99/987392299.db2.gz OVAPEDIIRXJOLH-CZUORRHYSA-N 2 2 402.296 3.779 20 0 HHADLP CC[C@H](Cc1ccccc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469765370 987417819 /nfs/dbraw/zinc/41/78/19/987417819.db2.gz TXTYLANQKUDNOY-JOCHJYFZSA-N 2 2 400.611 3.598 20 0 HHADLP Cc1ccc(S(=O)(=O)CCC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469768638 987420809 /nfs/dbraw/zinc/42/08/09/987420809.db2.gz LEXOGYLBXJZGGM-SFTDATJTSA-N 2 2 414.615 3.905 20 0 HHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000470534268 988538187 /nfs/dbraw/zinc/53/81/87/988538187.db2.gz OLUZVBGHUIVUAL-UHFFFAOYSA-N 2 2 419.529 3.584 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000470541345 988548428 /nfs/dbraw/zinc/54/84/28/988548428.db2.gz HEDACYANHCBKJV-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000470541345 988548432 /nfs/dbraw/zinc/54/84/32/988548432.db2.gz HEDACYANHCBKJV-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP CCC1(CC)Oc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2O1 ZINC000470549228 988559150 /nfs/dbraw/zinc/55/91/50/988559150.db2.gz WWSCGXBCSAMUCV-UHFFFAOYSA-N 2 2 416.566 3.654 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600123 988616634 /nfs/dbraw/zinc/61/66/34/988616634.db2.gz LJLZSHXOFMMFOW-UXHICEINSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600123 988616656 /nfs/dbraw/zinc/61/66/56/988616656.db2.gz LJLZSHXOFMMFOW-UXHICEINSA-N 2 2 405.464 3.699 20 0 HHADLP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000470771972 988818033 /nfs/dbraw/zinc/81/80/33/988818033.db2.gz IJFGBUIJIPEFMX-AREMUKBSSA-N 2 2 403.570 3.777 20 0 HHADLP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000470771972 988818040 /nfs/dbraw/zinc/81/80/40/988818040.db2.gz IJFGBUIJIPEFMX-AREMUKBSSA-N 2 2 403.570 3.777 20 0 HHADLP CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804252 989032868 /nfs/dbraw/zinc/03/28/68/989032868.db2.gz DNUIYCWSMSZLBW-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804252 989032874 /nfs/dbraw/zinc/03/28/74/989032874.db2.gz DNUIYCWSMSZLBW-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804387 989033707 /nfs/dbraw/zinc/03/37/07/989033707.db2.gz FCWBEMWOVBQLGA-UHFFFAOYSA-N 2 2 416.591 3.771 20 0 HHADLP CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804387 989033715 /nfs/dbraw/zinc/03/37/15/989033715.db2.gz FCWBEMWOVBQLGA-UHFFFAOYSA-N 2 2 416.591 3.771 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805134 989034871 /nfs/dbraw/zinc/03/48/71/989034871.db2.gz LEIHGEPAVAWBAA-UHFFFAOYSA-N 2 2 410.566 3.570 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805134 989034885 /nfs/dbraw/zinc/03/48/85/989034885.db2.gz LEIHGEPAVAWBAA-UHFFFAOYSA-N 2 2 410.566 3.570 20 0 HHADLP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807049 989038982 /nfs/dbraw/zinc/03/89/82/989038982.db2.gz RYTYTWTWGAHGMD-IBGZPJMESA-N 2 2 412.553 3.979 20 0 HHADLP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807049 989038995 /nfs/dbraw/zinc/03/89/95/989038995.db2.gz RYTYTWTWGAHGMD-IBGZPJMESA-N 2 2 412.553 3.979 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098198 989194605 /nfs/dbraw/zinc/19/46/05/989194605.db2.gz BTGQXNLOLNZKOQ-XZOQPEGZSA-N 2 2 415.626 3.798 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098198 989194610 /nfs/dbraw/zinc/19/46/10/989194610.db2.gz BTGQXNLOLNZKOQ-XZOQPEGZSA-N 2 2 415.626 3.798 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000465245364 989595799 /nfs/dbraw/zinc/59/57/99/989595799.db2.gz XDQNDYLQXWIGOS-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000465245364 989595809 /nfs/dbraw/zinc/59/58/09/989595809.db2.gz XDQNDYLQXWIGOS-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465537905 989900584 /nfs/dbraw/zinc/90/05/84/989900584.db2.gz DHQXPRDBAXQZDP-VQIMIIECSA-N 2 2 410.965 3.742 20 0 HHADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465537899 989901085 /nfs/dbraw/zinc/90/10/85/989901085.db2.gz DHQXPRDBAXQZDP-APWZRJJASA-N 2 2 410.965 3.742 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccs1 ZINC000465570905 989939080 /nfs/dbraw/zinc/93/90/80/989939080.db2.gz LSTDFEVIGGPRKZ-NQIIRXRSSA-N 2 2 413.591 3.626 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccs1 ZINC000465570905 989939086 /nfs/dbraw/zinc/93/90/86/989939086.db2.gz LSTDFEVIGGPRKZ-NQIIRXRSSA-N 2 2 413.591 3.626 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465573182 989942269 /nfs/dbraw/zinc/94/22/69/989942269.db2.gz NWKDBXKZHDDZCN-QHCPKHFHSA-N 2 2 421.589 3.735 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465573182 989942276 /nfs/dbraw/zinc/94/22/76/989942276.db2.gz NWKDBXKZHDDZCN-QHCPKHFHSA-N 2 2 421.589 3.735 20 0 HHADLP COc1ccc([C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000465589107 989965863 /nfs/dbraw/zinc/96/58/63/989965863.db2.gz BWADRGICDHPVKO-QFIPXVFZSA-N 2 2 416.610 3.642 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000465595771 989976101 /nfs/dbraw/zinc/97/61/01/989976101.db2.gz JBIYFYSVOZPIOP-UHFFFAOYSA-N 2 2 423.605 3.852 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000465595771 989976108 /nfs/dbraw/zinc/97/61/08/989976108.db2.gz JBIYFYSVOZPIOP-UHFFFAOYSA-N 2 2 423.605 3.852 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1cccs1 ZINC000465762263 990148030 /nfs/dbraw/zinc/14/80/30/990148030.db2.gz YKQRAXVTXCLKGZ-NQIIRXRSSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1cccs1 ZINC000465762263 990148034 /nfs/dbraw/zinc/14/80/34/990148034.db2.gz YKQRAXVTXCLKGZ-NQIIRXRSSA-N 2 2 409.559 3.816 20 0 HHADLP Cc1cccc(C(C)(C)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000465794619 990176907 /nfs/dbraw/zinc/17/69/07/990176907.db2.gz UVAKPOHEAZQHIV-UHFFFAOYSA-N 2 2 400.611 3.522 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000465870048 990983545 /nfs/dbraw/zinc/98/35/45/990983545.db2.gz GALVRVLGBNOEAM-FQEVSTJZSA-N 2 2 424.992 3.865 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000465870048 990983553 /nfs/dbraw/zinc/98/35/53/990983553.db2.gz GALVRVLGBNOEAM-FQEVSTJZSA-N 2 2 424.992 3.865 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465877773 990993763 /nfs/dbraw/zinc/99/37/63/990993763.db2.gz WMYGEZCQCOWMGO-GOSISDBHSA-N 2 2 423.388 3.614 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882856 991003052 /nfs/dbraw/zinc/00/30/52/991003052.db2.gz XTDRRSQEIQORAU-OALUTQOASA-N 2 2 410.965 3.569 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882856 991003059 /nfs/dbraw/zinc/00/30/59/991003059.db2.gz XTDRRSQEIQORAU-OALUTQOASA-N 2 2 410.965 3.569 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956199 991096774 /nfs/dbraw/zinc/09/67/74/991096774.db2.gz ONNYJPNLTLCBSH-XZOQPEGZSA-N 2 2 412.622 3.647 20 0 HHADLP CC(C)c1ccc(CCCNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466007668 991173498 /nfs/dbraw/zinc/17/34/98/991173498.db2.gz NYJKVSVFCSFTQA-UHFFFAOYSA-N 2 2 414.638 3.992 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000466076899 991251268 /nfs/dbraw/zinc/25/12/68/991251268.db2.gz KSFUGORKQYHDKF-YLJYHZDGSA-N 2 2 416.591 3.993 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000466076899 991251275 /nfs/dbraw/zinc/25/12/75/991251275.db2.gz KSFUGORKQYHDKF-YLJYHZDGSA-N 2 2 416.591 3.993 20 0 HHADLP CN(Cc1ccc2ccccc2c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466145144 991328113 /nfs/dbraw/zinc/32/81/13/991328113.db2.gz SIHLQDAWWIRZAF-UHFFFAOYSA-N 2 2 408.590 3.932 20 0 HHADLP Cc1nc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2s1 ZINC000466161458 991349777 /nfs/dbraw/zinc/34/97/77/991349777.db2.gz YJNBRAICMCWOSE-UHFFFAOYSA-N 2 2 401.580 3.677 20 0 HHADLP O=C1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CN1Cc1ccccc1C(F)(F)F ZINC000466457075 991747773 /nfs/dbraw/zinc/74/77/73/991747773.db2.gz IQHNPWRXMWAEFW-GOSISDBHSA-N 2 2 414.431 3.782 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466881287 992202543 /nfs/dbraw/zinc/20/25/43/992202543.db2.gz QHENKBLWYRZCTJ-OALUTQOASA-N 2 2 403.571 3.661 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466881287 992202554 /nfs/dbraw/zinc/20/25/54/992202554.db2.gz QHENKBLWYRZCTJ-OALUTQOASA-N 2 2 403.571 3.661 20 0 HHADLP COc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000467145059 992460968 /nfs/dbraw/zinc/46/09/68/992460968.db2.gz VPJJSILDMHKOQX-AWEZNQCLSA-N 2 2 411.531 3.748 20 0 HHADLP CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000467185382 992507179 /nfs/dbraw/zinc/50/71/79/992507179.db2.gz FARQVZHRPKEXGU-DEOSSOPVSA-N 2 2 409.574 3.512 20 0 HHADLP Cc1cccc(C2([NH2+]CC(=O)NCc3ccccc3C[NH+]3CCOCC3)CCCC2)c1 ZINC000467193445 992517077 /nfs/dbraw/zinc/51/70/77/992517077.db2.gz ZIYYZBAIEICCHO-UHFFFAOYSA-N 2 2 421.585 3.503 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202871 992528308 /nfs/dbraw/zinc/52/83/08/992528308.db2.gz SJTVNEBCUSTXNI-DHIUTWEWSA-N 2 2 412.622 3.798 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202871 992528315 /nfs/dbraw/zinc/52/83/15/992528315.db2.gz SJTVNEBCUSTXNI-DHIUTWEWSA-N 2 2 412.622 3.798 20 0 HHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274099 992596188 /nfs/dbraw/zinc/59/61/88/992596188.db2.gz VEOFUHSPIMAFJP-QGZVFWFLSA-N 2 2 413.400 3.905 20 0 HHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274099 992596194 /nfs/dbraw/zinc/59/61/94/992596194.db2.gz VEOFUHSPIMAFJP-QGZVFWFLSA-N 2 2 413.400 3.905 20 0 HHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274099 992596203 /nfs/dbraw/zinc/59/62/03/992596203.db2.gz VEOFUHSPIMAFJP-QGZVFWFLSA-N 2 2 413.400 3.905 20 0 HHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274099 992596211 /nfs/dbraw/zinc/59/62/11/992596211.db2.gz VEOFUHSPIMAFJP-QGZVFWFLSA-N 2 2 413.400 3.905 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483592 992772899 /nfs/dbraw/zinc/77/28/99/992772899.db2.gz PJAVOJVRUXJQTJ-REHUZNOOSA-N 2 2 422.573 3.864 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483592 992772907 /nfs/dbraw/zinc/77/29/07/992772907.db2.gz PJAVOJVRUXJQTJ-REHUZNOOSA-N 2 2 422.573 3.864 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc([C@@H](C)[NH+]3CCOCC3)c1)CC2 ZINC000467710607 992963806 /nfs/dbraw/zinc/96/38/06/992963806.db2.gz KTDBBEOZJNTHTJ-QIJUGHKUSA-N 2 2 400.567 3.559 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc([C@@H](C)[NH+]3CCOCC3)c1)CC2 ZINC000467710607 992963812 /nfs/dbraw/zinc/96/38/12/992963812.db2.gz KTDBBEOZJNTHTJ-QIJUGHKUSA-N 2 2 400.567 3.559 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462779 993465019 /nfs/dbraw/zinc/46/50/19/993465019.db2.gz IIYIRACGVHCEIW-KNQAVFIVSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462779 993465022 /nfs/dbraw/zinc/46/50/22/993465022.db2.gz IIYIRACGVHCEIW-KNQAVFIVSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462779 993465028 /nfs/dbraw/zinc/46/50/28/993465028.db2.gz IIYIRACGVHCEIW-KNQAVFIVSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462779 993465031 /nfs/dbraw/zinc/46/50/31/993465031.db2.gz IIYIRACGVHCEIW-KNQAVFIVSA-N 2 2 423.601 3.859 20 0 HHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472765614 993705762 /nfs/dbraw/zinc/70/57/62/993705762.db2.gz FEVBQALAOMQKKE-YLJYHZDGSA-N 2 2 407.327 3.561 20 0 HHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472765614 993705771 /nfs/dbraw/zinc/70/57/71/993705771.db2.gz FEVBQALAOMQKKE-YLJYHZDGSA-N 2 2 407.327 3.561 20 0 HHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1C ZINC000480938470 993786288 /nfs/dbraw/zinc/78/62/88/993786288.db2.gz GWEQVDYZDMLQIP-UHFFFAOYSA-N 2 2 400.592 3.947 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000481169294 994000022 /nfs/dbraw/zinc/00/00/22/994000022.db2.gz NFLMMSXEKPYHQB-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000481169294 994000030 /nfs/dbraw/zinc/00/00/30/994000030.db2.gz NFLMMSXEKPYHQB-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183151 994013181 /nfs/dbraw/zinc/01/31/81/994013181.db2.gz QIKPCDJEDWSRFJ-FUHWJXTLSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183151 994013191 /nfs/dbraw/zinc/01/31/91/994013191.db2.gz QIKPCDJEDWSRFJ-FUHWJXTLSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000481187971 994020535 /nfs/dbraw/zinc/02/05/35/994020535.db2.gz HQDJDMRKWHIENP-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191678 994025577 /nfs/dbraw/zinc/02/55/77/994025577.db2.gz REDMBYJECMQABW-NMMYMHLASA-N 2 2 418.585 3.715 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191678 994025585 /nfs/dbraw/zinc/02/55/85/994025585.db2.gz REDMBYJECMQABW-NMMYMHLASA-N 2 2 418.585 3.715 20 0 HHADLP C[NH+]1CCC(CNC(=O)C[C@@H](c2cccs2)n2cccc2)([NH+]2CCCCC2)CC1 ZINC000473210362 994070041 /nfs/dbraw/zinc/07/00/41/994070041.db2.gz SWCFGURNKKDIJH-FQEVSTJZSA-N 2 2 414.619 3.596 20 0 HHADLP O=C(C[NH2+][C@H](CC1CCC1)c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481250356 994076809 /nfs/dbraw/zinc/07/68/09/994076809.db2.gz CQYHBGNZLQIWHC-XMMPIXPASA-N 2 2 407.558 3.978 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)CC1 ZINC000481260307 994081751 /nfs/dbraw/zinc/08/17/51/994081751.db2.gz SXTPBTPHKISNNN-UHFFFAOYSA-N 2 2 424.614 3.976 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2Br)CC1 ZINC000481412341 994246271 /nfs/dbraw/zinc/24/62/71/994246271.db2.gz ZVWOHEMQIUAGDS-GFCCVEGCSA-N 2 2 420.189 3.973 20 0 HHADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481424107 994259298 /nfs/dbraw/zinc/25/92/98/994259298.db2.gz OBGUWIULMWMZDC-HSZRJFAPSA-N 2 2 408.542 3.934 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000481425152 994260158 /nfs/dbraw/zinc/26/01/58/994260158.db2.gz QCODPWUMCPXSHX-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP CC(C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1F ZINC000473442085 994291541 /nfs/dbraw/zinc/29/15/41/994291541.db2.gz YTALQHKTYJUPOT-UHFFFAOYSA-N 2 2 419.928 3.775 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000481553828 994386862 /nfs/dbraw/zinc/38/68/62/994386862.db2.gz VOQAHQIYWSGOAZ-URXFXBBRSA-N 2 2 423.601 3.947 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000481553828 994386866 /nfs/dbraw/zinc/38/68/66/994386866.db2.gz VOQAHQIYWSGOAZ-URXFXBBRSA-N 2 2 423.601 3.947 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000473542110 994401892 /nfs/dbraw/zinc/40/18/92/994401892.db2.gz AHJPLHJNLFITES-QFIPXVFZSA-N 2 2 401.620 3.690 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718498 994579254 /nfs/dbraw/zinc/57/92/54/994579254.db2.gz PZDDKWCLEZIIGB-RLWLMLJZSA-N 3 2 422.617 3.802 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718498 994579270 /nfs/dbraw/zinc/57/92/70/994579270.db2.gz PZDDKWCLEZIIGB-RLWLMLJZSA-N 3 2 422.617 3.802 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000481932947 994804870 /nfs/dbraw/zinc/80/48/70/994804870.db2.gz FAHRPOMLKSWTHI-YYWHXJBOSA-N 2 2 414.981 3.823 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000481932947 994804881 /nfs/dbraw/zinc/80/48/81/994804881.db2.gz FAHRPOMLKSWTHI-YYWHXJBOSA-N 2 2 414.981 3.823 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000482000381 994901385 /nfs/dbraw/zinc/90/13/85/994901385.db2.gz KILAUKJFMUYPAU-UHFFFAOYSA-N 2 2 422.738 3.916 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482038699 994958372 /nfs/dbraw/zinc/95/83/72/994958372.db2.gz ZKZIQKOHUHTRCJ-DNVCBOLYSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482038699 994958384 /nfs/dbraw/zinc/95/83/84/994958384.db2.gz ZKZIQKOHUHTRCJ-DNVCBOLYSA-N 2 2 418.582 3.851 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000482139811 995089797 /nfs/dbraw/zinc/08/97/97/995089797.db2.gz GTJPEWUIRUFDQK-NUJGCVRESA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000482139811 995089808 /nfs/dbraw/zinc/08/98/08/995089808.db2.gz GTJPEWUIRUFDQK-NUJGCVRESA-N 2 2 415.500 3.759 20 0 HHADLP CC(C)(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000474161597 995145572 /nfs/dbraw/zinc/14/55/72/995145572.db2.gz WLAJQLWTGHRKMY-UHFFFAOYSA-N 2 2 413.537 3.897 20 0 HHADLP CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000474161597 995145577 /nfs/dbraw/zinc/14/55/77/995145577.db2.gz WLAJQLWTGHRKMY-UHFFFAOYSA-N 2 2 413.537 3.897 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000482201516 995182272 /nfs/dbraw/zinc/18/22/72/995182272.db2.gz AJSBYWVFYYXZAE-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000474204058 995199121 /nfs/dbraw/zinc/19/91/21/995199121.db2.gz BWDGWFRWHDOHHJ-GCJKJVERSA-N 2 2 410.562 3.600 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)c1 ZINC000474209325 995204674 /nfs/dbraw/zinc/20/46/74/995204674.db2.gz IRUGKVPCTMDUDC-GCJKJVERSA-N 2 2 410.562 3.600 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474244511 995241640 /nfs/dbraw/zinc/24/16/40/995241640.db2.gz HYGNWOBXXWLHPH-OALUTQOASA-N 2 2 405.546 3.812 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474244512 995241868 /nfs/dbraw/zinc/24/18/68/995241868.db2.gz HYGNWOBXXWLHPH-RTBURBONSA-N 2 2 405.546 3.812 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000482290170 995269836 /nfs/dbraw/zinc/26/98/36/995269836.db2.gz BJNSLESIAJANJG-SFHVURJKSA-N 2 2 418.548 3.747 20 0 HHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474308123 995295771 /nfs/dbraw/zinc/29/57/71/995295771.db2.gz FOMFOWBEQSXJGS-JOCHJYFZSA-N 2 2 413.562 3.978 20 0 HHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474308123 995295777 /nfs/dbraw/zinc/29/57/77/995295777.db2.gz FOMFOWBEQSXJGS-JOCHJYFZSA-N 2 2 413.562 3.978 20 0 HHADLP CCc1ccc([C@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)[NH+](C)C)cc1 ZINC000474399204 995370048 /nfs/dbraw/zinc/37/00/48/995370048.db2.gz YCUJYOMKLNMPSI-NRFANRHFSA-N 2 2 400.473 3.604 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438178 995432052 /nfs/dbraw/zinc/43/20/52/995432052.db2.gz LWQDJKGEGUDQPE-NQIIRXRSSA-N 2 2 407.537 3.930 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438178 995432060 /nfs/dbraw/zinc/43/20/60/995432060.db2.gz LWQDJKGEGUDQPE-NQIIRXRSSA-N 2 2 407.537 3.930 20 0 HHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474612164 995565215 /nfs/dbraw/zinc/56/52/15/995565215.db2.gz NUVMBPGUFDFFIS-ROUUACIJSA-N 2 2 400.954 3.556 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000474780430 995706025 /nfs/dbraw/zinc/70/60/25/995706025.db2.gz LURLGHKKUMXAQP-CVDCTZTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc3ccccc3C1)C2 ZINC000474780430 995706034 /nfs/dbraw/zinc/70/60/34/995706034.db2.gz LURLGHKKUMXAQP-CVDCTZTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000474780430 995706041 /nfs/dbraw/zinc/70/60/41/995706041.db2.gz LURLGHKKUMXAQP-CVDCTZTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc3ccccc3C1)CC2 ZINC000474780430 995706048 /nfs/dbraw/zinc/70/60/48/995706048.db2.gz LURLGHKKUMXAQP-CVDCTZTESA-N 2 2 408.590 3.837 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474903699 995790841 /nfs/dbraw/zinc/79/08/41/995790841.db2.gz AQEWNTWHPCQXKD-GOSISDBHSA-N 2 2 412.578 3.675 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474903699 995790847 /nfs/dbraw/zinc/79/08/47/995790847.db2.gz AQEWNTWHPCQXKD-GOSISDBHSA-N 2 2 412.578 3.675 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860837 995798291 /nfs/dbraw/zinc/79/82/91/995798291.db2.gz BFTFZSTUZGUMMU-NBGIEHNGSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860837 995798298 /nfs/dbraw/zinc/79/82/98/995798298.db2.gz BFTFZSTUZGUMMU-NBGIEHNGSA-N 2 2 409.574 3.777 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483118793 995986605 /nfs/dbraw/zinc/98/66/05/995986605.db2.gz LARHHFBKTFTEHY-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483118793 995986609 /nfs/dbraw/zinc/98/66/09/995986609.db2.gz LARHHFBKTFTEHY-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483118796 995986871 /nfs/dbraw/zinc/98/68/71/995986871.db2.gz LARHHFBKTFTEHY-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483118796 995986880 /nfs/dbraw/zinc/98/68/80/995986880.db2.gz LARHHFBKTFTEHY-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225279 996008865 /nfs/dbraw/zinc/00/88/65/996008865.db2.gz URJLIOZDYXWHQK-HMXCVIKNSA-N 2 2 418.628 3.932 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225279 996008870 /nfs/dbraw/zinc/00/88/70/996008870.db2.gz URJLIOZDYXWHQK-HMXCVIKNSA-N 2 2 418.628 3.932 20 0 HHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000483220934 996045181 /nfs/dbraw/zinc/04/51/81/996045181.db2.gz YGQFYLPWFPCSNB-UHFFFAOYSA-N 2 2 413.319 3.723 20 0 HHADLP CCOC(=O)COc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475346648 996081899 /nfs/dbraw/zinc/08/18/99/996081899.db2.gz OOSREDYBQGZDHA-UHFFFAOYSA-N 2 2 414.468 3.523 20 0 HHADLP CC[NH+](CC)CC1CCN(c2cc(N3CCC(C[NH+](CC)CC)CC3)[nH+]cn2)CC1 ZINC000475356460 996087409 /nfs/dbraw/zinc/08/74/09/996087409.db2.gz UCYGAPRWILZWIJ-UHFFFAOYSA-N 3 2 416.658 3.593 20 0 HHADLP CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475374347 996098538 /nfs/dbraw/zinc/09/85/38/996098538.db2.gz VEUSWYYKIWMSEW-JOCHJYFZSA-N 2 2 405.546 3.921 20 0 HHADLP CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475374347 996098544 /nfs/dbraw/zinc/09/85/44/996098544.db2.gz VEUSWYYKIWMSEW-JOCHJYFZSA-N 2 2 405.546 3.921 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)C2 ZINC000475389364 996107473 /nfs/dbraw/zinc/10/74/73/996107473.db2.gz LSJNQAHZCYOXOT-SFHVURJKSA-N 2 2 412.603 3.868 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)CC2 ZINC000475389364 996107497 /nfs/dbraw/zinc/10/74/97/996107497.db2.gz LSJNQAHZCYOXOT-SFHVURJKSA-N 2 2 412.603 3.868 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000475445080 996144560 /nfs/dbraw/zinc/14/45/60/996144560.db2.gz ARVWAWLTPWPMPU-KRWDZBQOSA-N 2 2 404.505 3.593 20 0 HHADLP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000483428781 996172980 /nfs/dbraw/zinc/17/29/80/996172980.db2.gz OQWMOBKACWTWEF-XMMPIXPASA-N 2 2 404.514 3.716 20 0 HHADLP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000483428781 996172981 /nfs/dbraw/zinc/17/29/81/996172981.db2.gz OQWMOBKACWTWEF-XMMPIXPASA-N 2 2 404.514 3.716 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475488701 996173262 /nfs/dbraw/zinc/17/32/62/996173262.db2.gz WWKHEENHXFJMER-XZOQPEGZSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475488701 996173266 /nfs/dbraw/zinc/17/32/66/996173266.db2.gz WWKHEENHXFJMER-XZOQPEGZSA-N 2 2 418.601 3.737 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000475589696 996234757 /nfs/dbraw/zinc/23/47/57/996234757.db2.gz UASWSBLVLOBWMX-QGZVFWFLSA-N 2 2 404.505 3.738 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751168 996348038 /nfs/dbraw/zinc/34/80/38/996348038.db2.gz VQJPDTYBQYJUJK-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751168 996348042 /nfs/dbraw/zinc/34/80/42/996348042.db2.gz VQJPDTYBQYJUJK-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475751168 996348048 /nfs/dbraw/zinc/34/80/48/996348048.db2.gz VQJPDTYBQYJUJK-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475751168 996348051 /nfs/dbraw/zinc/34/80/51/996348051.db2.gz VQJPDTYBQYJUJK-RLWLMLJZSA-N 2 2 421.585 3.688 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000483787956 996387999 /nfs/dbraw/zinc/38/79/99/996387999.db2.gz HOVKPMNOXARTQE-QZTJIDSGSA-N 2 2 418.548 3.605 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475819743 996391696 /nfs/dbraw/zinc/39/16/96/996391696.db2.gz SXKQQQFURQUMMI-RPWUZVMVSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475819743 996391703 /nfs/dbraw/zinc/39/17/03/996391703.db2.gz SXKQQQFURQUMMI-RPWUZVMVSA-N 2 2 408.590 3.573 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802372 996397275 /nfs/dbraw/zinc/39/72/75/996397275.db2.gz CSTQXVUMVPQRDE-UXPWSPDFSA-N 2 2 424.992 3.958 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802372 996397281 /nfs/dbraw/zinc/39/72/81/996397281.db2.gz CSTQXVUMVPQRDE-UXPWSPDFSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802372 996397284 /nfs/dbraw/zinc/39/72/84/996397284.db2.gz CSTQXVUMVPQRDE-UXPWSPDFSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802372 996397289 /nfs/dbraw/zinc/39/72/89/996397289.db2.gz CSTQXVUMVPQRDE-UXPWSPDFSA-N 2 2 424.992 3.958 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000483868186 996436745 /nfs/dbraw/zinc/43/67/45/996436745.db2.gz JXFOWYYJAUNUAV-NJYVYQBISA-N 2 2 414.594 3.636 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000475923086 996474438 /nfs/dbraw/zinc/47/44/38/996474438.db2.gz XQIWIVUXRZBUDV-UHFFFAOYSA-N 2 2 400.473 3.780 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000475923086 996474443 /nfs/dbraw/zinc/47/44/43/996474443.db2.gz XQIWIVUXRZBUDV-UHFFFAOYSA-N 2 2 400.473 3.780 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000476053490 996569602 /nfs/dbraw/zinc/56/96/02/996569602.db2.gz VRBQWOOUKSUCDU-AZUAARDMSA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)CC2 ZINC000476053490 996569607 /nfs/dbraw/zinc/56/96/07/996569607.db2.gz VRBQWOOUKSUCDU-AZUAARDMSA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484138548 996592554 /nfs/dbraw/zinc/59/25/54/996592554.db2.gz GZFXYMMBXHOGMY-APTRMMRNSA-N 2 2 424.589 3.750 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484138548 996592558 /nfs/dbraw/zinc/59/25/58/996592558.db2.gz GZFXYMMBXHOGMY-APTRMMRNSA-N 2 2 424.589 3.750 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1SC ZINC000484157229 996605386 /nfs/dbraw/zinc/60/53/86/996605386.db2.gz HDTTZKILKMEEEJ-WMQCIHAUSA-N 2 2 400.588 3.951 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1SC ZINC000484157229 996605389 /nfs/dbraw/zinc/60/53/89/996605389.db2.gz HDTTZKILKMEEEJ-WMQCIHAUSA-N 2 2 400.588 3.951 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000476168897 996650000 /nfs/dbraw/zinc/65/00/00/996650000.db2.gz UCAVTKSGCUKQII-AUSIDOKSSA-N 2 2 405.546 3.730 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000476374853 996812901 /nfs/dbraw/zinc/81/29/01/996812901.db2.gz BJQLWXVOITWBHW-PKTZIBPZSA-N 2 2 421.520 3.812 20 0 HHADLP O=C(C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484612486 996945297 /nfs/dbraw/zinc/94/52/97/996945297.db2.gz FBSBSKSALWXJSV-ZEQRLZLVSA-N 2 2 407.558 3.773 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000476533738 997023116 /nfs/dbraw/zinc/02/31/16/997023116.db2.gz BWCJHCDKZJSZJW-AVRDEDQJSA-N 2 2 410.562 3.600 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000476533738 997023129 /nfs/dbraw/zinc/02/31/29/997023129.db2.gz BWCJHCDKZJSZJW-AVRDEDQJSA-N 2 2 410.562 3.600 20 0 HHADLP CCCCn1ncc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C(C)C ZINC000485159570 997542831 /nfs/dbraw/zinc/54/28/31/997542831.db2.gz JTMFTFZWVFUPQB-UHFFFAOYSA-N 2 2 418.630 3.878 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339529 997757479 /nfs/dbraw/zinc/75/74/79/997757479.db2.gz DIINTBGZVZXWNZ-NZQKXSOJSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339529 997757489 /nfs/dbraw/zinc/75/74/89/997757489.db2.gz DIINTBGZVZXWNZ-NZQKXSOJSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339529 997757497 /nfs/dbraw/zinc/75/74/97/997757497.db2.gz DIINTBGZVZXWNZ-NZQKXSOJSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339529 997757507 /nfs/dbraw/zinc/75/75/07/997757507.db2.gz DIINTBGZVZXWNZ-NZQKXSOJSA-N 2 2 402.542 3.864 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000477293119 997978308 /nfs/dbraw/zinc/97/83/08/997978308.db2.gz JPERWULSJVMBSZ-UHFFFAOYSA-N 2 2 407.537 3.622 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000485944596 998388327 /nfs/dbraw/zinc/38/83/27/998388327.db2.gz MRJVWVISONNPRV-KRWDZBQOSA-N 2 2 420.479 3.587 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000485944596 998388338 /nfs/dbraw/zinc/38/83/38/998388338.db2.gz MRJVWVISONNPRV-KRWDZBQOSA-N 2 2 420.479 3.587 20 0 HHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1c2ccccc2-c2ccccc21 ZINC000477746877 998490011 /nfs/dbraw/zinc/49/00/11/998490011.db2.gz VSBLFYRSNLLXRP-UHFFFAOYSA-N 2 2 412.537 3.822 20 0 HHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1c2ccccc2-c2ccccc21 ZINC000477746877 998490016 /nfs/dbraw/zinc/49/00/16/998490016.db2.gz VSBLFYRSNLLXRP-UHFFFAOYSA-N 2 2 412.537 3.822 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931780 998664987 /nfs/dbraw/zinc/66/49/87/998664987.db2.gz PZQJTSPAIHMQEY-APWZRJJASA-N 2 2 408.468 3.765 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931780 998664994 /nfs/dbraw/zinc/66/49/94/998664994.db2.gz PZQJTSPAIHMQEY-APWZRJJASA-N 2 2 408.468 3.765 20 0 HHADLP Cc1cc(C)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000486350850 998724516 /nfs/dbraw/zinc/72/45/16/998724516.db2.gz NZIHTKARECHZRJ-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP Cc1cc(C)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000486350850 998724520 /nfs/dbraw/zinc/72/45/20/998724520.db2.gz NZIHTKARECHZRJ-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046265 998733086 /nfs/dbraw/zinc/73/30/86/998733086.db2.gz LQVJMBBANUGTEC-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046265 998733094 /nfs/dbraw/zinc/73/30/94/998733094.db2.gz LQVJMBBANUGTEC-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046265 998733096 /nfs/dbraw/zinc/73/30/96/998733096.db2.gz LQVJMBBANUGTEC-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046265 998733098 /nfs/dbraw/zinc/73/30/98/998733098.db2.gz LQVJMBBANUGTEC-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000478185227 998809904 /nfs/dbraw/zinc/80/99/04/998809904.db2.gz WJMHWTRVFGIGAO-GBXCKJPGSA-N 2 2 419.573 3.773 20 0 HHADLP C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000478189859 998813142 /nfs/dbraw/zinc/81/31/42/998813142.db2.gz ISJMVXDTUXUQMI-OAQYLSRUSA-N 2 2 423.601 3.529 20 0 HHADLP C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000478189859 998813145 /nfs/dbraw/zinc/81/31/45/998813145.db2.gz ISJMVXDTUXUQMI-OAQYLSRUSA-N 2 2 423.601 3.529 20 0 HHADLP CCCOc1cccc2c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000478300328 998873260 /nfs/dbraw/zinc/87/32/60/998873260.db2.gz SVIXOSCKWXXSPU-UHFFFAOYSA-N 2 2 424.589 3.842 20 0 HHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCSC1 ZINC000488099446 999376058 /nfs/dbraw/zinc/37/60/58/999376058.db2.gz IZHNIVJTQZEYPT-INIZCTEOSA-N 2 2 416.418 3.511 20 0 HHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCSC1 ZINC000488099446 999376062 /nfs/dbraw/zinc/37/60/62/999376062.db2.gz IZHNIVJTQZEYPT-INIZCTEOSA-N 2 2 416.418 3.511 20 0 HHADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000479340519 999393809 /nfs/dbraw/zinc/39/38/09/999393809.db2.gz XEECNYZXFYWQHK-FQEVSTJZSA-N 2 2 421.511 3.618 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000479436517 999415916 /nfs/dbraw/zinc/41/59/16/999415916.db2.gz JQGYVUYJUTVYTN-CVDCTZTESA-N 2 2 415.603 3.656 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000479436517 999415920 /nfs/dbraw/zinc/41/59/20/999415920.db2.gz JQGYVUYJUTVYTN-CVDCTZTESA-N 2 2 415.603 3.656 20 0 HHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000479505616 999448784 /nfs/dbraw/zinc/44/87/84/999448784.db2.gz SSYLZCNMVFRZNG-YQHFOJDRSA-N 2 2 411.512 3.979 20 0 HHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000479507229 999449762 /nfs/dbraw/zinc/44/97/62/999449762.db2.gz ZNSGQUKCXNBLJK-NLNFPOJYSA-N 2 2 419.513 3.514 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@@H+]2C2CC2)c1 ZINC000488377133 999465113 /nfs/dbraw/zinc/46/51/13/999465113.db2.gz XEWKLMUSBGIBEY-JTHBVZDNSA-N 2 2 423.561 3.560 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000488377133 999465114 /nfs/dbraw/zinc/46/51/14/999465114.db2.gz XEWKLMUSBGIBEY-JTHBVZDNSA-N 2 2 423.561 3.560 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@@H+]2C2CC2)c1 ZINC000488377131 999465153 /nfs/dbraw/zinc/46/51/53/999465153.db2.gz XEWKLMUSBGIBEY-GMAHTHKFSA-N 2 2 423.561 3.560 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000488377131 999465156 /nfs/dbraw/zinc/46/51/56/999465156.db2.gz XEWKLMUSBGIBEY-GMAHTHKFSA-N 2 2 423.561 3.560 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479556547 999476273 /nfs/dbraw/zinc/47/62/73/999476273.db2.gz RDJBPIDONYZJKY-UHFFFAOYSA-N 2 2 403.526 3.879 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787694 999592910 /nfs/dbraw/zinc/59/29/10/999592910.db2.gz WRLJDCAOTDMETB-TYCQWZJGSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787694 999592913 /nfs/dbraw/zinc/59/29/13/999592913.db2.gz WRLJDCAOTDMETB-TYCQWZJGSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787694 999592917 /nfs/dbraw/zinc/59/29/17/999592917.db2.gz WRLJDCAOTDMETB-TYCQWZJGSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787694 999592922 /nfs/dbraw/zinc/59/29/22/999592922.db2.gz WRLJDCAOTDMETB-TYCQWZJGSA-N 2 2 408.537 3.664 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479810312 999606167 /nfs/dbraw/zinc/60/61/67/999606167.db2.gz LFWVCVWUUKBULH-NHCUHLMSSA-N 2 2 408.537 3.665 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479810312 999606170 /nfs/dbraw/zinc/60/61/70/999606170.db2.gz LFWVCVWUUKBULH-NHCUHLMSSA-N 2 2 408.537 3.665 20 0 HHADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000488790229 999608447 /nfs/dbraw/zinc/60/84/47/999608447.db2.gz BWOCGZYHTCBSRP-GCJKJVERSA-N 2 2 415.965 3.523 20 0 HHADLP Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000479853332 999625792 /nfs/dbraw/zinc/62/57/92/999625792.db2.gz SCIXSGPTJNYWBC-UHFFFAOYSA-N 2 2 416.953 3.592 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(C(C)(C)C)c3-c3ccccc3)CC2)CC1 ZINC000488999402 999668241 /nfs/dbraw/zinc/66/82/41/999668241.db2.gz ZPSVRROEDJEXDZ-UHFFFAOYSA-N 2 2 423.605 3.594 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201821 999721250 /nfs/dbraw/zinc/72/12/50/999721250.db2.gz YPSWWHQYZVDLAF-MBOZVWFJSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201821 999721253 /nfs/dbraw/zinc/72/12/53/999721253.db2.gz YPSWWHQYZVDLAF-MBOZVWFJSA-N 2 2 420.479 3.664 20 0 HHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254699 999731202 /nfs/dbraw/zinc/73/12/02/999731202.db2.gz KRSWCEPNKVGPNU-ZEQRLZLVSA-N 4 2 410.650 3.522 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254699 999731205 /nfs/dbraw/zinc/73/12/05/999731205.db2.gz KRSWCEPNKVGPNU-ZEQRLZLVSA-N 4 2 410.650 3.522 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000489333336 999747565 /nfs/dbraw/zinc/74/75/65/999747565.db2.gz RBTMRNREVZZRNI-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000489333336 999747568 /nfs/dbraw/zinc/74/75/68/999747568.db2.gz RBTMRNREVZZRNI-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP CCSc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000489362283 999751807 /nfs/dbraw/zinc/75/18/07/999751807.db2.gz AMSCOLNTOKHNGQ-UHFFFAOYSA-N 2 2 404.624 3.548 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000480244458 999754838 /nfs/dbraw/zinc/75/48/38/999754838.db2.gz HBYJWSCPGIPSND-UHFFFAOYSA-N 2 2 418.585 3.621 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000489394908 999757888 /nfs/dbraw/zinc/75/78/88/999757888.db2.gz RTVRUXVZDOKQES-FQEVSTJZSA-N 2 2 414.500 3.704 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000489394908 999757889 /nfs/dbraw/zinc/75/78/89/999757889.db2.gz RTVRUXVZDOKQES-FQEVSTJZSA-N 2 2 414.500 3.704 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410421 999761229 /nfs/dbraw/zinc/76/12/29/999761229.db2.gz YSMKMRAVTORVOJ-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410421 999761232 /nfs/dbraw/zinc/76/12/32/999761232.db2.gz YSMKMRAVTORVOJ-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCCO2 ZINC000489502872 999779605 /nfs/dbraw/zinc/77/96/05/999779605.db2.gz SQZHJRWXIAHTIF-JOCHJYFZSA-N 2 2 422.573 3.747 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)F ZINC000480604368 999838667 /nfs/dbraw/zinc/83/86/67/999838667.db2.gz AZUSGZIMPQLYLK-MRXNPFEDSA-N 2 2 403.473 3.526 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000480610009 999840241 /nfs/dbraw/zinc/84/02/41/999840241.db2.gz MXYMKUZYBWLFBG-INIZCTEOSA-N 2 2 421.463 3.824 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000480618899 999842650 /nfs/dbraw/zinc/84/26/50/999842650.db2.gz PVUQDPHWEBLAIN-CLOONOSVSA-N 2 2 403.574 3.927 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000480618899 999842652 /nfs/dbraw/zinc/84/26/52/999842652.db2.gz PVUQDPHWEBLAIN-CLOONOSVSA-N 2 2 403.574 3.927 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000490159325 999901843 /nfs/dbraw/zinc/90/18/43/999901843.db2.gz WVKJIYJQCGZWSZ-NRFANRHFSA-N 2 2 401.501 3.587 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000490159325 999901845 /nfs/dbraw/zinc/90/18/45/999901845.db2.gz WVKJIYJQCGZWSZ-NRFANRHFSA-N 2 2 401.501 3.587 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237639 999918013 /nfs/dbraw/zinc/91/80/13/999918013.db2.gz FLWMBSCICNYWMO-VXKWHMMOSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237639 999918015 /nfs/dbraw/zinc/91/80/15/999918015.db2.gz FLWMBSCICNYWMO-VXKWHMMOSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237639 999918016 /nfs/dbraw/zinc/91/80/16/999918016.db2.gz FLWMBSCICNYWMO-VXKWHMMOSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237639 999918020 /nfs/dbraw/zinc/91/80/20/999918020.db2.gz FLWMBSCICNYWMO-VXKWHMMOSA-N 2 2 422.564 3.864 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490248666 999921280 /nfs/dbraw/zinc/92/12/80/999921280.db2.gz SRVVQAQYXCCELW-VQTJNVASSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490248666 999921281 /nfs/dbraw/zinc/92/12/81/999921281.db2.gz SRVVQAQYXCCELW-VQTJNVASSA-N 2 2 422.545 3.545 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490770262 1000003839 /nfs/dbraw/zinc/00/38/39/1000003839.db2.gz ODPIQQSFDIQZRO-TUACAJSNSA-N 2 2 423.626 3.803 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490770262 1000003840 /nfs/dbraw/zinc/00/38/40/1000003840.db2.gz ODPIQQSFDIQZRO-TUACAJSNSA-N 2 2 423.626 3.803 20 0 HHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491902485 1000100051 /nfs/dbraw/zinc/10/00/51/1000100051.db2.gz RUNJQRDYPVOHNQ-UGKGYDQZSA-N 2 2 418.545 3.843 20 0 HHADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491902485 1000100052 /nfs/dbraw/zinc/10/00/52/1000100052.db2.gz RUNJQRDYPVOHNQ-UGKGYDQZSA-N 2 2 418.545 3.843 20 0 HHADLP CCCOc1cccc2c(NCc3cccc(C(=O)NCC[NH+](C)C)c3)cc[nH+]c12 ZINC000492100552 1000109653 /nfs/dbraw/zinc/10/96/53/1000109653.db2.gz NHALYLWGPXQWSI-UHFFFAOYSA-N 2 2 406.530 3.927 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000492144326 1000111370 /nfs/dbraw/zinc/11/13/70/1000111370.db2.gz OOPICNXZNSTVBK-FPOVZHCZSA-N 2 2 418.545 3.749 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@H+]1Cc1ccccc1 ZINC000492144326 1000111371 /nfs/dbraw/zinc/11/13/71/1000111371.db2.gz OOPICNXZNSTVBK-FPOVZHCZSA-N 2 2 418.545 3.749 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccc(F)cc2)c1 ZINC000493252278 1000165650 /nfs/dbraw/zinc/16/56/50/1000165650.db2.gz WMIJUNNKADVMGB-JOCHJYFZSA-N 2 2 413.518 3.805 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493519700 1000177385 /nfs/dbraw/zinc/17/73/85/1000177385.db2.gz DMDZTGDDMJKFIK-KRWDZBQOSA-N 2 2 415.444 3.755 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000493765980 1000190994 /nfs/dbraw/zinc/19/09/94/1000190994.db2.gz WTIIDNVHAQLSNL-FLIBITNWSA-N 2 2 421.585 3.878 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000493888377 1000202409 /nfs/dbraw/zinc/20/24/09/1000202409.db2.gz MFDIXYSHBIQPSL-KITAHSCOSA-N 2 2 415.375 3.704 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000493888377 1000202412 /nfs/dbraw/zinc/20/24/12/1000202412.db2.gz MFDIXYSHBIQPSL-KITAHSCOSA-N 2 2 415.375 3.704 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)c2)cc[nH+]1 ZINC000494049620 1000283681 /nfs/dbraw/zinc/28/36/81/1000283681.db2.gz OBZXTSIDTIDYJH-FDDCHVKYSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)c2)cc[nH+]1 ZINC000494049620 1000283687 /nfs/dbraw/zinc/28/36/87/1000283687.db2.gz OBZXTSIDTIDYJH-FDDCHVKYSA-N 2 2 415.541 3.790 20 0 HHADLP CC(C)(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000504727015 1000343552 /nfs/dbraw/zinc/34/35/52/1000343552.db2.gz YIESTZQMVLXPTL-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP CC(C)(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000504727015 1000343557 /nfs/dbraw/zinc/34/35/57/1000343557.db2.gz YIESTZQMVLXPTL-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293691 1000416982 /nfs/dbraw/zinc/41/69/82/1000416982.db2.gz RNTNOSVDWQFPSL-NELHNXLGSA-N 2 2 421.585 3.559 20 0 HHADLP C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293691 1000416985 /nfs/dbraw/zinc/41/69/85/1000416985.db2.gz RNTNOSVDWQFPSL-NELHNXLGSA-N 2 2 421.585 3.559 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)c1 ZINC000494342272 1000442287 /nfs/dbraw/zinc/44/22/87/1000442287.db2.gz WDGZMRHMFRDXEE-ZIBCJSCZSA-N 2 2 402.546 3.736 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)c1 ZINC000494342272 1000442293 /nfs/dbraw/zinc/44/22/93/1000442293.db2.gz WDGZMRHMFRDXEE-ZIBCJSCZSA-N 2 2 402.546 3.736 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494622067 1000577670 /nfs/dbraw/zinc/57/76/70/1000577670.db2.gz SOANRKCBWKKGPJ-UHFFFAOYSA-N 2 2 424.511 3.929 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505369797 1000728832 /nfs/dbraw/zinc/72/88/32/1000728832.db2.gz DFVQBIGWDLDHOS-GUDVDZBRSA-N 2 2 408.384 3.575 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000494993504 1000768575 /nfs/dbraw/zinc/76/85/75/1000768575.db2.gz BQKDDFXZWVNZRY-JTHBVZDNSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000494993504 1000768580 /nfs/dbraw/zinc/76/85/80/1000768580.db2.gz BQKDDFXZWVNZRY-JTHBVZDNSA-N 2 2 400.526 3.763 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126024 1000864431 /nfs/dbraw/zinc/86/44/31/1000864431.db2.gz FBHYFBPGLGDDKV-NRJQMVOHSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126024 1000864450 /nfs/dbraw/zinc/86/44/50/1000864450.db2.gz FBHYFBPGLGDDKV-NRJQMVOHSA-N 2 2 402.945 3.953 20 0 HHADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000505578293 1000917316 /nfs/dbraw/zinc/91/73/16/1000917316.db2.gz GDJUMYKUWOZYOF-FXAWDEMLSA-N 2 2 420.395 3.530 20 0 HHADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000505578295 1000917609 /nfs/dbraw/zinc/91/76/09/1000917609.db2.gz GDJUMYKUWOZYOF-XLIONFOSSA-N 2 2 420.395 3.530 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)cc[nH+]1 ZINC000505590709 1000924154 /nfs/dbraw/zinc/92/41/54/1000924154.db2.gz JIZCGLCYHDEIQK-GAJHUEQPSA-N 2 2 403.530 3.818 20 0 HHADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000506053256 1001194141 /nfs/dbraw/zinc/19/41/41/1001194141.db2.gz GBGIDMDKYZOMHY-HSZRJFAPSA-N 2 2 418.541 3.725 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000496688997 1001214746 /nfs/dbraw/zinc/21/47/46/1001214746.db2.gz PFGKNQABTYMKTQ-UHFFFAOYSA-N 2 2 402.608 3.846 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000496688997 1001214751 /nfs/dbraw/zinc/21/47/51/1001214751.db2.gz PFGKNQABTYMKTQ-UHFFFAOYSA-N 2 2 402.608 3.846 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3cc4ccccc4o3)c3cccnc3)ccn2)CC1 ZINC000497518440 1001416181 /nfs/dbraw/zinc/41/61/81/1001416181.db2.gz DYSLNOKZPUQTJX-VWLOTQADSA-N 2 2 413.525 3.854 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2ccccc2SC)CC1 ZINC000506768224 1001520518 /nfs/dbraw/zinc/52/05/18/1001520518.db2.gz VOWZIQOINDHRQC-UHFFFAOYSA-N 2 2 412.603 3.621 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2ccccc2SC)CC1 ZINC000506768224 1001520521 /nfs/dbraw/zinc/52/05/21/1001520521.db2.gz VOWZIQOINDHRQC-UHFFFAOYSA-N 2 2 412.603 3.621 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919644 1001593667 /nfs/dbraw/zinc/59/36/67/1001593667.db2.gz UHLQVZWGBZIKJE-AZUAARDMSA-N 2 2 413.541 3.807 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919644 1001593674 /nfs/dbraw/zinc/59/36/74/1001593674.db2.gz UHLQVZWGBZIKJE-AZUAARDMSA-N 2 2 413.541 3.807 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000498134278 1001656444 /nfs/dbraw/zinc/65/64/44/1001656444.db2.gz DUSPISIFBQXELH-WMZHIEFXSA-N 2 2 409.578 3.658 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113344 1001817409 /nfs/dbraw/zinc/81/74/09/1001817409.db2.gz QELMVQZGVNZQTN-NJYVYQBISA-N 2 2 415.626 3.867 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000498423715 1001854264 /nfs/dbraw/zinc/85/42/64/1001854264.db2.gz DGBHLIKWIPDVJX-UHFFFAOYSA-N 2 2 412.559 3.654 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000498423715 1001854276 /nfs/dbraw/zinc/85/42/76/1001854276.db2.gz DGBHLIKWIPDVJX-UHFFFAOYSA-N 2 2 412.559 3.654 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000507230655 1001917248 /nfs/dbraw/zinc/91/72/48/1001917248.db2.gz IZBLDMZBUZZDSP-ICSRJNTNSA-N 2 2 413.566 3.785 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507505626 1002117485 /nfs/dbraw/zinc/11/74/85/1002117485.db2.gz FJEXLXRUYHPFMM-UHFFFAOYSA-N 2 2 407.864 3.684 20 0 HHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1C(F)(F)F ZINC000507515940 1002127670 /nfs/dbraw/zinc/12/76/70/1002127670.db2.gz WHOOHILREMQWEW-AWEZNQCLSA-N 2 2 412.418 3.863 20 0 HHADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000498778118 1002163478 /nfs/dbraw/zinc/16/34/78/1002163478.db2.gz GPHSVAWEKVQINW-UHFFFAOYSA-N 2 2 412.405 3.801 20 0 HHADLP Cc1ccccc1[C@]1(F)CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000507594435 1002200881 /nfs/dbraw/zinc/20/08/81/1002200881.db2.gz AAESSOLYZJOPQY-DEOSSOPVSA-N 2 2 416.585 3.525 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH+]2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141367 1002525402 /nfs/dbraw/zinc/52/54/02/1002525402.db2.gz LJQDFLGUZVERJM-ROPJFGRJSA-N 2 2 418.629 3.984 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH+]2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141367 1002525413 /nfs/dbraw/zinc/52/54/13/1002525413.db2.gz LJQDFLGUZVERJM-ROPJFGRJSA-N 2 2 418.629 3.984 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148177 1002532097 /nfs/dbraw/zinc/53/20/97/1002532097.db2.gz CAJDDTOXYAQCLF-LGKQTMLJSA-N 3 2 418.629 3.719 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148177 1002532107 /nfs/dbraw/zinc/53/21/07/1002532107.db2.gz CAJDDTOXYAQCLF-LGKQTMLJSA-N 3 2 418.629 3.719 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148177 1002532116 /nfs/dbraw/zinc/53/21/16/1002532116.db2.gz CAJDDTOXYAQCLF-LGKQTMLJSA-N 3 2 418.629 3.719 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148177 1002532131 /nfs/dbraw/zinc/53/21/31/1002532131.db2.gz CAJDDTOXYAQCLF-LGKQTMLJSA-N 3 2 418.629 3.719 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236402 1002627046 /nfs/dbraw/zinc/62/70/46/1002627046.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236402 1002627050 /nfs/dbraw/zinc/62/70/50/1002627050.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236402 1002627056 /nfs/dbraw/zinc/62/70/56/1002627056.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236402 1002627063 /nfs/dbraw/zinc/62/70/63/1002627063.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 3 2 419.613 3.655 20 0 HHADLP C[C@H]1CCC[C@@H](OCCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000499384176 1002775656 /nfs/dbraw/zinc/77/56/56/1002775656.db2.gz NUAVLPAUUFHYBN-NZQKXSOJSA-N 2 2 407.643 3.817 20 0 HHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000508663908 1003105603 /nfs/dbraw/zinc/10/56/03/1003105603.db2.gz RDSSQCHQLGLTDC-LJQANCHMSA-N 2 2 421.383 3.841 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cn2c1 ZINC000499923340 1003249976 /nfs/dbraw/zinc/24/99/76/1003249976.db2.gz UTBFGAWAHDYHLH-HXUWFJFHSA-N 2 2 414.619 3.846 20 0 HHADLP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509023463 1003495038 /nfs/dbraw/zinc/49/50/38/1003495038.db2.gz WCRLUIVQDCNNNS-HXUWFJFHSA-N 2 2 421.511 3.751 20 0 HHADLP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509023463 1003495029 /nfs/dbraw/zinc/49/50/29/1003495029.db2.gz WCRLUIVQDCNNNS-HXUWFJFHSA-N 2 2 421.511 3.751 20 0 HHADLP CC(C)(C)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000509050896 1003516013 /nfs/dbraw/zinc/51/60/13/1003516013.db2.gz AGNDPYHNFKPSIT-UHFFFAOYSA-N 2 2 423.601 3.683 20 0 HHADLP CC(C)(C)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000509050896 1003516017 /nfs/dbraw/zinc/51/60/17/1003516017.db2.gz AGNDPYHNFKPSIT-UHFFFAOYSA-N 2 2 423.601 3.683 20 0 HHADLP O=C(Nc1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509348151 1003721245 /nfs/dbraw/zinc/72/12/45/1003721245.db2.gz KWGMWRIBWGUDKX-UHFFFAOYSA-N 2 2 424.564 3.689 20 0 HHADLP COc1ccc(OC)c(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000500460407 1003730406 /nfs/dbraw/zinc/73/04/06/1003730406.db2.gz JGRNUAUXMGNBBI-UHFFFAOYSA-N 2 2 403.954 3.659 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000511853824 1003834065 /nfs/dbraw/zinc/83/40/65/1003834065.db2.gz MHIMZFRXFUBXFA-UHFFFAOYSA-N 2 2 424.376 3.852 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000500647659 1003860922 /nfs/dbraw/zinc/86/09/22/1003860922.db2.gz HZOAHUAGYDRICD-NHCUHLMSSA-N 2 2 421.589 3.591 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000500672724 1003882726 /nfs/dbraw/zinc/88/27/26/1003882726.db2.gz ZJORXNSSHDZQLC-WOJBJXKFSA-N 2 2 409.578 3.861 20 0 HHADLP CC(C)N1C(=O)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511987212 1003937920 /nfs/dbraw/zinc/93/79/20/1003937920.db2.gz FVJHXJDQHSVKDD-FXAWDEMLSA-N 2 2 424.973 3.837 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cscc2Br)CC1 ZINC000512086777 1004012635 /nfs/dbraw/zinc/01/26/35/1004012635.db2.gz GQGVVSMJMQBNMM-UHFFFAOYSA-N 2 2 408.409 3.938 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000512097462 1004021562 /nfs/dbraw/zinc/02/15/62/1004021562.db2.gz DOCBMEYIGUKNEB-UHFFFAOYSA-N 2 2 415.344 3.878 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000512097462 1004021570 /nfs/dbraw/zinc/02/15/70/1004021570.db2.gz DOCBMEYIGUKNEB-UHFFFAOYSA-N 2 2 415.344 3.878 20 0 HHADLP C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000509715010 1004046679 /nfs/dbraw/zinc/04/66/79/1004046679.db2.gz SWMCBJLPDLMIOG-JOCHJYFZSA-N 2 2 421.589 3.924 20 0 HHADLP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000509715010 1004046690 /nfs/dbraw/zinc/04/66/90/1004046690.db2.gz SWMCBJLPDLMIOG-JOCHJYFZSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733055 1004058998 /nfs/dbraw/zinc/05/89/98/1004058998.db2.gz YZJLABQQZBROBN-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733055 1004059009 /nfs/dbraw/zinc/05/90/09/1004059009.db2.gz YZJLABQQZBROBN-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512199906 1004101101 /nfs/dbraw/zinc/10/11/01/1004101101.db2.gz VXBQJGSLNCEUBV-NQIIRXRSSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512199906 1004101102 /nfs/dbraw/zinc/10/11/02/1004101102.db2.gz VXBQJGSLNCEUBV-NQIIRXRSSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512199906 1004101108 /nfs/dbraw/zinc/10/11/08/1004101108.db2.gz VXBQJGSLNCEUBV-NQIIRXRSSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512199906 1004101113 /nfs/dbraw/zinc/10/11/13/1004101113.db2.gz VXBQJGSLNCEUBV-NQIIRXRSSA-N 2 2 404.599 3.538 20 0 HHADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501008355 1004113352 /nfs/dbraw/zinc/11/33/52/1004113352.db2.gz RJDHCUIIJSJDJW-LPHOPBHVSA-N 2 2 410.965 3.790 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000509817654 1004120366 /nfs/dbraw/zinc/12/03/66/1004120366.db2.gz DFULJCZYCWDTOO-YLJYHZDGSA-N 2 2 410.587 3.650 20 0 HHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501019326 1004121736 /nfs/dbraw/zinc/12/17/36/1004121736.db2.gz CAKOKHYQWBBGDE-HXUWFJFHSA-N 2 2 415.969 3.552 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000501032733 1004135978 /nfs/dbraw/zinc/13/59/78/1004135978.db2.gz BQKKRWZZCNYZBD-FQEVSTJZSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238302 1004140524 /nfs/dbraw/zinc/14/05/24/1004140524.db2.gz ZYNRMGYWNYPUJG-CJFMBICVSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238302 1004140530 /nfs/dbraw/zinc/14/05/30/1004140530.db2.gz ZYNRMGYWNYPUJG-CJFMBICVSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238302 1004140536 /nfs/dbraw/zinc/14/05/36/1004140536.db2.gz ZYNRMGYWNYPUJG-CJFMBICVSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238302 1004140541 /nfs/dbraw/zinc/14/05/41/1004140541.db2.gz ZYNRMGYWNYPUJG-CJFMBICVSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848154 1004145835 /nfs/dbraw/zinc/14/58/35/1004145835.db2.gz BQPJRRHWXJVNJQ-OYRHEFFESA-N 2 2 424.589 3.939 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848154 1004145840 /nfs/dbraw/zinc/14/58/40/1004145840.db2.gz BQPJRRHWXJVNJQ-OYRHEFFESA-N 2 2 424.589 3.939 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848154 1004145845 /nfs/dbraw/zinc/14/58/45/1004145845.db2.gz BQPJRRHWXJVNJQ-OYRHEFFESA-N 2 2 424.589 3.939 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848154 1004145854 /nfs/dbraw/zinc/14/58/54/1004145854.db2.gz BQPJRRHWXJVNJQ-OYRHEFFESA-N 2 2 424.589 3.939 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512256529 1004159195 /nfs/dbraw/zinc/15/91/95/1004159195.db2.gz BTALWRBPGXVRNR-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512256529 1004159200 /nfs/dbraw/zinc/15/92/00/1004159200.db2.gz BTALWRBPGXVRNR-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512256529 1004159207 /nfs/dbraw/zinc/15/92/07/1004159207.db2.gz BTALWRBPGXVRNR-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512256529 1004159212 /nfs/dbraw/zinc/15/92/12/1004159212.db2.gz BTALWRBPGXVRNR-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293642 1004197137 /nfs/dbraw/zinc/19/71/37/1004197137.db2.gz SZCBLDVLCIFWNL-DFIYOIEZSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293642 1004197140 /nfs/dbraw/zinc/19/71/40/1004197140.db2.gz SZCBLDVLCIFWNL-DFIYOIEZSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293642 1004197144 /nfs/dbraw/zinc/19/71/44/1004197144.db2.gz SZCBLDVLCIFWNL-DFIYOIEZSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293642 1004197147 /nfs/dbraw/zinc/19/71/47/1004197147.db2.gz SZCBLDVLCIFWNL-DFIYOIEZSA-N 2 2 409.549 3.989 20 0 HHADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512413555 1004280578 /nfs/dbraw/zinc/28/05/78/1004280578.db2.gz XPBDXUVAORDVRI-DHIUTWEWSA-N 2 2 421.589 3.747 20 0 HHADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512413555 1004280587 /nfs/dbraw/zinc/28/05/87/1004280587.db2.gz XPBDXUVAORDVRI-DHIUTWEWSA-N 2 2 421.589 3.747 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000512551160 1004378760 /nfs/dbraw/zinc/37/87/60/1004378760.db2.gz RDBZNKZPNZTEKK-GMAHTHKFSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000512551160 1004378769 /nfs/dbraw/zinc/37/87/69/1004378769.db2.gz RDBZNKZPNZTEKK-GMAHTHKFSA-N 2 2 421.585 3.549 20 0 HHADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701689 1004504748 /nfs/dbraw/zinc/50/47/48/1004504748.db2.gz SSYBTZZBJUXDLZ-QHCPKHFHSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701689 1004504754 /nfs/dbraw/zinc/50/47/54/1004504754.db2.gz SSYBTZZBJUXDLZ-QHCPKHFHSA-N 2 2 408.590 3.903 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1)[NH+]1CCOCC1 ZINC000512816556 1004577228 /nfs/dbraw/zinc/57/72/28/1004577228.db2.gz VOXHLQKFPWKHHR-ZVDOUQERSA-N 2 2 414.594 3.854 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1)[NH+]1CCOCC1 ZINC000512816556 1004577239 /nfs/dbraw/zinc/57/72/39/1004577239.db2.gz VOXHLQKFPWKHHR-ZVDOUQERSA-N 2 2 414.594 3.854 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512848086 1004611227 /nfs/dbraw/zinc/61/12/27/1004611227.db2.gz ZUNXIJGMDQWQOU-WMZOPIPTSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512848086 1004611234 /nfs/dbraw/zinc/61/12/34/1004611234.db2.gz ZUNXIJGMDQWQOU-WMZOPIPTSA-N 2 2 421.467 3.592 20 0 HHADLP C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510511294 1004634379 /nfs/dbraw/zinc/63/43/79/1004634379.db2.gz KYCSDTJLZHYZJH-BEFAXECRSA-N 2 2 408.949 3.566 20 0 HHADLP C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510511294 1004634382 /nfs/dbraw/zinc/63/43/82/1004634382.db2.gz KYCSDTJLZHYZJH-BEFAXECRSA-N 2 2 408.949 3.566 20 0 HHADLP Cc1ccc(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)cc2)cc1 ZINC000512983376 1004743631 /nfs/dbraw/zinc/74/36/31/1004743631.db2.gz QANGTRZPTFVVNJ-CWAQXLGLSA-N 2 2 421.585 3.747 20 0 HHADLP Cc1ccc(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)cc2)cc1 ZINC000512983376 1004743639 /nfs/dbraw/zinc/74/36/39/1004743639.db2.gz QANGTRZPTFVVNJ-CWAQXLGLSA-N 2 2 421.585 3.747 20 0 HHADLP O=C(Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1)c1cccnc1 ZINC000513070645 1004790848 /nfs/dbraw/zinc/79/08/48/1004790848.db2.gz SFKXFKBWXOGRLO-UHFFFAOYSA-N 2 2 406.452 3.840 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510677865 1004794520 /nfs/dbraw/zinc/79/45/20/1004794520.db2.gz CAKDKQAPGQIDET-VLCRHTCISA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510677865 1004794526 /nfs/dbraw/zinc/79/45/26/1004794526.db2.gz CAKDKQAPGQIDET-VLCRHTCISA-N 2 2 415.375 3.909 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3ccccc3C(F)(F)F)cn2)CC1 ZINC000513134562 1004825083 /nfs/dbraw/zinc/82/50/83/1004825083.db2.gz ZLVFZINFHQJADV-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3ccccc3C(F)(F)F)cn2)CC1 ZINC000513134562 1004825085 /nfs/dbraw/zinc/82/50/85/1004825085.db2.gz ZLVFZINFHQJADV-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@H](CC)[NH+]3CCCC3)c2c1C ZINC000513166674 1004841417 /nfs/dbraw/zinc/84/14/17/1004841417.db2.gz QSKGRLDFJSPRPE-HNNXBMFYSA-N 2 2 419.595 3.524 20 0 HHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(c3nccs3)CC2)CCOCC1)c1ccccc1 ZINC000513216555 1004865591 /nfs/dbraw/zinc/86/55/91/1004865591.db2.gz FBJLLQRWVKMLOK-SFHVURJKSA-N 2 2 400.592 3.602 20 0 HHADLP Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000513410041 1004951027 /nfs/dbraw/zinc/95/10/27/1004951027.db2.gz CQKFPSLQEKUSCC-UHFFFAOYSA-N 2 2 416.953 3.592 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc2n[nH]cc2c1 ZINC000513413950 1004953848 /nfs/dbraw/zinc/95/38/48/1004953848.db2.gz AVSBCPYITQPLBZ-OAHLLOKOSA-N 2 2 412.563 3.541 20 0 HHADLP O=C(COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC1CC1 ZINC000502346869 1005025692 /nfs/dbraw/zinc/02/56/92/1005025692.db2.gz QNPDWKYKIBKCCP-NRFANRHFSA-N 2 2 422.573 3.504 20 0 HHADLP O=C(COc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC1CC1 ZINC000502346869 1005025700 /nfs/dbraw/zinc/02/57/00/1005025700.db2.gz QNPDWKYKIBKCCP-NRFANRHFSA-N 2 2 422.573 3.504 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OCc1ccccc1 ZINC000513662749 1005072011 /nfs/dbraw/zinc/07/20/11/1005072011.db2.gz ZLAYTRSOJPBSRJ-DEOSSOPVSA-N 2 2 423.601 3.876 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OCc1ccccc1 ZINC000513662749 1005072021 /nfs/dbraw/zinc/07/20/21/1005072021.db2.gz ZLAYTRSOJPBSRJ-DEOSSOPVSA-N 2 2 423.601 3.876 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)c(C)cc3OC(F)F)CC2)CC1 ZINC000513668349 1005074912 /nfs/dbraw/zinc/07/49/12/1005074912.db2.gz XJTWQXBSPHSPIL-UHFFFAOYSA-N 2 2 423.548 3.671 20 0 HHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000513678684 1005078780 /nfs/dbraw/zinc/07/87/80/1005078780.db2.gz QYJYZHVKOVLAFO-IBGZPJMESA-N 2 2 410.389 3.871 20 0 HHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000513678684 1005078785 /nfs/dbraw/zinc/07/87/85/1005078785.db2.gz QYJYZHVKOVLAFO-IBGZPJMESA-N 2 2 410.389 3.871 20 0 HHADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccoc1 ZINC000513702327 1005088864 /nfs/dbraw/zinc/08/88/64/1005088864.db2.gz HXXMDSACSNKMEP-NHCUHLMSSA-N 2 2 413.566 3.642 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000511246812 1005089401 /nfs/dbraw/zinc/08/94/01/1005089401.db2.gz HLEKTKZLHJOUPD-RBUKOAKNSA-N 2 2 418.651 3.791 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000511246812 1005089408 /nfs/dbraw/zinc/08/94/08/1005089408.db2.gz HLEKTKZLHJOUPD-RBUKOAKNSA-N 2 2 418.651 3.791 20 0 HHADLP CC[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C)c1 ZINC000502495440 1005091830 /nfs/dbraw/zinc/09/18/30/1005091830.db2.gz MZPWNSZFDKMNSO-BWKNWUBXSA-N 2 2 407.558 3.681 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502572729 1005124763 /nfs/dbraw/zinc/12/47/63/1005124763.db2.gz QNABSINUYSJOEF-VXKWHMMOSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502572729 1005124764 /nfs/dbraw/zinc/12/47/64/1005124764.db2.gz QNABSINUYSJOEF-VXKWHMMOSA-N 2 2 417.569 3.584 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cc4c(ccc5ccccc45)o3)CC2)CC1 ZINC000511498139 1005201816 /nfs/dbraw/zinc/20/18/16/1005201816.db2.gz JBXGNAUYJAPFRF-UHFFFAOYSA-N 2 2 405.542 3.803 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[NH+](Cc4cccs4)CC3)CC2)CC1 ZINC000502821544 1005232585 /nfs/dbraw/zinc/23/25/85/1005232585.db2.gz GQUJMOXJTBRWBU-UHFFFAOYSA-N 2 2 404.624 3.618 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000514166983 1005296360 /nfs/dbraw/zinc/29/63/60/1005296360.db2.gz IRYFOSZLQHKHHH-QFIPXVFZSA-N 2 2 409.509 3.894 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000511751566 1005306872 /nfs/dbraw/zinc/30/68/72/1005306872.db2.gz GVZHROJMADYZBN-QHCPKHFHSA-N 2 2 402.542 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000511751566 1005306879 /nfs/dbraw/zinc/30/68/79/1005306879.db2.gz GVZHROJMADYZBN-QHCPKHFHSA-N 2 2 402.542 3.962 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1Cl ZINC000514197064 1005307685 /nfs/dbraw/zinc/30/76/85/1005307685.db2.gz IDFBQCBTXRVAHM-OXQOHEQNSA-N 2 2 405.974 3.863 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000503073811 1005338913 /nfs/dbraw/zinc/33/89/13/1005338913.db2.gz IGHUIXBGLRWXCH-SFHVURJKSA-N 2 2 411.531 3.546 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000503073811 1005338918 /nfs/dbraw/zinc/33/89/18/1005338918.db2.gz IGHUIXBGLRWXCH-SFHVURJKSA-N 2 2 411.531 3.546 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503075487 1005340061 /nfs/dbraw/zinc/34/00/61/1005340061.db2.gz VBDDNZOMPJHESZ-JPYJTQIMSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503075487 1005340065 /nfs/dbraw/zinc/34/00/65/1005340065.db2.gz VBDDNZOMPJHESZ-JPYJTQIMSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000503078830 1005341356 /nfs/dbraw/zinc/34/13/56/1005341356.db2.gz ABXYFBPUQVJRPZ-ZPZUNKDASA-N 2 2 414.553 3.940 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000503078830 1005341359 /nfs/dbraw/zinc/34/13/59/1005341359.db2.gz ABXYFBPUQVJRPZ-ZPZUNKDASA-N 2 2 414.553 3.940 20 0 HHADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c(OC)c1 ZINC000503381094 1005403496 /nfs/dbraw/zinc/40/34/96/1005403496.db2.gz ZZKLFRJHDXEZQG-INIZCTEOSA-N 2 2 423.517 3.666 20 0 HHADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c(OC)c1 ZINC000503381094 1005403499 /nfs/dbraw/zinc/40/34/99/1005403499.db2.gz ZZKLFRJHDXEZQG-INIZCTEOSA-N 2 2 423.517 3.666 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381187 1005403533 /nfs/dbraw/zinc/40/35/33/1005403533.db2.gz BYUXVMAMXRBKPG-PXNSSMCTSA-N 2 2 412.603 3.996 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381187 1005403534 /nfs/dbraw/zinc/40/35/34/1005403534.db2.gz BYUXVMAMXRBKPG-PXNSSMCTSA-N 2 2 412.603 3.996 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000503385686 1005404699 /nfs/dbraw/zinc/40/46/99/1005404699.db2.gz RXVGTLMRLWQDHB-QHCPKHFHSA-N 2 2 420.601 3.880 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000503385686 1005404702 /nfs/dbraw/zinc/40/47/02/1005404702.db2.gz RXVGTLMRLWQDHB-QHCPKHFHSA-N 2 2 420.601 3.880 20 0 HHADLP COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503389896 1005405844 /nfs/dbraw/zinc/40/58/44/1005405844.db2.gz ILKGXMRMBJVUCL-QGZVFWFLSA-N 2 2 417.937 3.918 20 0 HHADLP COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)c1 ZINC000503389896 1005405845 /nfs/dbraw/zinc/40/58/45/1005405845.db2.gz ILKGXMRMBJVUCL-QGZVFWFLSA-N 2 2 417.937 3.918 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503390935 1005406144 /nfs/dbraw/zinc/40/61/44/1005406144.db2.gz UCUDDBHZQUMORV-QHCPKHFHSA-N 2 2 409.578 3.729 20 0 HHADLP Brc1ccc2[nH+]ccc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000503550989 1005450202 /nfs/dbraw/zinc/45/02/02/1005450202.db2.gz KCKLTYIJWBAGOV-SFHVURJKSA-N 2 2 418.360 3.966 20 0 HHADLP COc1ccccc1Nc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000503634742 1005469795 /nfs/dbraw/zinc/46/97/95/1005469795.db2.gz IKKIMWMDTSFZPZ-UHFFFAOYSA-N 2 2 410.562 3.537 20 0 HHADLP COc1ccccc1Nc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000503634742 1005469796 /nfs/dbraw/zinc/46/97/96/1005469796.db2.gz IKKIMWMDTSFZPZ-UHFFFAOYSA-N 2 2 410.562 3.537 20 0 HHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000504080270 1005548283 /nfs/dbraw/zinc/54/82/83/1005548283.db2.gz HXCLHKSUSIFOLY-UHFFFAOYSA-N 2 2 403.574 3.995 20 0 HHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000531108143 1005997696 /nfs/dbraw/zinc/99/76/96/1005997696.db2.gz FRVYUGKJFVDVDL-UHFFFAOYSA-N 2 2 406.521 3.746 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3F)CCCC2)([NH+]2CCCCC2)CC1 ZINC000534147670 1006127738 /nfs/dbraw/zinc/12/77/38/1006127738.db2.gz XPSRAKSARMAFNH-UHFFFAOYSA-N 2 2 419.560 3.843 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000534176545 1006161622 /nfs/dbraw/zinc/16/16/22/1006161622.db2.gz FVGVNYVJYXPIBC-NQIIRXRSSA-N 2 2 421.010 3.965 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534198453 1006189407 /nfs/dbraw/zinc/18/94/07/1006189407.db2.gz TYJPSRDJGWQPPB-YADHBBJMSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534198453 1006189415 /nfs/dbraw/zinc/18/94/15/1006189415.db2.gz TYJPSRDJGWQPPB-YADHBBJMSA-N 2 2 402.583 3.634 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251939 1006260403 /nfs/dbraw/zinc/26/04/03/1006260403.db2.gz VWJDFNPOIRLOBL-OXQOHEQNSA-N 2 2 419.932 3.715 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251939 1006260412 /nfs/dbraw/zinc/26/04/12/1006260412.db2.gz VWJDFNPOIRLOBL-OXQOHEQNSA-N 2 2 419.932 3.715 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCOc4c(-c5ccccc5)cccc43)cn2)CC1 ZINC000531629706 1006316219 /nfs/dbraw/zinc/31/62/19/1006316219.db2.gz CLNAUQVIONYRPV-HSZRJFAPSA-N 2 2 415.541 3.509 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358289 1006319466 /nfs/dbraw/zinc/31/94/66/1006319466.db2.gz ABZJLMVMERGHLW-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358289 1006319477 /nfs/dbraw/zinc/31/94/77/1006319477.db2.gz ABZJLMVMERGHLW-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360485 1006324339 /nfs/dbraw/zinc/32/43/39/1006324339.db2.gz NDYNJUQUSKGHLZ-USCONSEESA-N 2 2 423.548 3.528 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360485 1006324343 /nfs/dbraw/zinc/32/43/43/1006324343.db2.gz NDYNJUQUSKGHLZ-USCONSEESA-N 2 2 423.548 3.528 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361300 1006325893 /nfs/dbraw/zinc/32/58/93/1006325893.db2.gz YCSKFUDAUCKDKD-DNQXCXABSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361300 1006325898 /nfs/dbraw/zinc/32/58/98/1006325898.db2.gz YCSKFUDAUCKDKD-DNQXCXABSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361708 1006327019 /nfs/dbraw/zinc/32/70/19/1006327019.db2.gz RBHFBPZMCSPTBA-SFHLNBCPSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361708 1006327029 /nfs/dbraw/zinc/32/70/29/1006327029.db2.gz RBHFBPZMCSPTBA-SFHLNBCPSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361720 1006327188 /nfs/dbraw/zinc/32/71/88/1006327188.db2.gz RMCVNEIOWRCFKF-PKTZIBPZSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361720 1006327198 /nfs/dbraw/zinc/32/71/98/1006327198.db2.gz RMCVNEIOWRCFKF-PKTZIBPZSA-N 2 2 419.585 3.780 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381878 1006351627 /nfs/dbraw/zinc/35/16/27/1006351627.db2.gz IGAFZSSOMZTZJV-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381878 1006351640 /nfs/dbraw/zinc/35/16/40/1006351640.db2.gz IGAFZSSOMZTZJV-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381875 1006351880 /nfs/dbraw/zinc/35/18/80/1006351880.db2.gz IGAFZSSOMZTZJV-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381875 1006351891 /nfs/dbraw/zinc/35/18/91/1006351891.db2.gz IGAFZSSOMZTZJV-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382146 1006352961 /nfs/dbraw/zinc/35/29/61/1006352961.db2.gz OFGYZZKSYNAQQE-SFTDATJTSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382146 1006352973 /nfs/dbraw/zinc/35/29/73/1006352973.db2.gz OFGYZZKSYNAQQE-SFTDATJTSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382146 1006352985 /nfs/dbraw/zinc/35/29/85/1006352985.db2.gz OFGYZZKSYNAQQE-SFTDATJTSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382146 1006352996 /nfs/dbraw/zinc/35/29/96/1006352996.db2.gz OFGYZZKSYNAQQE-SFTDATJTSA-N 2 2 424.992 3.986 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383096 1006355136 /nfs/dbraw/zinc/35/51/36/1006355136.db2.gz GAOSHTRTGFFPAI-ZRBLBEILSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383096 1006355147 /nfs/dbraw/zinc/35/51/47/1006355147.db2.gz GAOSHTRTGFFPAI-ZRBLBEILSA-N 2 2 416.585 3.792 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711946 1006372120 /nfs/dbraw/zinc/37/21/20/1006372120.db2.gz UJIWQMATZAOTAA-ICSRJNTNSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711946 1006372132 /nfs/dbraw/zinc/37/21/32/1006372132.db2.gz UJIWQMATZAOTAA-ICSRJNTNSA-N 2 2 411.546 3.675 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000534472872 1006458522 /nfs/dbraw/zinc/45/85/22/1006458522.db2.gz RFLJIACKGGURNP-FQEVSTJZSA-N 2 2 422.495 3.961 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000534472872 1006458533 /nfs/dbraw/zinc/45/85/33/1006458533.db2.gz RFLJIACKGGURNP-FQEVSTJZSA-N 2 2 422.495 3.961 20 0 HHADLP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848346 1006468740 /nfs/dbraw/zinc/46/87/40/1006468740.db2.gz VXTBXACWJIWGMZ-VWLOTQADSA-N 3 2 406.618 3.971 20 0 HHADLP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848346 1006468747 /nfs/dbraw/zinc/46/87/47/1006468747.db2.gz VXTBXACWJIWGMZ-VWLOTQADSA-N 3 2 406.618 3.971 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531874053 1006493434 /nfs/dbraw/zinc/49/34/34/1006493434.db2.gz JWPCOMMJRYIUPL-PMACEKPBSA-N 2 2 402.542 3.818 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1 ZINC000531936874 1006531334 /nfs/dbraw/zinc/53/13/34/1006531334.db2.gz KVZXLEAQFAIJQJ-INIZCTEOSA-N 2 2 416.363 3.688 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939500 1006532524 /nfs/dbraw/zinc/53/25/24/1006532524.db2.gz XPQCKKKSTGIYSV-AWEZNQCLSA-N 2 2 410.440 3.667 20 0 HHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000531958658 1006546798 /nfs/dbraw/zinc/54/67/98/1006546798.db2.gz YEEVDHSPFMYZAO-WZONZLPQSA-N 2 2 424.980 3.560 20 0 HHADLP Fc1cc(F)cc(C2CC([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)C2)c1 ZINC000515710563 1006607346 /nfs/dbraw/zinc/60/73/46/1006607346.db2.gz RPABFTMFGWMVDT-UHFFFAOYSA-N 2 2 402.485 3.712 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000532076965 1006617978 /nfs/dbraw/zinc/61/79/78/1006617978.db2.gz ADCFDHRZTWKRIY-UHFFFAOYSA-N 2 2 418.589 3.606 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532105498 1006639265 /nfs/dbraw/zinc/63/92/65/1006639265.db2.gz HVJJKDGNMUWDBM-FQEVSTJZSA-N 2 2 400.567 3.514 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532105498 1006639270 /nfs/dbraw/zinc/63/92/70/1006639270.db2.gz HVJJKDGNMUWDBM-FQEVSTJZSA-N 2 2 400.567 3.514 20 0 HHADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2)cc1 ZINC000532486877 1006927478 /nfs/dbraw/zinc/92/74/78/1006927478.db2.gz YBKHOALUNWBEQT-UHFFFAOYSA-N 2 2 400.588 3.992 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516330980 1007020963 /nfs/dbraw/zinc/02/09/63/1007020963.db2.gz DGKKUJKYIJOPMN-GOTSBHOMSA-N 2 2 409.599 3.730 20 0 HHADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000535089108 1007103172 /nfs/dbraw/zinc/10/31/72/1007103172.db2.gz QKSWZHHOQFPXDR-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093274 1007107363 /nfs/dbraw/zinc/10/73/63/1007107363.db2.gz BWSQNUUYFRTJMF-PTUXOGIPSA-N 2 2 401.595 3.558 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093274 1007107366 /nfs/dbraw/zinc/10/73/66/1007107366.db2.gz BWSQNUUYFRTJMF-PTUXOGIPSA-N 2 2 401.595 3.558 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094441 1007109591 /nfs/dbraw/zinc/10/95/91/1007109591.db2.gz HWFQEVMNNNVQDH-VXKWHMMOSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094441 1007109599 /nfs/dbraw/zinc/10/95/99/1007109599.db2.gz HWFQEVMNNNVQDH-VXKWHMMOSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095030 1007110759 /nfs/dbraw/zinc/11/07/59/1007110759.db2.gz NANLXLUHLXUEQP-WJFJTQNHSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095030 1007110766 /nfs/dbraw/zinc/11/07/66/1007110766.db2.gz NANLXLUHLXUEQP-WJFJTQNHSA-N 2 2 419.560 3.864 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095446 1007111513 /nfs/dbraw/zinc/11/15/13/1007111513.db2.gz LDHSJYIAIQCQMV-FOVJLYNBSA-N 2 2 415.622 3.984 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095446 1007111519 /nfs/dbraw/zinc/11/15/19/1007111519.db2.gz LDHSJYIAIQCQMV-FOVJLYNBSA-N 2 2 415.622 3.984 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096079 1007113125 /nfs/dbraw/zinc/11/31/25/1007113125.db2.gz SDHPTCQWMZSIGX-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096079 1007113130 /nfs/dbraw/zinc/11/31/30/1007113130.db2.gz SDHPTCQWMZSIGX-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097080 1007115582 /nfs/dbraw/zinc/11/55/82/1007115582.db2.gz VZIHFKWMPFRAKR-RTWAWAEBSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097080 1007115586 /nfs/dbraw/zinc/11/55/86/1007115586.db2.gz VZIHFKWMPFRAKR-RTWAWAEBSA-N 2 2 423.548 3.626 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000538851820 1007125051 /nfs/dbraw/zinc/12/50/51/1007125051.db2.gz DVUZSIZURLGNBH-UHFFFAOYSA-N 3 2 413.009 3.977 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110045 1007135543 /nfs/dbraw/zinc/13/55/43/1007135543.db2.gz HIDXZXLTUIVAHM-NHCUHLMSSA-N 2 2 406.640 3.789 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110045 1007135551 /nfs/dbraw/zinc/13/55/51/1007135551.db2.gz HIDXZXLTUIVAHM-NHCUHLMSSA-N 2 2 406.640 3.789 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112165 1007137267 /nfs/dbraw/zinc/13/72/67/1007137267.db2.gz QAOBXBRVLIKAFD-XYEHWOGUSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112165 1007137274 /nfs/dbraw/zinc/13/72/74/1007137274.db2.gz QAOBXBRVLIKAFD-XYEHWOGUSA-N 2 2 416.610 3.882 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532731347 1007141503 /nfs/dbraw/zinc/14/15/03/1007141503.db2.gz JJZDCLAEILBMFN-JOCHJYFZSA-N 2 2 402.498 3.800 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532731347 1007141509 /nfs/dbraw/zinc/14/15/09/1007141509.db2.gz JJZDCLAEILBMFN-JOCHJYFZSA-N 2 2 402.498 3.800 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117880 1007147969 /nfs/dbraw/zinc/14/79/69/1007147969.db2.gz QPLGWYBGYDHKKX-PMACEKPBSA-N 2 2 410.965 3.598 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117880 1007147976 /nfs/dbraw/zinc/14/79/76/1007147976.db2.gz QPLGWYBGYDHKKX-PMACEKPBSA-N 2 2 410.965 3.598 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119594 1007151570 /nfs/dbraw/zinc/15/15/70/1007151570.db2.gz CNHAQQUSRPADCG-DHIUTWEWSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119594 1007151574 /nfs/dbraw/zinc/15/15/74/1007151574.db2.gz CNHAQQUSRPADCG-DHIUTWEWSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119607 1007151716 /nfs/dbraw/zinc/15/17/16/1007151716.db2.gz CNHAQQUSRPADCG-GOTSBHOMSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119607 1007151719 /nfs/dbraw/zinc/15/17/19/1007151719.db2.gz CNHAQQUSRPADCG-GOTSBHOMSA-N 2 2 418.601 3.655 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122531 1007155887 /nfs/dbraw/zinc/15/58/87/1007155887.db2.gz SYHKHVIQHGECFD-VDGAXYAQSA-N 2 2 421.655 3.745 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122531 1007155894 /nfs/dbraw/zinc/15/58/94/1007155894.db2.gz SYHKHVIQHGECFD-VDGAXYAQSA-N 2 2 421.655 3.745 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535263553 1007313222 /nfs/dbraw/zinc/31/32/22/1007313222.db2.gz ADQGAMGUDODAEJ-DEOSSOPVSA-N 2 2 418.541 3.898 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000535263553 1007313236 /nfs/dbraw/zinc/31/32/36/1007313236.db2.gz ADQGAMGUDODAEJ-DEOSSOPVSA-N 2 2 418.541 3.898 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535263553 1007313250 /nfs/dbraw/zinc/31/32/50/1007313250.db2.gz ADQGAMGUDODAEJ-DEOSSOPVSA-N 2 2 418.541 3.898 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535263553 1007313264 /nfs/dbraw/zinc/31/32/64/1007313264.db2.gz ADQGAMGUDODAEJ-DEOSSOPVSA-N 2 2 418.541 3.898 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882524 1007327896 /nfs/dbraw/zinc/32/78/96/1007327896.db2.gz HWDDBKFYNHQBOH-AABGKKOBSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882524 1007327907 /nfs/dbraw/zinc/32/79/07/1007327907.db2.gz HWDDBKFYNHQBOH-AABGKKOBSA-N 2 2 411.512 3.874 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898181 1007337965 /nfs/dbraw/zinc/33/79/65/1007337965.db2.gz OMDURNVUBIHRAT-ORYQWCPZSA-N 2 2 418.944 3.887 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898181 1007337981 /nfs/dbraw/zinc/33/79/81/1007337981.db2.gz OMDURNVUBIHRAT-ORYQWCPZSA-N 2 2 418.944 3.887 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000535327353 1007380300 /nfs/dbraw/zinc/38/03/00/1007380300.db2.gz NXAUOLPGYMUNGH-FQEVSTJZSA-N 2 2 423.561 3.566 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000533038187 1007398843 /nfs/dbraw/zinc/39/88/43/1007398843.db2.gz XAROVNQFJVOUFF-JOCHJYFZSA-N 3 2 421.633 3.929 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000533089403 1007448771 /nfs/dbraw/zinc/44/87/71/1007448771.db2.gz AEHMHBYJLIVJTD-CTNGQTDRSA-N 2 2 414.509 3.959 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000535394760 1007460691 /nfs/dbraw/zinc/46/06/91/1007460691.db2.gz PMGOWOCHRHKFBX-HJOGWXRNSA-N 2 2 417.557 3.986 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000535394760 1007460697 /nfs/dbraw/zinc/46/06/97/1007460697.db2.gz PMGOWOCHRHKFBX-HJOGWXRNSA-N 2 2 417.557 3.986 20 0 HHADLP Cc1cc([C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)ccc1F ZINC000535415852 1007485390 /nfs/dbraw/zinc/48/53/90/1007485390.db2.gz RGFNWNBCLBTSPL-JOCHJYFZSA-N 2 2 416.585 3.835 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000539219809 1007512022 /nfs/dbraw/zinc/51/20/22/1007512022.db2.gz RRUOZNGHWXNUEB-NHCUHLMSSA-N 2 2 412.578 3.679 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000539219809 1007512031 /nfs/dbraw/zinc/51/20/31/1007512031.db2.gz RRUOZNGHWXNUEB-NHCUHLMSSA-N 2 2 412.578 3.679 20 0 HHADLP CC(C)C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000539243516 1007538023 /nfs/dbraw/zinc/53/80/23/1007538023.db2.gz ODEMFNOCOHIHRV-DEOSSOPVSA-N 2 2 409.574 3.512 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC000517342659 1007582003 /nfs/dbraw/zinc/58/20/03/1007582003.db2.gz KNFGSJISFKGSJY-WWNPGLIZSA-N 2 2 413.512 3.881 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC000517342659 1007582018 /nfs/dbraw/zinc/58/20/18/1007582018.db2.gz KNFGSJISFKGSJY-WWNPGLIZSA-N 2 2 413.512 3.881 20 0 HHADLP O=C(C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533489128 1007799181 /nfs/dbraw/zinc/79/91/81/1007799181.db2.gz ISMGGPBNNWKTHW-VWLOTQADSA-N 2 2 419.569 3.999 20 0 HHADLP O=C(C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533489128 1007799194 /nfs/dbraw/zinc/79/91/94/1007799194.db2.gz ISMGGPBNNWKTHW-VWLOTQADSA-N 2 2 419.569 3.999 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000539505732 1007815594 /nfs/dbraw/zinc/81/55/94/1007815594.db2.gz MHQNIHGYZPRNEC-UHFFFAOYSA-N 2 2 423.479 3.998 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000539509260 1007818708 /nfs/dbraw/zinc/81/87/08/1007818708.db2.gz XZSMHNFHRHSOQA-GKCIPKSASA-N 2 2 411.384 3.876 20 0 HHADLP CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531725 1007853293 /nfs/dbraw/zinc/85/32/93/1007853293.db2.gz LAYRGAQRBSJXRN-KDURUIRLSA-N 2 2 415.626 3.704 20 0 HHADLP CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531725 1007853306 /nfs/dbraw/zinc/85/33/06/1007853306.db2.gz LAYRGAQRBSJXRN-KDURUIRLSA-N 2 2 415.626 3.704 20 0 HHADLP CC[N@H+](CC(=O)N(C)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532949 1007855086 /nfs/dbraw/zinc/85/50/86/1007855086.db2.gz JSUGNBUBFAMPAV-UHFFFAOYSA-N 2 2 423.605 3.858 20 0 HHADLP CC[N@@H+](CC(=O)N(C)Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532949 1007855112 /nfs/dbraw/zinc/85/51/12/1007855112.db2.gz JSUGNBUBFAMPAV-UHFFFAOYSA-N 2 2 423.605 3.858 20 0 HHADLP CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533108 1007855171 /nfs/dbraw/zinc/85/51/71/1007855171.db2.gz QYRONYWPJRJGRI-RXVVDRJESA-N 2 2 415.626 3.894 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533108 1007855189 /nfs/dbraw/zinc/85/51/89/1007855189.db2.gz QYRONYWPJRJGRI-RXVVDRJESA-N 2 2 415.626 3.894 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850560 1007863405 /nfs/dbraw/zinc/86/34/05/1007863405.db2.gz FZBKKADICXONAH-BJKOFHAPSA-N 2 2 410.606 3.827 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850560 1007863410 /nfs/dbraw/zinc/86/34/10/1007863410.db2.gz FZBKKADICXONAH-BJKOFHAPSA-N 2 2 410.606 3.827 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000539552645 1007866075 /nfs/dbraw/zinc/86/60/75/1007866075.db2.gz CISQGMIFQVLZQS-UHFFFAOYSA-N 2 2 410.493 3.540 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851525 1007866453 /nfs/dbraw/zinc/86/64/53/1007866453.db2.gz FBWWFGYLELMWCU-IAGOWNOFSA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851525 1007866487 /nfs/dbraw/zinc/86/64/87/1007866487.db2.gz FBWWFGYLELMWCU-IAGOWNOFSA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851500 1007866583 /nfs/dbraw/zinc/86/65/83/1007866583.db2.gz CRCSQOHUIIWVDQ-MOPGFXCFSA-N 2 2 405.608 3.507 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851500 1007866594 /nfs/dbraw/zinc/86/65/94/1007866594.db2.gz CRCSQOHUIIWVDQ-MOPGFXCFSA-N 2 2 405.608 3.507 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855832 1007870168 /nfs/dbraw/zinc/87/01/68/1007870168.db2.gz OSUNPRQNSOLVED-MSOLQXFVSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855832 1007870179 /nfs/dbraw/zinc/87/01/79/1007870179.db2.gz OSUNPRQNSOLVED-MSOLQXFVSA-N 2 2 412.500 3.510 20 0 HHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874266 1007891428 /nfs/dbraw/zinc/89/14/28/1007891428.db2.gz AMZFCBQUFVCXNW-DBVUQKKJSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874266 1007891437 /nfs/dbraw/zinc/89/14/37/1007891437.db2.gz AMZFCBQUFVCXNW-DBVUQKKJSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874266 1007891447 /nfs/dbraw/zinc/89/14/47/1007891447.db2.gz AMZFCBQUFVCXNW-DBVUQKKJSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874266 1007891456 /nfs/dbraw/zinc/89/14/56/1007891456.db2.gz AMZFCBQUFVCXNW-DBVUQKKJSA-N 2 2 410.965 3.740 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876409 1007894670 /nfs/dbraw/zinc/89/46/70/1007894670.db2.gz MMIAHMBKFQPIHI-GBESFXJTSA-N 2 2 407.628 3.573 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876409 1007894677 /nfs/dbraw/zinc/89/46/77/1007894677.db2.gz MMIAHMBKFQPIHI-GBESFXJTSA-N 2 2 407.628 3.573 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647130 1007955791 /nfs/dbraw/zinc/95/57/91/1007955791.db2.gz BNRUJEVJUKCTQS-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647130 1007955797 /nfs/dbraw/zinc/95/57/97/1007955797.db2.gz BNRUJEVJUKCTQS-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)[C@H]1C[C@@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648301 1007958612 /nfs/dbraw/zinc/95/86/12/1007958612.db2.gz LESJAWFJVZTXOF-QJXQVQFTSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)[C@H]1C[C@@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648301 1007958654 /nfs/dbraw/zinc/95/86/54/1007958654.db2.gz LESJAWFJVZTXOF-QJXQVQFTSA-N 2 2 409.618 3.686 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649906 1007961177 /nfs/dbraw/zinc/96/11/77/1007961177.db2.gz YIMLYECEEZGOAA-FGZHOGPDSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649906 1007961186 /nfs/dbraw/zinc/96/11/86/1007961186.db2.gz YIMLYECEEZGOAA-FGZHOGPDSA-N 2 2 419.635 3.583 20 0 HHADLP CN(C(=O)[C@H]1SCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649951 1007961516 /nfs/dbraw/zinc/96/15/16/1007961516.db2.gz ZCLYJIGVBVLBJY-ZLNRFVROSA-N 2 2 415.647 3.813 20 0 HHADLP CN(C(=O)[C@H]1SCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649951 1007961531 /nfs/dbraw/zinc/96/15/31/1007961531.db2.gz ZCLYJIGVBVLBJY-ZLNRFVROSA-N 2 2 415.647 3.813 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650274 1007963092 /nfs/dbraw/zinc/96/30/92/1007963092.db2.gz VHDTZIBOPFTTAB-OALUTQOASA-N 2 2 415.578 3.516 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650274 1007963104 /nfs/dbraw/zinc/96/31/04/1007963104.db2.gz VHDTZIBOPFTTAB-OALUTQOASA-N 2 2 415.578 3.516 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650907 1007964031 /nfs/dbraw/zinc/96/40/31/1007964031.db2.gz IYVFGCLDSMFJSC-VQTJNVASSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650907 1007964043 /nfs/dbraw/zinc/96/40/43/1007964043.db2.gz IYVFGCLDSMFJSC-VQTJNVASSA-N 2 2 409.521 3.697 20 0 HHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cn1cccn1 ZINC000539660861 1007977737 /nfs/dbraw/zinc/97/77/37/1007977737.db2.gz QZPKYXYIXLDTEK-PGRDOPGGSA-N 2 2 420.561 3.648 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662186 1007978373 /nfs/dbraw/zinc/97/83/73/1007978373.db2.gz CRSXEHSYVOFOPY-FGZHOGPDSA-N 2 2 418.651 3.757 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662186 1007978378 /nfs/dbraw/zinc/97/83/78/1007978378.db2.gz CRSXEHSYVOFOPY-FGZHOGPDSA-N 2 2 418.651 3.757 20 0 HHADLP CCC(CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCC1 ZINC000517813330 1007987384 /nfs/dbraw/zinc/98/73/84/1007987384.db2.gz RXLIIHFSZISZRI-OAQYLSRUSA-N 2 2 401.530 3.711 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000536082557 1008107755 /nfs/dbraw/zinc/10/77/55/1008107755.db2.gz RHQLXPJEBHSUKJ-OAQYLSRUSA-N 2 2 415.541 3.896 20 0 HHADLP Cc1ncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1-c1ccccc1 ZINC000539823774 1008118506 /nfs/dbraw/zinc/11/85/06/1008118506.db2.gz QRDYIJVXTHSDJN-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP Cc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1-c1ccccc1 ZINC000539823774 1008118511 /nfs/dbraw/zinc/11/85/11/1008118511.db2.gz QRDYIJVXTHSDJN-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832565 1008126010 /nfs/dbraw/zinc/12/60/10/1008126010.db2.gz UNOJRJBCGYACPJ-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832565 1008126012 /nfs/dbraw/zinc/12/60/12/1008126012.db2.gz UNOJRJBCGYACPJ-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832565 1008126018 /nfs/dbraw/zinc/12/60/18/1008126018.db2.gz UNOJRJBCGYACPJ-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832565 1008126020 /nfs/dbraw/zinc/12/60/20/1008126020.db2.gz UNOJRJBCGYACPJ-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP Cn1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000539860136 1008145769 /nfs/dbraw/zinc/14/57/69/1008145769.db2.gz RMLWNMZJCQFEDH-UHFFFAOYSA-N 2 2 423.630 3.836 20 0 HHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000539864122 1008148347 /nfs/dbraw/zinc/14/83/47/1008148347.db2.gz YNAQHPUIEQYPQX-IBGZPJMESA-N 2 2 410.002 3.738 20 0 HHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000539864122 1008148352 /nfs/dbraw/zinc/14/83/52/1008148352.db2.gz YNAQHPUIEQYPQX-IBGZPJMESA-N 2 2 410.002 3.738 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000539865379 1008148951 /nfs/dbraw/zinc/14/89/51/1008148951.db2.gz YAXKISCTBSIJNQ-UHFFFAOYSA-N 2 2 422.495 3.867 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000518359301 1008276031 /nfs/dbraw/zinc/27/60/31/1008276031.db2.gz XKNNLGDGQDAEKG-KRWDZBQOSA-N 2 2 424.524 3.806 20 0 HHADLP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000540151700 1008313230 /nfs/dbraw/zinc/31/32/30/1008313230.db2.gz PAHQDNPGNGBCMQ-OALUTQOASA-N 2 2 413.562 3.992 20 0 HHADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000540176984 1008324096 /nfs/dbraw/zinc/32/40/96/1008324096.db2.gz WTFOTRUOOVZBTM-DXIQSLLYSA-N 2 2 407.562 3.510 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000518523663 1008337253 /nfs/dbraw/zinc/33/72/53/1008337253.db2.gz NNUQZHKCJCETAF-UHFFFAOYSA-N 2 2 421.520 3.656 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000540348664 1008392098 /nfs/dbraw/zinc/39/20/98/1008392098.db2.gz SKLFYAQJPFHUOY-UHFFFAOYSA-N 2 2 419.245 3.625 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000540348664 1008392101 /nfs/dbraw/zinc/39/21/01/1008392101.db2.gz SKLFYAQJPFHUOY-UHFFFAOYSA-N 2 2 419.245 3.625 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405550 1008419038 /nfs/dbraw/zinc/41/90/38/1008419038.db2.gz ABDHTGFLSYICBD-HSZRJFAPSA-N 2 2 403.517 3.580 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)CC1 ZINC000540503628 1008458423 /nfs/dbraw/zinc/45/84/23/1008458423.db2.gz LSHQVHGWAMPIAS-UHFFFAOYSA-N 2 2 405.030 3.931 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540544955 1008475452 /nfs/dbraw/zinc/47/54/52/1008475452.db2.gz WWFUSQDLBGRJEF-OALUTQOASA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540544955 1008475455 /nfs/dbraw/zinc/47/54/55/1008475455.db2.gz WWFUSQDLBGRJEF-OALUTQOASA-N 2 2 405.612 3.821 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548190 1008476469 /nfs/dbraw/zinc/47/64/69/1008476469.db2.gz DAWOFIHYOFKVRI-RTWAWAEBSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548190 1008476473 /nfs/dbraw/zinc/47/64/73/1008476473.db2.gz DAWOFIHYOFKVRI-RTWAWAEBSA-N 2 2 413.566 3.937 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518967275 1008490344 /nfs/dbraw/zinc/49/03/44/1008490344.db2.gz IDKRRKYCQHSAPU-LJQANCHMSA-N 2 2 422.564 3.885 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518967275 1008490348 /nfs/dbraw/zinc/49/03/48/1008490348.db2.gz IDKRRKYCQHSAPU-LJQANCHMSA-N 2 2 422.564 3.885 20 0 HHADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981771 1008560386 /nfs/dbraw/zinc/56/03/86/1008560386.db2.gz BIWYPHMXRVIDNX-XMMPIXPASA-N 2 2 404.558 3.776 20 0 HHADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981771 1008560399 /nfs/dbraw/zinc/56/03/99/1008560399.db2.gz BIWYPHMXRVIDNX-XMMPIXPASA-N 2 2 404.558 3.776 20 0 HHADLP CCCC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000519210071 1008615658 /nfs/dbraw/zinc/61/56/58/1008615658.db2.gz IOZAQPIYBVCYAQ-JOCHJYFZSA-N 2 2 404.599 3.594 20 0 HHADLP CCCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000519210071 1008615666 /nfs/dbraw/zinc/61/56/66/1008615666.db2.gz IOZAQPIYBVCYAQ-JOCHJYFZSA-N 2 2 404.599 3.594 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040806 1008622879 /nfs/dbraw/zinc/62/28/79/1008622879.db2.gz KTMRPDVHXUIGAL-XUZZJYLKSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040806 1008622883 /nfs/dbraw/zinc/62/28/83/1008622883.db2.gz KTMRPDVHXUIGAL-XUZZJYLKSA-N 2 2 423.605 3.996 20 0 HHADLP Brc1ccc(-c2nnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)o1 ZINC000543061457 1008639624 /nfs/dbraw/zinc/63/96/24/1008639624.db2.gz WQJVXPJHMPEEEK-UHFFFAOYSA-N 2 2 420.311 3.981 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109661 1008682789 /nfs/dbraw/zinc/68/27/89/1008682789.db2.gz RMXICCJDWGPJFH-GINCHNKNSA-N 2 2 401.639 3.998 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109661 1008682793 /nfs/dbraw/zinc/68/27/93/1008682793.db2.gz RMXICCJDWGPJFH-GINCHNKNSA-N 2 2 401.639 3.998 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)c1 ZINC000543262019 1008832813 /nfs/dbraw/zinc/83/28/13/1008832813.db2.gz IDJVJRXPBSZMMY-OFNKIYASSA-N 2 2 424.589 3.921 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cnccn3)cc2)CC1 ZINC000543405680 1008999846 /nfs/dbraw/zinc/99/98/46/1008999846.db2.gz CCKOSUDOBSSCLN-RUZDIDTESA-N 2 2 419.548 3.632 20 0 HHADLP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)c2cccs2)CC1 ZINC000543407257 1009000665 /nfs/dbraw/zinc/00/06/65/1009000665.db2.gz QZZFCYULLNLLKX-JTHBVZDNSA-N 2 2 410.562 3.950 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044756 /nfs/dbraw/zinc/04/47/56/1009044756.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459923 1009044767 /nfs/dbraw/zinc/04/47/67/1009044767.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459923 1009044783 /nfs/dbraw/zinc/04/47/83/1009044783.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459923 1009044793 /nfs/dbraw/zinc/04/47/93/1009044793.db2.gz GXWPTFVXFJZKIL-KAOXLYBCSA-N 4 2 404.687 3.862 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042566 1009066006 /nfs/dbraw/zinc/06/60/06/1009066006.db2.gz PCFVECLHXBQXIH-LSTHTHJFSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042566 1009066022 /nfs/dbraw/zinc/06/60/22/1009066022.db2.gz PCFVECLHXBQXIH-LSTHTHJFSA-N 2 2 421.655 3.534 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546125847 1009149446 /nfs/dbraw/zinc/14/94/46/1009149446.db2.gz YNYFFZHFSYNATN-AZUAARDMSA-N 2 2 404.917 3.894 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546125847 1009149455 /nfs/dbraw/zinc/14/94/55/1009149455.db2.gz YNYFFZHFSYNATN-AZUAARDMSA-N 2 2 404.917 3.894 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000543588222 1009193692 /nfs/dbraw/zinc/19/36/92/1009193692.db2.gz NFASUOXWRZQZEB-UHFFFAOYSA-N 2 2 409.578 3.981 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000543588222 1009193698 /nfs/dbraw/zinc/19/36/98/1009193698.db2.gz NFASUOXWRZQZEB-UHFFFAOYSA-N 2 2 409.578 3.981 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)cc[nH+]1 ZINC000543589170 1009196000 /nfs/dbraw/zinc/19/60/00/1009196000.db2.gz VJYMGJVCJUUFRR-HSZRJFAPSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)c2)cc[nH+]1 ZINC000543589170 1009196009 /nfs/dbraw/zinc/19/60/09/1009196009.db2.gz VJYMGJVCJUUFRR-HSZRJFAPSA-N 2 2 415.541 3.792 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546167208 1009199091 /nfs/dbraw/zinc/19/90/91/1009199091.db2.gz KAJLYCNPICOBCT-APWZRJJASA-N 2 2 423.399 3.632 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546167208 1009199101 /nfs/dbraw/zinc/19/91/01/1009199101.db2.gz KAJLYCNPICOBCT-APWZRJJASA-N 2 2 423.399 3.632 20 0 HHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000543601061 1009206506 /nfs/dbraw/zinc/20/65/06/1009206506.db2.gz GBOILLMKMWDFAF-SFTDATJTSA-N 2 2 401.576 3.957 20 0 HHADLP Cc1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccco2)s1 ZINC000520130042 1009282444 /nfs/dbraw/zinc/28/24/44/1009282444.db2.gz QIVSWZACQBUHGO-UHFFFAOYSA-N 2 2 424.570 3.786 20 0 HHADLP Cc1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccco2)s1 ZINC000520130042 1009282454 /nfs/dbraw/zinc/28/24/54/1009282454.db2.gz QIVSWZACQBUHGO-UHFFFAOYSA-N 2 2 424.570 3.786 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000520177868 1009322563 /nfs/dbraw/zinc/32/25/63/1009322563.db2.gz JEIJTPDFQFFNJB-HSZRJFAPSA-N 2 2 411.615 3.935 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549945145 1009553812 /nfs/dbraw/zinc/55/38/12/1009553812.db2.gz WMZGIHGDPRVRGS-YADHBBJMSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549945145 1009553824 /nfs/dbraw/zinc/55/38/24/1009553824.db2.gz WMZGIHGDPRVRGS-YADHBBJMSA-N 2 2 412.578 3.911 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543964807 1009567069 /nfs/dbraw/zinc/56/70/69/1009567069.db2.gz MJJAMJUYVZNPFT-UHFFFAOYSA-N 2 2 409.578 3.750 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544037659 1009638928 /nfs/dbraw/zinc/63/89/28/1009638928.db2.gz RLXKZSMKPPQFPS-DQEYMECFSA-N 2 2 422.617 3.815 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544037659 1009638931 /nfs/dbraw/zinc/63/89/31/1009638931.db2.gz RLXKZSMKPPQFPS-DQEYMECFSA-N 2 2 422.617 3.815 20 0 HHADLP CC[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546758664 1009725977 /nfs/dbraw/zinc/72/59/77/1009725977.db2.gz SGFPTUXONHDULS-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CC[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000546758664 1009725984 /nfs/dbraw/zinc/72/59/84/1009725984.db2.gz SGFPTUXONHDULS-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550318610 1009858853 /nfs/dbraw/zinc/85/88/53/1009858853.db2.gz BKUDOQQORFMZDD-DNVJHFABSA-N 2 2 411.590 3.542 20 0 HHADLP CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550318610 1009858873 /nfs/dbraw/zinc/85/88/73/1009858873.db2.gz BKUDOQQORFMZDD-DNVJHFABSA-N 2 2 411.590 3.542 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546907379 1009866010 /nfs/dbraw/zinc/86/60/10/1009866010.db2.gz NFYQYGZCHXEXDT-NXHRZFHOSA-N 2 2 406.537 3.696 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546907379 1009866032 /nfs/dbraw/zinc/86/60/32/1009866032.db2.gz NFYQYGZCHXEXDT-NXHRZFHOSA-N 2 2 406.537 3.696 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892059 1009947666 /nfs/dbraw/zinc/94/76/66/1009947666.db2.gz YEJXMEBUMUPVOB-UYAOXDASSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892059 1009947683 /nfs/dbraw/zinc/94/76/83/1009947683.db2.gz YEJXMEBUMUPVOB-UYAOXDASSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892059 1009947693 /nfs/dbraw/zinc/94/76/93/1009947693.db2.gz YEJXMEBUMUPVOB-UYAOXDASSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892059 1009947704 /nfs/dbraw/zinc/94/77/04/1009947704.db2.gz YEJXMEBUMUPVOB-UYAOXDASSA-N 2 2 417.594 3.697 20 0 HHADLP COc1ccc(Cl)cc1CN1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544347817 1009973447 /nfs/dbraw/zinc/97/34/47/1009973447.db2.gz DXTYSZRXBOYSFP-UHFFFAOYSA-N 2 2 411.937 3.556 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000544363282 1009991415 /nfs/dbraw/zinc/99/14/15/1009991415.db2.gz WJGGTZSQHHTFDK-RUZDIDTESA-N 2 2 418.585 3.699 20 0 HHADLP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419771 1010037504 /nfs/dbraw/zinc/03/75/04/1010037504.db2.gz NBGUHSMNFWNYPQ-IAGOWNOFSA-N 2 2 400.592 3.892 20 0 HHADLP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419771 1010037515 /nfs/dbraw/zinc/03/75/15/1010037515.db2.gz NBGUHSMNFWNYPQ-IAGOWNOFSA-N 2 2 400.592 3.892 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421519 1010040067 /nfs/dbraw/zinc/04/00/67/1010040067.db2.gz KKUPZNFQYWJGNO-OALUTQOASA-N 2 2 424.589 3.527 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421519 1010040083 /nfs/dbraw/zinc/04/00/83/1010040083.db2.gz KKUPZNFQYWJGNO-OALUTQOASA-N 2 2 424.589 3.527 20 0 HHADLP CCc1ccc([C@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+](C)C)cc1 ZINC000544466807 1010090367 /nfs/dbraw/zinc/09/03/67/1010090367.db2.gz PNFVRSWEUGHFQD-QHCPKHFHSA-N 2 2 417.557 3.992 20 0 HHADLP CC(C)n1cc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000544468231 1010091700 /nfs/dbraw/zinc/09/17/00/1010091700.db2.gz JKKHPBQPCPOSNW-UTKZUKDTSA-N 2 2 417.985 3.721 20 0 HHADLP Cc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c(OCC[NH+](C)C)c1 ZINC000521116838 1010138755 /nfs/dbraw/zinc/13/87/55/1010138755.db2.gz ZIRKAXSQUKVHHT-UHFFFAOYSA-N 2 2 419.529 3.898 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521206261 1010229472 /nfs/dbraw/zinc/22/94/72/1010229472.db2.gz UZRNEAAWOAWIGF-VWPQPMDRSA-N 2 2 403.636 3.651 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521206261 1010229484 /nfs/dbraw/zinc/22/94/84/1010229484.db2.gz UZRNEAAWOAWIGF-VWPQPMDRSA-N 2 2 403.636 3.651 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000521467233 1010388823 /nfs/dbraw/zinc/38/88/23/1010388823.db2.gz GSLIPQZBBKCXCW-NBGIEHNGSA-N 2 2 409.549 3.726 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000521467233 1010388834 /nfs/dbraw/zinc/38/88/34/1010388834.db2.gz GSLIPQZBBKCXCW-NBGIEHNGSA-N 2 2 409.549 3.726 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544822579 1010414176 /nfs/dbraw/zinc/41/41/76/1010414176.db2.gz UJCDQNJBCMBIQL-UHFFFAOYSA-N 2 2 407.345 3.849 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000521623517 1010509669 /nfs/dbraw/zinc/50/96/69/1010509669.db2.gz JOYMAKXZAYTNCQ-LJQANCHMSA-N 2 2 415.969 3.864 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(c2ccccc2)CCCC1 ZINC000548168555 1010550684 /nfs/dbraw/zinc/55/06/84/1010550684.db2.gz NJVQJTKQHIISFP-OAQYLSRUSA-N 2 2 406.574 3.610 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000551556732 1010658738 /nfs/dbraw/zinc/65/87/38/1010658738.db2.gz UXOMWCDZRQJAMW-PBHICJAKSA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000551556732 1010658741 /nfs/dbraw/zinc/65/87/41/1010658741.db2.gz UXOMWCDZRQJAMW-PBHICJAKSA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000545205069 1010682993 /nfs/dbraw/zinc/68/29/93/1010682993.db2.gz PLQFIBWVAANMJC-UHFFFAOYSA-N 2 2 411.384 3.734 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522073931 1010793185 /nfs/dbraw/zinc/79/31/85/1010793185.db2.gz JAFFSCDBESJXAY-FQEVSTJZSA-N 2 2 424.992 3.865 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522073931 1010793192 /nfs/dbraw/zinc/79/31/92/1010793192.db2.gz JAFFSCDBESJXAY-FQEVSTJZSA-N 2 2 424.992 3.865 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522073932 1010793279 /nfs/dbraw/zinc/79/32/79/1010793279.db2.gz JAFFSCDBESJXAY-HXUWFJFHSA-N 2 2 424.992 3.865 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522073932 1010793286 /nfs/dbraw/zinc/79/32/86/1010793286.db2.gz JAFFSCDBESJXAY-HXUWFJFHSA-N 2 2 424.992 3.865 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000522282843 1010905357 /nfs/dbraw/zinc/90/53/57/1010905357.db2.gz SJORFKTWNPEJPP-HXUWFJFHSA-N 2 2 409.578 3.512 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000522742239 1011189099 /nfs/dbraw/zinc/18/90/99/1011189099.db2.gz HMPSGPYIAZCMSY-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752942 1011195324 /nfs/dbraw/zinc/19/53/24/1011195324.db2.gz WEJKGQGJPDFLGS-YZGWKJHDSA-N 2 2 405.464 3.905 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522752942 1011195329 /nfs/dbraw/zinc/19/53/29/1011195329.db2.gz WEJKGQGJPDFLGS-YZGWKJHDSA-N 2 2 405.464 3.905 20 0 HHADLP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000540787600 1011447826 /nfs/dbraw/zinc/44/78/26/1011447826.db2.gz HIKQRELJYRVPQI-SFHVURJKSA-N 2 2 419.577 3.983 20 0 HHADLP C[C@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664895 1011816301 /nfs/dbraw/zinc/81/63/01/1011816301.db2.gz VRXNAJOCMQBSJI-MGPUTAFESA-N 2 2 410.389 3.727 20 0 HHADLP C[C@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664895 1011816320 /nfs/dbraw/zinc/81/63/20/1011816320.db2.gz VRXNAJOCMQBSJI-MGPUTAFESA-N 2 2 410.389 3.727 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc2ccc(Cl)cn12 ZINC000536666837 1011819591 /nfs/dbraw/zinc/81/95/91/1011819591.db2.gz OWEDXRCXKYJZQO-UHFFFAOYSA-N 3 2 404.002 3.616 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc2ccc(Cl)cn12 ZINC000536666837 1011819607 /nfs/dbraw/zinc/81/96/07/1011819607.db2.gz OWEDXRCXKYJZQO-UHFFFAOYSA-N 3 2 404.002 3.616 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251872 1011932655 /nfs/dbraw/zinc/93/26/55/1011932655.db2.gz NDKYHDKAJVHZOQ-VQTJNVASSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251872 1011932675 /nfs/dbraw/zinc/93/26/75/1011932675.db2.gz NDKYHDKAJVHZOQ-VQTJNVASSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251869 1011933587 /nfs/dbraw/zinc/93/35/87/1011933587.db2.gz NDKYHDKAJVHZOQ-UXHICEINSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251869 1011933594 /nfs/dbraw/zinc/93/35/94/1011933594.db2.gz NDKYHDKAJVHZOQ-UXHICEINSA-N 2 2 409.521 3.697 20 0 HHADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000551827258 1011985335 /nfs/dbraw/zinc/98/53/35/1011985335.db2.gz VSKVCUBAJZMJSU-UHFFFAOYSA-N 2 2 403.929 3.823 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000551827258 1011985342 /nfs/dbraw/zinc/98/53/42/1011985342.db2.gz VSKVCUBAJZMJSU-UHFFFAOYSA-N 2 2 403.929 3.823 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000551900674 1012020461 /nfs/dbraw/zinc/02/04/61/1012020461.db2.gz MNQWGZNAZDDICP-HXUWFJFHSA-N 2 2 401.942 3.720 20 0 HHADLP Clc1cccc([C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCOCC2)c1 ZINC000541314438 1012022018 /nfs/dbraw/zinc/02/20/18/1012022018.db2.gz FQMUHFVCMNHSDY-FQEVSTJZSA-N 2 2 402.951 3.750 20 0 HHADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322893 1012034274 /nfs/dbraw/zinc/03/42/74/1012034274.db2.gz WAWCBBQMBDWSCP-YADARESESA-N 2 2 423.557 3.549 20 0 HHADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322893 1012034293 /nfs/dbraw/zinc/03/42/93/1012034293.db2.gz WAWCBBQMBDWSCP-YADARESESA-N 2 2 423.557 3.549 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057909 1012074274 /nfs/dbraw/zinc/07/42/74/1012074274.db2.gz MJTPEAVEYGAADN-XZOQPEGZSA-N 2 2 408.030 3.736 20 0 HHADLP Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000552058970 1012076492 /nfs/dbraw/zinc/07/64/92/1012076492.db2.gz GKDDOXVXUQPQFO-IBGZPJMESA-N 2 2 418.969 3.723 20 0 HHADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000523553312 1012089649 /nfs/dbraw/zinc/08/96/49/1012089649.db2.gz XPNDULRVLXHZBL-NRFANRHFSA-N 2 2 410.562 3.893 20 0 HHADLP CCc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000523553312 1012089683 /nfs/dbraw/zinc/08/96/83/1012089683.db2.gz XPNDULRVLXHZBL-NRFANRHFSA-N 2 2 410.562 3.893 20 0 HHADLP CC(C)C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000536864916 1012101446 /nfs/dbraw/zinc/10/14/46/1012101446.db2.gz STOXFXVZPCYYRF-FGZHOGPDSA-N 2 2 409.578 3.659 20 0 HHADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)c1 ZINC000536872032 1012112148 /nfs/dbraw/zinc/11/21/48/1012112148.db2.gz WRASTAMQQPHRSU-VQTJNVASSA-N 2 2 415.969 3.676 20 0 HHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000536876068 1012118748 /nfs/dbraw/zinc/11/87/48/1012118748.db2.gz KYZXJKVGMOGPGY-MBSDFSHPSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000536876068 1012118758 /nfs/dbraw/zinc/11/87/58/1012118758.db2.gz KYZXJKVGMOGPGY-MBSDFSHPSA-N 2 2 415.603 3.792 20 0 HHADLP C[C@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000536895162 1012148928 /nfs/dbraw/zinc/14/89/28/1012148928.db2.gz YQJKNJTYHCBCAH-IRXDYDNUSA-N 2 2 403.954 3.983 20 0 HHADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541479340 1012251046 /nfs/dbraw/zinc/25/10/46/1012251046.db2.gz WEBVWIQQEDQWIM-HNNXBMFYSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541479340 1012251062 /nfs/dbraw/zinc/25/10/62/1012251062.db2.gz WEBVWIQQEDQWIM-HNNXBMFYSA-N 2 2 413.393 3.693 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541552235 1012339477 /nfs/dbraw/zinc/33/94/77/1012339477.db2.gz YIZHUZOLORIVOQ-VWLOTQADSA-N 2 2 404.558 3.657 20 0 HHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552339666 1012351838 /nfs/dbraw/zinc/35/18/38/1012351838.db2.gz CUDIJASBCRAHJX-ZKDVWNCHSA-N 2 2 413.606 3.636 20 0 HHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552339666 1012351854 /nfs/dbraw/zinc/35/18/54/1012351854.db2.gz CUDIJASBCRAHJX-ZKDVWNCHSA-N 2 2 413.606 3.636 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1OC(F)F ZINC000537042846 1012363322 /nfs/dbraw/zinc/36/33/22/1012363322.db2.gz JIKDMAMTPFMINY-QZTJIDSGSA-N 2 2 417.500 3.844 20 0 HHADLP O=C(CC[NH2+][C@@H](Cc1ccccc1)c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000541596671 1012389188 /nfs/dbraw/zinc/38/91/88/1012389188.db2.gz CVGBXCPAJXIPKP-NRFANRHFSA-N 2 2 420.582 3.755 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724173 1012574718 /nfs/dbraw/zinc/57/47/18/1012574718.db2.gz WQGQJMWELPEYJJ-WZONZLPQSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724173 1012574727 /nfs/dbraw/zinc/57/47/27/1012574727.db2.gz WQGQJMWELPEYJJ-WZONZLPQSA-N 2 2 415.541 3.790 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537235641 1012673246 /nfs/dbraw/zinc/67/32/46/1012673246.db2.gz IMXFUFNKOPJLBM-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537235641 1012673258 /nfs/dbraw/zinc/67/32/58/1012673258.db2.gz IMXFUFNKOPJLBM-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000537259448 1012708944 /nfs/dbraw/zinc/70/89/44/1012708944.db2.gz OHGQGTRJODMKBJ-QFIPXVFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000537259448 1012708961 /nfs/dbraw/zinc/70/89/61/1012708961.db2.gz OHGQGTRJODMKBJ-QFIPXVFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000537259448 1012708978 /nfs/dbraw/zinc/70/89/78/1012708978.db2.gz OHGQGTRJODMKBJ-QFIPXVFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000537259448 1012708997 /nfs/dbraw/zinc/70/89/97/1012708997.db2.gz OHGQGTRJODMKBJ-QFIPXVFZSA-N 2 2 413.587 3.628 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001670854654 1071793896 /nfs/dbraw/zinc/79/38/96/1071793896.db2.gz KVULQPLDMYYFRO-GXRSIYKFSA-N 2 2 422.658 3.559 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001670854654 1071793906 /nfs/dbraw/zinc/79/39/06/1071793906.db2.gz KVULQPLDMYYFRO-GXRSIYKFSA-N 2 2 422.658 3.559 20 0 HHADLP c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683761 1071805788 /nfs/dbraw/zinc/80/57/88/1071805788.db2.gz ZZFLOPKKFWNJGK-ZEQRLZLVSA-N 2 2 402.542 3.551 20 0 HHADLP c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683761 1071805795 /nfs/dbraw/zinc/80/57/95/1071805795.db2.gz ZZFLOPKKFWNJGK-ZEQRLZLVSA-N 2 2 402.542 3.551 20 0 HHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683759 1071805975 /nfs/dbraw/zinc/80/59/75/1071805975.db2.gz ZZFLOPKKFWNJGK-DNQXCXABSA-N 2 2 402.542 3.551 20 0 HHADLP c1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683759 1071805993 /nfs/dbraw/zinc/80/59/93/1071805993.db2.gz ZZFLOPKKFWNJGK-DNQXCXABSA-N 2 2 402.542 3.551 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684396 1071806572 /nfs/dbraw/zinc/80/65/72/1071806572.db2.gz NWJMHDRVQXBVLP-RPWUZVMVSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684396 1071806590 /nfs/dbraw/zinc/80/65/90/1071806590.db2.gz NWJMHDRVQXBVLP-RPWUZVMVSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684629 1071822608 /nfs/dbraw/zinc/82/26/08/1071822608.db2.gz UQXPQTWOHGGADE-RPBOFIJWSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684629 1071822620 /nfs/dbraw/zinc/82/26/20/1071822620.db2.gz UQXPQTWOHGGADE-RPBOFIJWSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC001625983181 1072214583 /nfs/dbraw/zinc/21/45/83/1072214583.db2.gz ZWWJLPPMOIZHDJ-UHFFFAOYSA-N 2 2 400.526 3.950 20 0 HHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000589999897 1073441480 /nfs/dbraw/zinc/44/14/80/1073441480.db2.gz XHFYYVRMDPOLEV-UHFFFAOYSA-N 2 2 411.472 3.574 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590158148 1073600183 /nfs/dbraw/zinc/60/01/83/1073600183.db2.gz ZBGBNBLZFKWVBX-HKUYNNGSSA-N 2 2 401.942 3.789 20 0 HHADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000600327039 1073749301 /nfs/dbraw/zinc/74/93/01/1073749301.db2.gz XFXBVULYGMNTIX-QHCPKHFHSA-N 2 2 411.615 3.933 20 0 HHADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000600327039 1073749302 /nfs/dbraw/zinc/74/93/02/1073749302.db2.gz XFXBVULYGMNTIX-QHCPKHFHSA-N 2 2 411.615 3.933 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432693 1074295157 /nfs/dbraw/zinc/29/51/57/1074295157.db2.gz LNGPRXSIVCNFRI-ICSRJNTNSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432693 1074295163 /nfs/dbraw/zinc/29/51/63/1074295163.db2.gz LNGPRXSIVCNFRI-ICSRJNTNSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@H]2CC[NH+](C)C2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000591432693 1074295167 /nfs/dbraw/zinc/29/51/67/1074295167.db2.gz LNGPRXSIVCNFRI-ICSRJNTNSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@H]2CC[NH+](C)C2)[N@H+]2CCc3sccc3C2)cc1 ZINC000591432693 1074295172 /nfs/dbraw/zinc/29/51/72/1074295172.db2.gz LNGPRXSIVCNFRI-ICSRJNTNSA-N 2 2 415.628 3.637 20 0 HHADLP C[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000591522415 1074364887 /nfs/dbraw/zinc/36/48/87/1074364887.db2.gz WJUOVDZANALABG-PMACEKPBSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000591522415 1074364890 /nfs/dbraw/zinc/36/48/90/1074364890.db2.gz WJUOVDZANALABG-PMACEKPBSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591524036 1074365404 /nfs/dbraw/zinc/36/54/04/1074365404.db2.gz QXZCNRMHMIDDSQ-OXJNMPFZSA-N 2 2 402.564 3.566 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591524035 1074365469 /nfs/dbraw/zinc/36/54/69/1074365469.db2.gz QXZCNRMHMIDDSQ-JXFKEZNVSA-N 2 2 402.564 3.566 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591523624 1074365487 /nfs/dbraw/zinc/36/54/87/1074365487.db2.gz IQMPLKMCDSVUQM-JTSKRJEESA-N 2 2 414.525 3.643 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000591590950 1074432622 /nfs/dbraw/zinc/43/26/22/1074432622.db2.gz LYUAGNDAKGOGML-UHFFFAOYSA-N 2 2 414.638 3.946 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000591590950 1074432624 /nfs/dbraw/zinc/43/26/24/1074432624.db2.gz LYUAGNDAKGOGML-UHFFFAOYSA-N 2 2 414.638 3.946 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000594245813 1075271024 /nfs/dbraw/zinc/27/10/24/1075271024.db2.gz TXGCPVUWLBNOTC-RZUBCFFCSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000594245813 1075271026 /nfs/dbraw/zinc/27/10/26/1075271026.db2.gz TXGCPVUWLBNOTC-RZUBCFFCSA-N 2 2 414.594 3.778 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594292008 1075278598 /nfs/dbraw/zinc/27/85/98/1075278598.db2.gz ZVJPFAIQJGOSII-FXAWDEMLSA-N 2 2 422.976 3.886 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000596377976 1075557891 /nfs/dbraw/zinc/55/78/91/1075557891.db2.gz JEPVTHXZGJXIHY-UHFFFAOYSA-N 2 2 424.549 3.520 20 0 HHADLP CN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472698 1075618197 /nfs/dbraw/zinc/61/81/97/1075618197.db2.gz OZDXUIUSBVZDCX-JOCHJYFZSA-N 2 2 415.622 3.770 20 0 HHADLP CN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472698 1075618198 /nfs/dbraw/zinc/61/81/98/1075618198.db2.gz OZDXUIUSBVZDCX-JOCHJYFZSA-N 2 2 415.622 3.770 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473782 1075618854 /nfs/dbraw/zinc/61/88/54/1075618854.db2.gz IKYXWERWYHQEQZ-HXUWFJFHSA-N 2 2 409.599 3.754 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473782 1075618856 /nfs/dbraw/zinc/61/88/56/1075618856.db2.gz IKYXWERWYHQEQZ-HXUWFJFHSA-N 2 2 409.599 3.754 20 0 HHADLP CN(C(=O)C1(c2ccc(F)cc2)CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477130 1075619786 /nfs/dbraw/zinc/61/97/86/1075619786.db2.gz CFRDPXTZUHICEH-QFIPXVFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)C1(c2ccc(F)cc2)CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477130 1075619787 /nfs/dbraw/zinc/61/97/87/1075619787.db2.gz CFRDPXTZUHICEH-QFIPXVFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478623 1075621514 /nfs/dbraw/zinc/62/15/14/1075621514.db2.gz QMXPGJMRQPZEAL-SFHVURJKSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478623 1075621517 /nfs/dbraw/zinc/62/15/17/1075621517.db2.gz QMXPGJMRQPZEAL-SFHVURJKSA-N 2 2 418.994 3.704 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCCC4)c(C)c[nH+]2)CC3)cs1 ZINC001164694063 719803453 /nfs/dbraw/zinc/80/34/53/719803453.db2.gz WZEMHOHMEHKBGB-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCCC4)c(C)c[nH+]2)CC3)cs1 ZINC001164694063 719803454 /nfs/dbraw/zinc/80/34/54/719803454.db2.gz WZEMHOHMEHKBGB-UHFFFAOYSA-N 2 2 412.607 3.785 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839934 720688695 /nfs/dbraw/zinc/68/86/95/720688695.db2.gz CWTUOURQZKCCPZ-OAQYLSRUSA-N 2 2 423.557 3.745 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839934 720688707 /nfs/dbraw/zinc/68/87/07/720688707.db2.gz CWTUOURQZKCCPZ-OAQYLSRUSA-N 2 2 423.557 3.745 20 0 HHADLP COc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1NC(C)C ZINC001164791701 721489299 /nfs/dbraw/zinc/48/92/99/721489299.db2.gz DVAVUCZUTCIIAB-UHFFFAOYSA-N 2 2 410.566 3.582 20 0 HHADLP COc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1NC(C)C ZINC001164791701 721489301 /nfs/dbraw/zinc/48/93/01/721489301.db2.gz DVAVUCZUTCIIAB-UHFFFAOYSA-N 2 2 410.566 3.582 20 0 HHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@@H]4CC[NH+]4CCCC4)c3C2)cc1 ZINC001165048302 721966811 /nfs/dbraw/zinc/96/68/11/721966811.db2.gz YIBPTWODEOBPII-JOCHJYFZSA-N 2 2 405.590 3.880 20 0 HHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@@H]4CC[NH+]4CCCC4)c3C2)cc1 ZINC001165048302 721966813 /nfs/dbraw/zinc/96/68/13/721966813.db2.gz YIBPTWODEOBPII-JOCHJYFZSA-N 2 2 405.590 3.880 20 0 HHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165047830 721978210 /nfs/dbraw/zinc/97/82/10/721978210.db2.gz AOTYOOHCJRVALL-NRFANRHFSA-N 2 2 409.578 3.966 20 0 HHADLP CCOC(=O)c1c(C)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]c1C ZINC001164955475 722018630 /nfs/dbraw/zinc/01/86/30/722018630.db2.gz IOBJIWMQABVUQH-UHFFFAOYSA-N 2 2 408.546 3.763 20 0 HHADLP CCOC(=O)c1c(C)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]c1C ZINC001164955475 722018633 /nfs/dbraw/zinc/01/86/33/722018633.db2.gz IOBJIWMQABVUQH-UHFFFAOYSA-N 2 2 408.546 3.763 20 0 HHADLP CC(C)(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542115470 1013049042 /nfs/dbraw/zinc/04/90/42/1013049042.db2.gz JDZOHXJEHGCVGS-UHFFFAOYSA-N 2 2 423.605 3.922 20 0 HHADLP CC(C)(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542115470 1013049059 /nfs/dbraw/zinc/04/90/59/1013049059.db2.gz JDZOHXJEHGCVGS-UHFFFAOYSA-N 2 2 423.605 3.922 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3cccc(C[NH+]4CCCCCC4)c3)[nH+]cn2)C1 ZINC000301224249 970818739 /nfs/dbraw/zinc/81/87/39/970818739.db2.gz CKXILBUUFPONEK-QFIPXVFZSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3cccc(C[NH+]4CCCCCC4)c3)nc[nH+]2)C1 ZINC000301224249 970818747 /nfs/dbraw/zinc/81/87/47/970818747.db2.gz CKXILBUUFPONEK-QFIPXVFZSA-N 2 2 409.578 3.673 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301221264 970816097 /nfs/dbraw/zinc/81/60/97/970816097.db2.gz AGNCQGTUHNIYKB-HBMCJLEFSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301221264 970816104 /nfs/dbraw/zinc/81/61/04/970816104.db2.gz AGNCQGTUHNIYKB-HBMCJLEFSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301221264 970816115 /nfs/dbraw/zinc/81/61/15/970816115.db2.gz AGNCQGTUHNIYKB-HBMCJLEFSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301221264 970816126 /nfs/dbraw/zinc/81/61/26/970816126.db2.gz AGNCQGTUHNIYKB-HBMCJLEFSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301239124 970826058 /nfs/dbraw/zinc/82/60/58/970826058.db2.gz LTIIOXGANQBPJF-WOJBJXKFSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301239124 970826074 /nfs/dbraw/zinc/82/60/74/970826074.db2.gz LTIIOXGANQBPJF-WOJBJXKFSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301239124 970826084 /nfs/dbraw/zinc/82/60/84/970826084.db2.gz LTIIOXGANQBPJF-WOJBJXKFSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301239124 970826091 /nfs/dbraw/zinc/82/60/91/970826091.db2.gz LTIIOXGANQBPJF-WOJBJXKFSA-N 2 2 409.578 3.529 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000542135009 1013065979 /nfs/dbraw/zinc/06/59/79/1013065979.db2.gz OUWIUQPXJCFOJJ-LJQANCHMSA-N 2 2 411.550 3.729 20 0 HHADLP Cc1cccc(-c2cccc(CNC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000303243441 971576961 /nfs/dbraw/zinc/57/69/61/971576961.db2.gz LAKKDZLTZNKKJC-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP Cc1cccc(-c2cccc(CNC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000303243441 971576966 /nfs/dbraw/zinc/57/69/66/971576966.db2.gz LAKKDZLTZNKKJC-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000303263714 971587090 /nfs/dbraw/zinc/58/70/90/971587090.db2.gz IFPBIVRDFHLIDV-IBGZPJMESA-N 2 2 417.557 3.880 20 0 HHADLP C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000303263714 971587098 /nfs/dbraw/zinc/58/70/98/971587098.db2.gz IFPBIVRDFHLIDV-IBGZPJMESA-N 2 2 417.557 3.880 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447135 971742367 /nfs/dbraw/zinc/74/23/67/971742367.db2.gz ITMGROYHXSZURA-NBGIEHNGSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447135 971742378 /nfs/dbraw/zinc/74/23/78/971742378.db2.gz ITMGROYHXSZURA-NBGIEHNGSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610076 971897474 /nfs/dbraw/zinc/89/74/74/971897474.db2.gz LFSYYHIEVXUBHM-TZIWHRDSSA-N 2 2 419.585 3.625 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610076 971897478 /nfs/dbraw/zinc/89/74/78/971897478.db2.gz LFSYYHIEVXUBHM-TZIWHRDSSA-N 2 2 419.585 3.625 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537627312 1013177955 /nfs/dbraw/zinc/17/79/55/1013177955.db2.gz SDSBSWCVOMGULD-HSZRJFAPSA-N 2 2 421.585 3.642 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537627312 1013177963 /nfs/dbraw/zinc/17/79/63/1013177963.db2.gz SDSBSWCVOMGULD-HSZRJFAPSA-N 2 2 421.585 3.642 20 0 HHADLP C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537627312 1013177967 /nfs/dbraw/zinc/17/79/67/1013177967.db2.gz SDSBSWCVOMGULD-HSZRJFAPSA-N 2 2 421.585 3.642 20 0 HHADLP C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537627312 1013177973 /nfs/dbraw/zinc/17/79/73/1013177973.db2.gz SDSBSWCVOMGULD-HSZRJFAPSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+](C)C ZINC000542335926 1013294175 /nfs/dbraw/zinc/29/41/75/1013294175.db2.gz KUHIBGCBQFQBJP-KNQAVFIVSA-N 2 2 424.589 3.921 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000537761066 1013324142 /nfs/dbraw/zinc/32/41/42/1013324142.db2.gz VZPFRMQHGAQACK-KOSHJBKYSA-N 2 2 418.541 3.556 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000542409453 1013362370 /nfs/dbraw/zinc/36/23/70/1013362370.db2.gz VEJUCPASUDXWLW-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553460354 1013373049 /nfs/dbraw/zinc/37/30/49/1013373049.db2.gz ZWZQTZBYPRJEKO-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000553460354 1013373060 /nfs/dbraw/zinc/37/30/60/1013373060.db2.gz ZWZQTZBYPRJEKO-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000017313877 963184865 /nfs/dbraw/zinc/18/48/65/963184865.db2.gz RNWBCBRUAVYAKG-UHFFFAOYSA-N 2 2 406.162 3.794 20 0 HHADLP CCc1ccc([C@H]2CCCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000553534705 1013432243 /nfs/dbraw/zinc/43/22/43/1013432243.db2.gz ZWQXLBKIWJDKFW-QFIPXVFZSA-N 2 2 412.622 3.697 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(F)c4)CCCCC3)CC2)CC1 ZINC000050796972 964398644 /nfs/dbraw/zinc/39/86/44/964398644.db2.gz NVVZXEONDPTROO-UHFFFAOYSA-N 2 2 401.570 3.702 20 0 HHADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000050797007 964398975 /nfs/dbraw/zinc/39/89/75/964398975.db2.gz AJDXCNJZWPCWNM-INIZCTEOSA-N 2 2 411.512 3.874 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)CC1 ZINC000050798499 964399939 /nfs/dbraw/zinc/39/99/39/964399939.db2.gz AXHIGLBNCQWPLC-UHFFFAOYSA-N 2 2 409.361 3.763 20 0 HHADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051243516 964505212 /nfs/dbraw/zinc/50/52/12/964505212.db2.gz STEIVXMPCKPKHY-NRFANRHFSA-N 2 2 407.002 3.895 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1cccc(OC)c1 ZINC000051334863 964537567 /nfs/dbraw/zinc/53/75/67/964537567.db2.gz OMLWKZZIPNJFMD-NRFANRHFSA-N 2 2 414.550 3.598 20 0 HHADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000537918370 1013503591 /nfs/dbraw/zinc/50/35/91/1013503591.db2.gz OGMQIDPCHDEFBT-QFIPXVFZSA-N 2 2 407.602 3.593 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(C)(C)c4c3cccc4Cl)CC2)CC1 ZINC000051761144 964690038 /nfs/dbraw/zinc/69/00/38/964690038.db2.gz FGNLMZCEPFVPGU-UHFFFAOYSA-N 2 2 404.986 3.706 20 0 HHADLP CCCC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000537976044 1013551780 /nfs/dbraw/zinc/55/17/80/1013551780.db2.gz JRVRGFBMEYGFSW-FGZHOGPDSA-N 2 2 409.578 3.803 20 0 HHADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000537978491 1013554875 /nfs/dbraw/zinc/55/48/75/1013554875.db2.gz WOUDDQIBVSSRRQ-SIKLNZKXSA-N 2 2 409.578 3.585 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057154672 965315320 /nfs/dbraw/zinc/31/53/20/965315320.db2.gz DETGECVJJGAUPI-UHFFFAOYSA-N 2 2 402.542 3.502 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)C1 ZINC000057783313 965545171 /nfs/dbraw/zinc/54/51/71/965545171.db2.gz UKHOUGSEQWJSNE-HXUWFJFHSA-N 2 2 421.589 3.913 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)C1 ZINC000057783313 965545181 /nfs/dbraw/zinc/54/51/81/965545181.db2.gz UKHOUGSEQWJSNE-HXUWFJFHSA-N 2 2 421.589 3.913 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000542665339 1013590720 /nfs/dbraw/zinc/59/07/20/1013590720.db2.gz JEEGHIBECJNJKG-TUNNFDKTSA-N 2 2 400.588 3.657 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000542665339 1013590732 /nfs/dbraw/zinc/59/07/32/1013590732.db2.gz JEEGHIBECJNJKG-TUNNFDKTSA-N 2 2 400.588 3.657 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000060530915 966192723 /nfs/dbraw/zinc/19/27/23/966192723.db2.gz AZDFLOXIFJGENL-LJQANCHMSA-N 2 2 400.523 3.669 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000061071408 966364830 /nfs/dbraw/zinc/36/48/30/966364830.db2.gz TXAIPZFCYHSFMT-QZTJIDSGSA-N 2 2 422.932 3.811 20 0 HHADLP S=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149071 966761788 /nfs/dbraw/zinc/76/17/88/966761788.db2.gz IRLCGZGEXPMQHH-UHFFFAOYSA-N 2 2 419.598 3.560 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)n2)C1 ZINC000043546575 966995072 /nfs/dbraw/zinc/99/50/72/966995072.db2.gz PXTDZOGTNFJNNZ-SFHVURJKSA-N 2 2 415.607 3.971 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)n2)C1 ZINC000043546575 966995077 /nfs/dbraw/zinc/99/50/77/966995077.db2.gz PXTDZOGTNFJNNZ-SFHVURJKSA-N 2 2 415.607 3.971 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC(C)CC3)c2C1 ZINC000542821711 1013693231 /nfs/dbraw/zinc/69/32/31/1013693231.db2.gz RJRPIMLFVSYKQR-UHFFFAOYSA-N 2 2 408.590 3.855 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC(C)CC3)c2C1 ZINC000542821711 1013693235 /nfs/dbraw/zinc/69/32/35/1013693235.db2.gz RJRPIMLFVSYKQR-UHFFFAOYSA-N 2 2 408.590 3.855 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533108 967231581 /nfs/dbraw/zinc/23/15/81/967231581.db2.gz VHLNKRSGLAFUDC-LLVKDONJSA-N 2 2 406.162 3.652 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533108 967231589 /nfs/dbraw/zinc/23/15/89/967231589.db2.gz VHLNKRSGLAFUDC-LLVKDONJSA-N 2 2 406.162 3.652 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000065227647 967413787 /nfs/dbraw/zinc/41/37/87/967413787.db2.gz XQCUMIJBTVHIAD-UHFFFAOYSA-N 2 2 419.529 3.561 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000045486807 967474583 /nfs/dbraw/zinc/47/45/83/967474583.db2.gz FHHSGZWIDDLUTR-OAQYLSRUSA-N 2 2 413.566 3.533 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000045756462 967547829 /nfs/dbraw/zinc/54/78/29/967547829.db2.gz NCOKIZVIAXGQPD-UHFFFAOYSA-N 2 2 417.557 3.704 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045976275 967614325 /nfs/dbraw/zinc/61/43/25/967614325.db2.gz BKGNUPHOBWNUSH-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000554050937 1013774041 /nfs/dbraw/zinc/77/40/41/1013774041.db2.gz XWJSHWPCNPRHRH-KNQAVFIVSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000554050937 1013774047 /nfs/dbraw/zinc/77/40/47/1013774047.db2.gz XWJSHWPCNPRHRH-KNQAVFIVSA-N 2 2 414.594 3.778 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000048084050 968414961 /nfs/dbraw/zinc/41/49/61/968414961.db2.gz YJOGQQJYWZQQHR-PMACEKPBSA-N 2 2 416.610 3.880 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000048084050 968414963 /nfs/dbraw/zinc/41/49/63/968414963.db2.gz YJOGQQJYWZQQHR-PMACEKPBSA-N 2 2 416.610 3.880 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048217409 968488983 /nfs/dbraw/zinc/48/89/83/968488983.db2.gz VKAPBBOYHCZLCP-UHFFFAOYSA-N 2 2 417.557 3.917 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000071923032 968890021 /nfs/dbraw/zinc/89/00/21/968890021.db2.gz LGRZTECCJBTYOV-QKLQHJQFSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000071923032 968890033 /nfs/dbraw/zinc/89/00/33/968890033.db2.gz LGRZTECCJBTYOV-QKLQHJQFSA-N 2 2 416.591 3.782 20 0 HHADLP Clc1ccccc1-c1ccc(C[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)s1 ZINC000072024482 968938894 /nfs/dbraw/zinc/93/88/94/968938894.db2.gz LOUFCJKPIRWBNR-UHFFFAOYSA-N 2 2 420.022 3.908 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000072051998 968960501 /nfs/dbraw/zinc/96/05/01/968960501.db2.gz YBXAHGRJSNAZCD-LEWJYISDSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000072051998 968960523 /nfs/dbraw/zinc/96/05/23/968960523.db2.gz YBXAHGRJSNAZCD-LEWJYISDSA-N 2 2 410.606 3.659 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000538322292 1013848632 /nfs/dbraw/zinc/84/86/32/1013848632.db2.gz QNKUZVJLJOQYPQ-QHCPKHFHSA-N 2 2 409.574 3.803 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000107834611 969338425 /nfs/dbraw/zinc/33/84/25/969338425.db2.gz GQFRXGFAEUTZOK-NRFANRHFSA-N 2 2 400.592 3.658 20 0 HHADLP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccn1 ZINC000117403752 969950707 /nfs/dbraw/zinc/95/07/07/969950707.db2.gz KCCCRRMDDIJVRF-JOCHJYFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccn1 ZINC000117403752 969950711 /nfs/dbraw/zinc/95/07/11/969950711.db2.gz KCCCRRMDDIJVRF-JOCHJYFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC(C)CCOc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000215998868 970059589 /nfs/dbraw/zinc/05/95/89/970059589.db2.gz FTEVDPJILCWFHE-UHFFFAOYSA-N 2 2 402.583 3.792 20 0 HHADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OCC(F)(F)F ZINC000237268896 970251803 /nfs/dbraw/zinc/25/18/03/970251803.db2.gz YCNPQQDEJUSRKW-UHFFFAOYSA-N 2 2 406.408 3.815 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000195617514 970560340 /nfs/dbraw/zinc/56/03/40/970560340.db2.gz LGRZTECCJBTYOV-FUHIMQAGSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000195617514 970560353 /nfs/dbraw/zinc/56/03/53/970560353.db2.gz LGRZTECCJBTYOV-FUHIMQAGSA-N 2 2 416.591 3.782 20 0 HHADLP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000255954315 970606360 /nfs/dbraw/zinc/60/63/60/970606360.db2.gz FPBDQFKXNCBFCL-FCHUYYIVSA-N 2 2 414.981 3.769 20 0 HHADLP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000255954315 970606367 /nfs/dbraw/zinc/60/63/67/970606367.db2.gz FPBDQFKXNCBFCL-FCHUYYIVSA-N 2 2 414.981 3.769 20 0 HHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)[nH+]c12 ZINC000261391137 970645787 /nfs/dbraw/zinc/64/57/87/970645787.db2.gz RKJWAXDNCJSVCC-KDURUIRLSA-N 2 2 404.558 3.980 20 0 HHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)[nH+]c12 ZINC000261391137 970645791 /nfs/dbraw/zinc/64/57/91/970645791.db2.gz RKJWAXDNCJSVCC-KDURUIRLSA-N 2 2 404.558 3.980 20 0 HHADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000310976810 972625235 /nfs/dbraw/zinc/62/52/35/972625235.db2.gz DISVRHUJRYELMM-GOSISDBHSA-N 2 2 405.384 3.883 20 0 HHADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000310976810 972625245 /nfs/dbraw/zinc/62/52/45/972625245.db2.gz DISVRHUJRYELMM-GOSISDBHSA-N 2 2 405.384 3.883 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390666139 972827745 /nfs/dbraw/zinc/82/77/45/972827745.db2.gz MVQQJLQZJAMJDO-BHDDXSALSA-N 2 2 417.594 3.561 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390666139 972827754 /nfs/dbraw/zinc/82/77/54/972827754.db2.gz MVQQJLQZJAMJDO-BHDDXSALSA-N 2 2 417.594 3.561 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959162 972872917 /nfs/dbraw/zinc/87/29/17/972872917.db2.gz CYOSFOBWZKSBRT-OXQOHEQNSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959162 972872927 /nfs/dbraw/zinc/87/29/27/972872927.db2.gz CYOSFOBWZKSBRT-OXQOHEQNSA-N 2 2 416.363 3.888 20 0 HHADLP CC(C)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000409503883 972955593 /nfs/dbraw/zinc/95/55/93/972955593.db2.gz TZLXQIZQIRCBBY-UHFFFAOYSA-N 2 2 421.520 3.648 20 0 HHADLP CC(C)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000409503883 972955604 /nfs/dbraw/zinc/95/56/04/972955604.db2.gz TZLXQIZQIRCBBY-UHFFFAOYSA-N 2 2 421.520 3.648 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752473 973228823 /nfs/dbraw/zinc/22/88/23/973228823.db2.gz IRRRYAKGHYDIDK-UNWVZKJWSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752473 973228828 /nfs/dbraw/zinc/22/88/28/973228828.db2.gz IRRRYAKGHYDIDK-UNWVZKJWSA-N 2 2 421.589 3.629 20 0 HHADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279943 973801210 /nfs/dbraw/zinc/80/12/10/973801210.db2.gz SVJOZMHRCBKUCG-SIKLNZKXSA-N 2 2 410.537 3.729 20 0 HHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279943 973801220 /nfs/dbraw/zinc/80/12/20/973801220.db2.gz SVJOZMHRCBKUCG-SIKLNZKXSA-N 2 2 410.537 3.729 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000410316390 973861562 /nfs/dbraw/zinc/86/15/62/973861562.db2.gz GECZPZQTMDAKPQ-UHFFFAOYSA-N 2 2 406.574 3.990 20 0 HHADLP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425928513 974038590 /nfs/dbraw/zinc/03/85/90/974038590.db2.gz VWWZSUJQUYIOIB-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425928513 974038602 /nfs/dbraw/zinc/03/86/02/974038602.db2.gz VWWZSUJQUYIOIB-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425928513 974038615 /nfs/dbraw/zinc/03/86/15/974038615.db2.gz VWWZSUJQUYIOIB-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425928513 974038628 /nfs/dbraw/zinc/03/86/28/974038628.db2.gz VWWZSUJQUYIOIB-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941982 974050719 /nfs/dbraw/zinc/05/07/19/974050719.db2.gz LCGCVWHUHBUYMG-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941982 974050734 /nfs/dbraw/zinc/05/07/34/974050734.db2.gz LCGCVWHUHBUYMG-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941982 974050744 /nfs/dbraw/zinc/05/07/44/974050744.db2.gz LCGCVWHUHBUYMG-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941982 974050754 /nfs/dbraw/zinc/05/07/54/974050754.db2.gz LCGCVWHUHBUYMG-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP COc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066731 /nfs/dbraw/zinc/06/67/31/974066731.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066740 /nfs/dbraw/zinc/06/67/40/974066740.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066750 /nfs/dbraw/zinc/06/67/50/974066750.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 2 419.363 3.527 20 0 HHADLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000425963046 974066759 /nfs/dbraw/zinc/06/67/59/974066759.db2.gz BAMYENBWWVRYKO-OAQYLSRUSA-N 2 2 419.363 3.527 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccsc1 ZINC000426033941 974156186 /nfs/dbraw/zinc/15/61/86/974156186.db2.gz GQMLUTRBBBLGMK-NJYVYQBISA-N 2 2 409.559 3.775 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000426053978 974176290 /nfs/dbraw/zinc/17/62/90/974176290.db2.gz FFEFUXVRLUYAOF-DHIUTWEWSA-N 2 2 409.578 3.923 20 0 HHADLP Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)cc1 ZINC000426060029 974181786 /nfs/dbraw/zinc/18/17/86/974181786.db2.gz JJESODFLXRVCCE-GGAORHGYSA-N 2 2 412.622 3.833 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426164734 974276825 /nfs/dbraw/zinc/27/68/25/974276825.db2.gz VSQHWNYICJGVOV-UHFFFAOYSA-N 2 2 423.561 3.868 20 0 HHADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426771044 974648024 /nfs/dbraw/zinc/64/80/24/974648024.db2.gz YLSYHPNXJHDNHZ-ROUUACIJSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426805245 974673473 /nfs/dbraw/zinc/67/34/73/974673473.db2.gz ZRBOCHMEAKGSKR-CALCHBBNSA-N 2 2 424.545 3.793 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426805245 974673476 /nfs/dbraw/zinc/67/34/76/974673476.db2.gz ZRBOCHMEAKGSKR-CALCHBBNSA-N 2 2 424.545 3.793 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426810551 974677190 /nfs/dbraw/zinc/67/71/90/974677190.db2.gz ITGHRXSJYHTZMU-PMACEKPBSA-N 2 2 412.578 3.566 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428426637 975742482 /nfs/dbraw/zinc/74/24/82/975742482.db2.gz YICKUIRRMXRWCU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428426637 975742488 /nfs/dbraw/zinc/74/24/88/975742488.db2.gz YICKUIRRMXRWCU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428426637 975742495 /nfs/dbraw/zinc/74/24/95/975742495.db2.gz YICKUIRRMXRWCU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428426637 975742497 /nfs/dbraw/zinc/74/24/97/975742497.db2.gz YICKUIRRMXRWCU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc2)CC1 ZINC000428481371 975779501 /nfs/dbraw/zinc/77/95/01/975779501.db2.gz MUIXUCZVUJZKEC-QFIPXVFZSA-N 2 2 409.578 3.834 20 0 HHADLP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428480822 975780129 /nfs/dbraw/zinc/78/01/29/975780129.db2.gz JCMMLPSQGUSBEV-MRXNPFEDSA-N 2 2 416.572 3.667 20 0 HHADLP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428480822 975780137 /nfs/dbraw/zinc/78/01/37/975780137.db2.gz JCMMLPSQGUSBEV-MRXNPFEDSA-N 2 2 416.572 3.667 20 0 HHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428537201 975835021 /nfs/dbraw/zinc/83/50/21/975835021.db2.gz KZONYKDKVJPPBB-LJQANCHMSA-N 2 2 406.473 3.677 20 0 HHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428537201 975835030 /nfs/dbraw/zinc/83/50/30/975835030.db2.gz KZONYKDKVJPPBB-LJQANCHMSA-N 2 2 406.473 3.677 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000428754503 976027784 /nfs/dbraw/zinc/02/77/84/976027784.db2.gz RLONIFCBQUAHGB-HXUWFJFHSA-N 2 2 415.969 3.851 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428783738 976058583 /nfs/dbraw/zinc/05/85/83/976058583.db2.gz KCGAGBTYURPJFS-RTBURBONSA-N 2 2 409.578 3.517 20 0 HHADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000428863697 976152628 /nfs/dbraw/zinc/15/26/28/976152628.db2.gz RCLHRPAHSWTOAM-LJQANCHMSA-N 2 2 422.976 3.617 20 0 HHADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000428863697 976152634 /nfs/dbraw/zinc/15/26/34/976152634.db2.gz RCLHRPAHSWTOAM-LJQANCHMSA-N 2 2 422.976 3.617 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428965069 976253911 /nfs/dbraw/zinc/25/39/11/976253911.db2.gz HLJVFWSYSFMRRJ-UNMCSNQZSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428965069 976253921 /nfs/dbraw/zinc/25/39/21/976253921.db2.gz HLJVFWSYSFMRRJ-UNMCSNQZSA-N 2 2 411.594 3.778 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000429043004 976328251 /nfs/dbraw/zinc/32/82/51/976328251.db2.gz RNAOCNLTLMVXCH-UGKGYDQZSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000429043004 976328260 /nfs/dbraw/zinc/32/82/60/976328260.db2.gz RNAOCNLTLMVXCH-UGKGYDQZSA-N 2 2 403.530 3.725 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000429233302 976525116 /nfs/dbraw/zinc/52/51/16/976525116.db2.gz DFUOUSXTYFWABJ-UHFFFAOYSA-N 2 2 403.577 3.981 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000429233302 976525128 /nfs/dbraw/zinc/52/51/28/976525128.db2.gz DFUOUSXTYFWABJ-UHFFFAOYSA-N 2 2 403.577 3.981 20 0 HHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451909 976727750 /nfs/dbraw/zinc/72/77/50/976727750.db2.gz MWGZJODPDVXNDN-JTHBVZDNSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451909 976727757 /nfs/dbraw/zinc/72/77/57/976727757.db2.gz MWGZJODPDVXNDN-JTHBVZDNSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451896 976727994 /nfs/dbraw/zinc/72/79/94/976727994.db2.gz MWGZJODPDVXNDN-FYYLOGMGSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451896 976727999 /nfs/dbraw/zinc/72/79/99/976727999.db2.gz MWGZJODPDVXNDN-FYYLOGMGSA-N 2 2 409.574 3.901 20 0 HHADLP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429682691 976977936 /nfs/dbraw/zinc/97/79/36/976977936.db2.gz OBPZMYUEOIIFEL-VWLOTQADSA-N 2 2 422.617 3.911 20 0 HHADLP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429682691 976977949 /nfs/dbraw/zinc/97/79/49/976977949.db2.gz OBPZMYUEOIIFEL-VWLOTQADSA-N 2 2 422.617 3.911 20 0 HHADLP CC[NH+](CC1CCN(c2ccccn2)CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429682691 976977963 /nfs/dbraw/zinc/97/79/63/976977963.db2.gz OBPZMYUEOIIFEL-VWLOTQADSA-N 2 2 422.617 3.911 20 0 HHADLP CC[NH+](CC1CCN(c2ccccn2)CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429682691 976977981 /nfs/dbraw/zinc/97/79/81/976977981.db2.gz OBPZMYUEOIIFEL-VWLOTQADSA-N 2 2 422.617 3.911 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797422 977075001 /nfs/dbraw/zinc/07/50/01/977075001.db2.gz BCQURCTZCAQRAG-WTIAFYNJSA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797422 977075011 /nfs/dbraw/zinc/07/50/11/977075011.db2.gz BCQURCTZCAQRAG-WTIAFYNJSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797422 977075020 /nfs/dbraw/zinc/07/50/20/977075020.db2.gz BCQURCTZCAQRAG-WTIAFYNJSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797422 977075031 /nfs/dbraw/zinc/07/50/31/977075031.db2.gz BCQURCTZCAQRAG-WTIAFYNJSA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000429809830 977084885 /nfs/dbraw/zinc/08/48/85/977084885.db2.gz ABZDUFRYHVKNCZ-ZHRMCQFGSA-N 2 2 411.615 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000429809830 977084898 /nfs/dbraw/zinc/08/48/98/977084898.db2.gz ABZDUFRYHVKNCZ-ZHRMCQFGSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000429809830 977084911 /nfs/dbraw/zinc/08/49/11/977084911.db2.gz ABZDUFRYHVKNCZ-ZHRMCQFGSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000429809830 977084918 /nfs/dbraw/zinc/08/49/18/977084918.db2.gz ABZDUFRYHVKNCZ-ZHRMCQFGSA-N 2 2 411.615 3.884 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430270856 977436026 /nfs/dbraw/zinc/43/60/26/977436026.db2.gz WGRMKOYDBMUQNS-MRXNPFEDSA-N 2 2 424.376 3.668 20 0 HHADLP O=C(C[N@@H+]1CCSC2(CCCCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430761246 977737628 /nfs/dbraw/zinc/73/76/28/977737628.db2.gz UPULYDIYIBLHIV-UHFFFAOYSA-N 2 2 419.660 3.926 20 0 HHADLP O=C(C[N@H+]1CCSC2(CCCCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430761246 977737631 /nfs/dbraw/zinc/73/76/31/977737631.db2.gz UPULYDIYIBLHIV-UHFFFAOYSA-N 2 2 419.660 3.926 20 0 HHADLP Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000430823627 977778521 /nfs/dbraw/zinc/77/85/21/977778521.db2.gz UDOFHYHPGKHPQD-DQEYMECFSA-N 2 2 405.542 3.996 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430845227 977796971 /nfs/dbraw/zinc/79/69/71/977796971.db2.gz BPUAILFYAVDMTC-HXUWFJFHSA-N 2 2 415.969 3.765 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430845227 977796979 /nfs/dbraw/zinc/79/69/79/977796979.db2.gz BPUAILFYAVDMTC-HXUWFJFHSA-N 2 2 415.969 3.765 20 0 HHADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430916922 977884569 /nfs/dbraw/zinc/88/45/69/977884569.db2.gz XDSIIAKKNDAIQC-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430916922 977884582 /nfs/dbraw/zinc/88/45/82/977884582.db2.gz XDSIIAKKNDAIQC-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000430947261 977907983 /nfs/dbraw/zinc/90/79/83/977907983.db2.gz AGQYGEKJOQIOCZ-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000430947261 977907991 /nfs/dbraw/zinc/90/79/91/977907991.db2.gz AGQYGEKJOQIOCZ-IBGZPJMESA-N 3 2 418.601 3.589 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)[NH+](CC)CC)cc1 ZINC000431825535 978539570 /nfs/dbraw/zinc/53/95/70/978539570.db2.gz XHHXRNHRJAYLNV-QFIPXVFZSA-N 2 2 411.594 3.707 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000431849500 978551053 /nfs/dbraw/zinc/55/10/53/978551053.db2.gz DUEUNQUAWZPZJO-HSZRJFAPSA-N 2 2 423.605 3.995 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCO1 ZINC000432371455 978782922 /nfs/dbraw/zinc/78/29/22/978782922.db2.gz ZAQLOBFAPQQDNN-QGZVFWFLSA-N 2 2 410.484 3.541 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCO1 ZINC000432371455 978782924 /nfs/dbraw/zinc/78/29/24/978782924.db2.gz ZAQLOBFAPQQDNN-QGZVFWFLSA-N 2 2 410.484 3.541 20 0 HHADLP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432785806 978973909 /nfs/dbraw/zinc/97/39/09/978973909.db2.gz NAMKYOHPTAEDOS-DNQXCXABSA-N 3 2 416.654 3.527 20 0 HHADLP COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000432785806 978973912 /nfs/dbraw/zinc/97/39/12/978973912.db2.gz NAMKYOHPTAEDOS-DNQXCXABSA-N 3 2 416.654 3.527 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177263 979121154 /nfs/dbraw/zinc/12/11/54/979121154.db2.gz DGQFXGCSDKMGHE-WBYKHBECSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177263 979121159 /nfs/dbraw/zinc/12/11/59/979121159.db2.gz DGQFXGCSDKMGHE-WBYKHBECSA-N 2 2 414.590 3.694 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433401632 979278046 /nfs/dbraw/zinc/27/80/46/979278046.db2.gz SYDBJLZVAKPEQE-NRSPTQNISA-N 2 2 408.558 3.517 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619656 979431032 /nfs/dbraw/zinc/43/10/32/979431032.db2.gz XIRGBWWMBJJXGA-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619656 979431037 /nfs/dbraw/zinc/43/10/37/979431037.db2.gz XIRGBWWMBJJXGA-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619656 979431042 /nfs/dbraw/zinc/43/10/42/979431042.db2.gz XIRGBWWMBJJXGA-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619656 979431047 /nfs/dbraw/zinc/43/10/47/979431047.db2.gz XIRGBWWMBJJXGA-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433762782 979557427 /nfs/dbraw/zinc/55/74/27/979557427.db2.gz AVWGCWKAOBCEQK-CEMLEFRQSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433762782 979557434 /nfs/dbraw/zinc/55/74/34/979557434.db2.gz AVWGCWKAOBCEQK-CEMLEFRQSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433762782 979557437 /nfs/dbraw/zinc/55/74/37/979557437.db2.gz AVWGCWKAOBCEQK-CEMLEFRQSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433762782 979557441 /nfs/dbraw/zinc/55/74/41/979557441.db2.gz AVWGCWKAOBCEQK-CEMLEFRQSA-N 2 2 409.578 3.540 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903223 979664807 /nfs/dbraw/zinc/66/48/07/979664807.db2.gz GURGNFMQEXVFNY-LSTHTHJFSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903223 979664812 /nfs/dbraw/zinc/66/48/12/979664812.db2.gz GURGNFMQEXVFNY-LSTHTHJFSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903223 979664816 /nfs/dbraw/zinc/66/48/16/979664816.db2.gz GURGNFMQEXVFNY-LSTHTHJFSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903223 979664821 /nfs/dbraw/zinc/66/48/21/979664821.db2.gz GURGNFMQEXVFNY-LSTHTHJFSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000433936879 979696197 /nfs/dbraw/zinc/69/61/97/979696197.db2.gz OCYLMIXFPFGILO-UHFFFAOYSA-N 2 2 401.599 3.763 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000433936879 979696200 /nfs/dbraw/zinc/69/62/00/979696200.db2.gz OCYLMIXFPFGILO-UHFFFAOYSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434183643 979948497 /nfs/dbraw/zinc/94/84/97/979948497.db2.gz OHFUDBFFCYGCDE-HXUWFJFHSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434183643 979948509 /nfs/dbraw/zinc/94/85/09/979948509.db2.gz OHFUDBFFCYGCDE-HXUWFJFHSA-N 2 2 401.599 3.763 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434188429 979953995 /nfs/dbraw/zinc/95/39/95/979953995.db2.gz HOUZDMSJAHEIPM-QFIPXVFZSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434188429 979953998 /nfs/dbraw/zinc/95/39/98/979953998.db2.gz HOUZDMSJAHEIPM-QFIPXVFZSA-N 2 2 421.589 3.773 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532192 980233257 /nfs/dbraw/zinc/23/32/57/980233257.db2.gz WJMSBDPDFWLKIR-YYWHXJBOSA-N 2 2 416.614 3.791 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532192 980233260 /nfs/dbraw/zinc/23/32/60/980233260.db2.gz WJMSBDPDFWLKIR-YYWHXJBOSA-N 2 2 416.614 3.791 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434685073 980338153 /nfs/dbraw/zinc/33/81/53/980338153.db2.gz MGGCBDWZTMCTJO-KNEUKCCGSA-N 2 2 410.606 3.872 20 0 HHADLP CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434686885 980339488 /nfs/dbraw/zinc/33/94/88/980339488.db2.gz BIIYKYWMAGVNAQ-UHFFFAOYSA-N 2 2 410.562 3.502 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434754512 980380518 /nfs/dbraw/zinc/38/05/18/980380518.db2.gz UCFINHPJIGRYFR-INIZCTEOSA-N 2 2 400.954 3.757 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000435798070 981035636 /nfs/dbraw/zinc/03/56/36/981035636.db2.gz MARADSOFXHVRER-GOTSBHOMSA-N 2 2 414.569 3.727 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000435798070 981035639 /nfs/dbraw/zinc/03/56/39/981035639.db2.gz MARADSOFXHVRER-GOTSBHOMSA-N 2 2 414.569 3.727 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000436337810 981309576 /nfs/dbraw/zinc/30/95/76/981309576.db2.gz WVODOKBMNNCUBC-FQEVSTJZSA-N 2 2 411.550 3.881 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000436337810 981309581 /nfs/dbraw/zinc/30/95/81/981309581.db2.gz WVODOKBMNNCUBC-FQEVSTJZSA-N 2 2 411.550 3.881 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000437068082 981740094 /nfs/dbraw/zinc/74/00/94/981740094.db2.gz GQUNNPPPSQXXST-YKSBVNFPSA-N 2 2 412.622 3.806 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525525 981853999 /nfs/dbraw/zinc/85/39/99/981853999.db2.gz RFMDIAZWBIOZAW-BSIFCXSSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525525 981854014 /nfs/dbraw/zinc/85/40/14/981854014.db2.gz RFMDIAZWBIOZAW-BSIFCXSSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525525 981854022 /nfs/dbraw/zinc/85/40/22/981854022.db2.gz RFMDIAZWBIOZAW-BSIFCXSSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525525 981854033 /nfs/dbraw/zinc/85/40/33/981854033.db2.gz RFMDIAZWBIOZAW-BSIFCXSSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000460100232 981875914 /nfs/dbraw/zinc/87/59/14/981875914.db2.gz AXECFELGNLHFCC-SFHVURJKSA-N 2 2 409.456 3.510 20 0 HHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000460389581 982169168 /nfs/dbraw/zinc/16/91/68/982169168.db2.gz TWDSYWGHUXQCNT-GASCZTMLSA-N 2 2 421.383 3.647 20 0 HHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000460389581 982169174 /nfs/dbraw/zinc/16/91/74/982169174.db2.gz TWDSYWGHUXQCNT-GASCZTMLSA-N 2 2 421.383 3.647 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557084 982189334 /nfs/dbraw/zinc/18/93/34/982189334.db2.gz JWHGLCUXBDKAIN-SJLPKXTDSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557084 982189336 /nfs/dbraw/zinc/18/93/36/982189336.db2.gz JWHGLCUXBDKAIN-SJLPKXTDSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)n2)C1 ZINC000437557084 982189339 /nfs/dbraw/zinc/18/93/39/982189339.db2.gz JWHGLCUXBDKAIN-SJLPKXTDSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)n2)C1 ZINC000437557084 982189342 /nfs/dbraw/zinc/18/93/42/982189342.db2.gz JWHGLCUXBDKAIN-SJLPKXTDSA-N 2 2 405.612 3.761 20 0 HHADLP C[NH+]1CCC(CNC(=O)CSCc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000460482242 982274641 /nfs/dbraw/zinc/27/46/41/982274641.db2.gz BIXDRYQTOSYHKL-UHFFFAOYSA-N 2 2 410.027 3.640 20 0 HHADLP COc1cccc(C2(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CCCC2)c1 ZINC000460485784 982277309 /nfs/dbraw/zinc/27/73/09/982277309.db2.gz BWXAATDXRGMDAN-UHFFFAOYSA-N 2 2 413.606 3.574 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000460503928 982292691 /nfs/dbraw/zinc/29/26/91/982292691.db2.gz NARWALKVFZVMEO-WOJBJXKFSA-N 2 2 423.523 3.875 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000437698315 982304336 /nfs/dbraw/zinc/30/43/36/982304336.db2.gz VYLVPQBAOBNXFF-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000437698315 982304342 /nfs/dbraw/zinc/30/43/42/982304342.db2.gz VYLVPQBAOBNXFF-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000437979850 982503298 /nfs/dbraw/zinc/50/32/98/982503298.db2.gz ZBAZNIIYLIFKCH-LJQANCHMSA-N 2 2 421.948 3.680 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000437979850 982503306 /nfs/dbraw/zinc/50/33/06/982503306.db2.gz ZBAZNIIYLIFKCH-LJQANCHMSA-N 2 2 421.948 3.680 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cnn(C)c1 ZINC000437980820 982503821 /nfs/dbraw/zinc/50/38/21/982503821.db2.gz VNTPKPKHHJBLBI-XUZZJYLKSA-N 2 2 424.568 3.709 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cnn(C)c1 ZINC000437980820 982503830 /nfs/dbraw/zinc/50/38/30/982503830.db2.gz VNTPKPKHHJBLBI-XUZZJYLKSA-N 2 2 424.568 3.709 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cnn(C)c1 ZINC000437980820 982503837 /nfs/dbraw/zinc/50/38/37/982503837.db2.gz VNTPKPKHHJBLBI-XUZZJYLKSA-N 2 2 424.568 3.709 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cnn(C)c1 ZINC000437980820 982503847 /nfs/dbraw/zinc/50/38/47/982503847.db2.gz VNTPKPKHHJBLBI-XUZZJYLKSA-N 2 2 424.568 3.709 20 0 HHADLP CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000438165068 982626731 /nfs/dbraw/zinc/62/67/31/982626731.db2.gz HHLAUWAFWVGGPQ-FGZHOGPDSA-N 2 2 422.658 3.610 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764643 983055507 /nfs/dbraw/zinc/05/55/07/983055507.db2.gz PKOXCACYTNRRAW-DHIUTWEWSA-N 2 2 410.562 3.504 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764643 983055515 /nfs/dbraw/zinc/05/55/15/983055515.db2.gz PKOXCACYTNRRAW-DHIUTWEWSA-N 2 2 410.562 3.504 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764646 983055640 /nfs/dbraw/zinc/05/56/40/983055640.db2.gz PKOXCACYTNRRAW-PKTZIBPZSA-N 2 2 410.562 3.504 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764646 983055646 /nfs/dbraw/zinc/05/56/46/983055646.db2.gz PKOXCACYTNRRAW-PKTZIBPZSA-N 2 2 410.562 3.504 20 0 HHADLP c1c2c(sc1-c1nnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o1)CCCC2 ZINC000461389443 983062960 /nfs/dbraw/zinc/06/29/60/983062960.db2.gz OVSRAXKYZQEYOY-UHFFFAOYSA-N 2 2 416.591 3.611 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439914 983103970 /nfs/dbraw/zinc/10/39/70/983103970.db2.gz VWNPBHRFSBWAGZ-ZEQRLZLVSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439914 983103974 /nfs/dbraw/zinc/10/39/74/983103974.db2.gz VWNPBHRFSBWAGZ-ZEQRLZLVSA-N 2 2 400.526 3.526 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439197956 983305754 /nfs/dbraw/zinc/30/57/54/983305754.db2.gz KQJPXFWWGXKPGS-QFIPXVFZSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439197956 983305759 /nfs/dbraw/zinc/30/57/59/983305759.db2.gz KQJPXFWWGXKPGS-QFIPXVFZSA-N 2 2 415.626 3.840 20 0 HHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805934 983545443 /nfs/dbraw/zinc/54/54/43/983545443.db2.gz KVBVPADIZDKEGR-CYFREDJKSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805934 983545446 /nfs/dbraw/zinc/54/54/46/983545446.db2.gz KVBVPADIZDKEGR-CYFREDJKSA-N 2 2 408.590 3.824 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440272254 983703706 /nfs/dbraw/zinc/70/37/06/983703706.db2.gz ZVJYFKKPHGZFAQ-HSZRJFAPSA-N 2 2 402.542 3.654 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)c1 ZINC000440810357 983916119 /nfs/dbraw/zinc/91/61/19/983916119.db2.gz PEZYJZGIGJICQL-FCHUYYIVSA-N 2 2 421.545 3.971 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)c1 ZINC000440866561 983942392 /nfs/dbraw/zinc/94/23/92/983942392.db2.gz ZMBUKHXLYXYSPK-QHCPKHFHSA-N 2 2 423.536 3.812 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(C)c1 ZINC000440866561 983942399 /nfs/dbraw/zinc/94/23/99/983942399.db2.gz ZMBUKHXLYXYSPK-QHCPKHFHSA-N 2 2 423.536 3.812 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000441314603 984176078 /nfs/dbraw/zinc/17/60/78/984176078.db2.gz JNLDJOMDDWHILH-LJQANCHMSA-N 2 2 410.562 3.885 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000441314603 984176085 /nfs/dbraw/zinc/17/60/85/984176085.db2.gz JNLDJOMDDWHILH-LJQANCHMSA-N 2 2 410.562 3.885 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@H]2CCOc3ccccc32)c(C)c1 ZINC000441384281 984222339 /nfs/dbraw/zinc/22/23/39/984222339.db2.gz QTJOKOHDVFTNSE-OIBXWCBGSA-N 2 2 418.541 3.859 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397471 984230047 /nfs/dbraw/zinc/23/00/47/984230047.db2.gz ABRGPEJNDIBNLL-QDSKXPNFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397471 984230053 /nfs/dbraw/zinc/23/00/53/984230053.db2.gz ABRGPEJNDIBNLL-QDSKXPNFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397471 984230055 /nfs/dbraw/zinc/23/00/55/984230055.db2.gz ABRGPEJNDIBNLL-QDSKXPNFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397471 984230058 /nfs/dbraw/zinc/23/00/58/984230058.db2.gz ABRGPEJNDIBNLL-QDSKXPNFSA-N 2 2 411.590 3.698 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405008 984234766 /nfs/dbraw/zinc/23/47/66/984234766.db2.gz JQHCTGAOTGDKFY-MAODMQOUSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405008 984234772 /nfs/dbraw/zinc/23/47/72/984234772.db2.gz JQHCTGAOTGDKFY-MAODMQOUSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405008 984234777 /nfs/dbraw/zinc/23/47/77/984234777.db2.gz JQHCTGAOTGDKFY-MAODMQOUSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405008 984234781 /nfs/dbraw/zinc/23/47/81/984234781.db2.gz JQHCTGAOTGDKFY-MAODMQOUSA-N 2 2 419.516 3.732 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1Cl ZINC000461748807 984758275 /nfs/dbraw/zinc/75/82/75/984758275.db2.gz SIGRCVMOMKDQAA-FQEVSTJZSA-N 2 2 404.942 3.737 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000442239536 984760568 /nfs/dbraw/zinc/76/05/68/984760568.db2.gz UEGXMSIXKFOXLZ-GGAORHGYSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000442239536 984760573 /nfs/dbraw/zinc/76/05/73/984760573.db2.gz UEGXMSIXKFOXLZ-GGAORHGYSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1c2cc(Cl)ccc2sc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000442866557 985251582 /nfs/dbraw/zinc/25/15/82/985251582.db2.gz WRGHBVJDUPVYLJ-UHFFFAOYSA-N 2 2 408.011 3.749 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443378508 985538383 /nfs/dbraw/zinc/53/83/83/985538383.db2.gz IYOVKLXJVUXYIA-UHFFFAOYSA-N 2 2 400.954 3.624 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443378508 985538391 /nfs/dbraw/zinc/53/83/91/985538391.db2.gz IYOVKLXJVUXYIA-UHFFFAOYSA-N 2 2 400.954 3.624 20 0 HHADLP C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)CCO1 ZINC000443506534 985677361 /nfs/dbraw/zinc/67/73/61/985677361.db2.gz GELMCLUBPNYQEC-CYBMUJFWSA-N 2 2 408.315 3.826 20 0 HHADLP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)CCO1 ZINC000443506534 985677368 /nfs/dbraw/zinc/67/73/68/985677368.db2.gz GELMCLUBPNYQEC-CYBMUJFWSA-N 2 2 408.315 3.826 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000462784249 985718937 /nfs/dbraw/zinc/71/89/37/985718937.db2.gz AZKIWHXLFACIRV-PKTZIBPZSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000462784249 985718946 /nfs/dbraw/zinc/71/89/46/985718946.db2.gz AZKIWHXLFACIRV-PKTZIBPZSA-N 2 2 410.558 3.615 20 0 HHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000462812273 985742251 /nfs/dbraw/zinc/74/22/51/985742251.db2.gz GZZSYLPTTJKHGH-XUBOLADHSA-N 2 2 410.606 3.897 20 0 HHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000462812273 985742255 /nfs/dbraw/zinc/74/22/55/985742255.db2.gz GZZSYLPTTJKHGH-XUBOLADHSA-N 2 2 410.606 3.897 20 0 HHADLP CC(C)c1ccc(CC2CC[NH+](C3CCN(CC[NH+]4CCOCC4)CC3)CC2)cc1 ZINC000462843463 985766709 /nfs/dbraw/zinc/76/67/09/985766709.db2.gz WALOANUMKWCFNS-UHFFFAOYSA-N 2 2 413.650 3.861 20 0 HHADLP Clc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463079599 986036805 /nfs/dbraw/zinc/03/68/05/986036805.db2.gz FYSDUUGSIGVNKQ-XMMPIXPASA-N 2 2 413.993 3.769 20 0 HHADLP Clc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000463079599 986036813 /nfs/dbraw/zinc/03/68/13/986036813.db2.gz FYSDUUGSIGVNKQ-XMMPIXPASA-N 2 2 413.993 3.769 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000463146484 986115920 /nfs/dbraw/zinc/11/59/20/986115920.db2.gz CAHWWAYOMCSROW-UZLBHIALSA-N 2 2 404.555 3.578 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000463154861 986125949 /nfs/dbraw/zinc/12/59/49/986125949.db2.gz GETVOJBFTSYPHG-AZUAARDMSA-N 2 2 416.591 3.957 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000463286345 986253532 /nfs/dbraw/zinc/25/35/32/986253532.db2.gz LHKQUUSMGLUWDP-QFIPXVFZSA-N 2 2 415.940 3.881 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000463293432 986260778 /nfs/dbraw/zinc/26/07/78/986260778.db2.gz IVZSUSOBVAOAAP-UHFFFAOYSA-N 2 2 407.605 3.730 20 0 HHADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000468770071 986483402 /nfs/dbraw/zinc/48/34/02/986483402.db2.gz AONVFYMMKNGNES-RTBURBONSA-N 2 2 410.562 3.543 20 0 HHADLP COc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)[C@@H](c1ccccc1)C2 ZINC000469028122 986738209 /nfs/dbraw/zinc/73/82/09/986738209.db2.gz QZSKAAZQYVWZBB-RUZDIDTESA-N 2 2 419.569 3.538 20 0 HHADLP COc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)[C@@H](c1ccccc1)C2 ZINC000469028122 986738216 /nfs/dbraw/zinc/73/82/16/986738216.db2.gz QZSKAAZQYVWZBB-RUZDIDTESA-N 2 2 419.569 3.538 20 0 HHADLP COc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)[C@H](c1ccccc1)C2 ZINC000469028448 986738587 /nfs/dbraw/zinc/73/85/87/986738587.db2.gz QZSKAAZQYVWZBB-VWLOTQADSA-N 2 2 419.569 3.538 20 0 HHADLP COc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)[C@H](c1ccccc1)C2 ZINC000469028448 986738589 /nfs/dbraw/zinc/73/85/89/986738589.db2.gz QZSKAAZQYVWZBB-VWLOTQADSA-N 2 2 419.569 3.538 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000444801523 986956408 /nfs/dbraw/zinc/95/64/08/986956408.db2.gz LGTWFFWDRRMGOJ-XXBNENTESA-N 2 2 420.582 3.835 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000444801523 986956416 /nfs/dbraw/zinc/95/64/16/986956416.db2.gz LGTWFFWDRRMGOJ-XXBNENTESA-N 2 2 420.582 3.835 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)CC1 ZINC000444916929 987064332 /nfs/dbraw/zinc/06/43/32/987064332.db2.gz CJJRGCIENWBTSA-UHFFFAOYSA-N 2 2 416.900 3.622 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000444917354 987064353 /nfs/dbraw/zinc/06/43/53/987064353.db2.gz DOCJLQNRIWEBET-IBGZPJMESA-N 2 2 411.550 3.696 20 0 HHADLP CCCN(C(=O)CCn1cc[nH+]c1C(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000469483863 987165945 /nfs/dbraw/zinc/16/59/45/987165945.db2.gz LRPUFVILGAIFMS-UHFFFAOYSA-N 2 2 412.582 3.711 20 0 HHADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000469741851 987392470 /nfs/dbraw/zinc/39/24/70/987392470.db2.gz OVAPEDIIRXJOLH-XJKSGUPXSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000469741851 987392473 /nfs/dbraw/zinc/39/24/73/987392473.db2.gz OVAPEDIIRXJOLH-XJKSGUPXSA-N 2 2 402.296 3.779 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000469763535 987416397 /nfs/dbraw/zinc/41/63/97/987416397.db2.gz IPBWYJTTZKVFFA-GDBMZVCRSA-N 2 2 409.372 3.552 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000469763535 987416400 /nfs/dbraw/zinc/41/64/00/987416400.db2.gz IPBWYJTTZKVFFA-GDBMZVCRSA-N 2 2 409.372 3.552 20 0 HHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000469789350 987434444 /nfs/dbraw/zinc/43/44/44/987434444.db2.gz FAEVXWULHBFVJW-VQIMIIECSA-N 2 2 400.592 3.815 20 0 HHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000469789350 987434448 /nfs/dbraw/zinc/43/44/48/987434448.db2.gz FAEVXWULHBFVJW-VQIMIIECSA-N 2 2 400.592 3.815 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000469858216 987495707 /nfs/dbraw/zinc/49/57/07/987495707.db2.gz CKOKFDNQAYKPCP-NZQKXSOJSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469866699 987503760 /nfs/dbraw/zinc/50/37/60/987503760.db2.gz RBCMNKCDJZHZFO-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469866699 987503762 /nfs/dbraw/zinc/50/37/62/987503762.db2.gz RBCMNKCDJZHZFO-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(OC)c1 ZINC000469867954 987505420 /nfs/dbraw/zinc/50/54/20/987505420.db2.gz ZHVSSYNJMHNWBN-VLCRHTCISA-N 2 2 413.566 3.567 20 0 HHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000469973311 987590997 /nfs/dbraw/zinc/59/09/97/987590997.db2.gz MFIVIXMLQRXSHZ-GXFFZTMASA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000469973311 987591002 /nfs/dbraw/zinc/59/10/02/987591002.db2.gz MFIVIXMLQRXSHZ-GXFFZTMASA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973311 987591006 /nfs/dbraw/zinc/59/10/06/987591006.db2.gz MFIVIXMLQRXSHZ-GXFFZTMASA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973311 987591011 /nfs/dbraw/zinc/59/10/11/987591011.db2.gz MFIVIXMLQRXSHZ-GXFFZTMASA-N 2 2 405.178 3.708 20 0 HHADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469997487 987613342 /nfs/dbraw/zinc/61/33/42/987613342.db2.gz ZOVXKSORVYOBGW-QGZVFWFLSA-N 2 2 415.525 3.837 20 0 HHADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469997487 987613346 /nfs/dbraw/zinc/61/33/46/987613346.db2.gz ZOVXKSORVYOBGW-QGZVFWFLSA-N 2 2 415.525 3.837 20 0 HHADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000464015052 988126404 /nfs/dbraw/zinc/12/64/04/988126404.db2.gz BNQJUJYEKDMNFD-UHFFFAOYSA-N 2 2 419.529 3.908 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000470300669 988259738 /nfs/dbraw/zinc/25/97/38/988259738.db2.gz ZGNFQSGTJMHGJK-VXKWHMMOSA-N 2 2 411.594 3.541 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000470300669 988259747 /nfs/dbraw/zinc/25/97/47/988259747.db2.gz ZGNFQSGTJMHGJK-VXKWHMMOSA-N 2 2 411.594 3.541 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470886862 988958669 /nfs/dbraw/zinc/95/86/69/988958669.db2.gz XYFJMWOCTYQUGG-XLIONFOSSA-N 2 2 422.976 3.571 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470886862 988958678 /nfs/dbraw/zinc/95/86/78/988958678.db2.gz XYFJMWOCTYQUGG-XLIONFOSSA-N 2 2 422.976 3.571 20 0 HHADLP CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811598 989046577 /nfs/dbraw/zinc/04/65/77/989046577.db2.gz RNNMNWYOAAXWFP-QFIPXVFZSA-N 2 2 421.589 3.648 20 0 HHADLP CC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811598 989046592 /nfs/dbraw/zinc/04/65/92/989046592.db2.gz RNNMNWYOAAXWFP-QFIPXVFZSA-N 2 2 421.589 3.648 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830551 989070420 /nfs/dbraw/zinc/07/04/20/989070420.db2.gz IOZYEVWGAGBHBC-IBGZPJMESA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830551 989070430 /nfs/dbraw/zinc/07/04/30/989070430.db2.gz IOZYEVWGAGBHBC-IBGZPJMESA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830551 989070438 /nfs/dbraw/zinc/07/04/38/989070438.db2.gz IOZYEVWGAGBHBC-IBGZPJMESA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830551 989070446 /nfs/dbraw/zinc/07/04/46/989070446.db2.gz IOZYEVWGAGBHBC-IBGZPJMESA-N 2 2 417.956 3.891 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845685 989096968 /nfs/dbraw/zinc/09/69/68/989096968.db2.gz OOKNLQSVQPHJQT-UYAOXDASSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845685 989096978 /nfs/dbraw/zinc/09/69/78/989096978.db2.gz OOKNLQSVQPHJQT-UYAOXDASSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845685 989096991 /nfs/dbraw/zinc/09/69/91/989096991.db2.gz OOKNLQSVQPHJQT-UYAOXDASSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845685 989096999 /nfs/dbraw/zinc/09/69/99/989096999.db2.gz OOKNLQSVQPHJQT-UYAOXDASSA-N 2 2 415.528 3.938 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232779 989378422 /nfs/dbraw/zinc/37/84/22/989378422.db2.gz CMHFWGVGFITAKY-WVBUVRCRSA-N 2 2 403.567 3.755 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232779 989378432 /nfs/dbraw/zinc/37/84/32/989378432.db2.gz CMHFWGVGFITAKY-WVBUVRCRSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232779 989378441 /nfs/dbraw/zinc/37/84/41/989378441.db2.gz CMHFWGVGFITAKY-WVBUVRCRSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232779 989378451 /nfs/dbraw/zinc/37/84/51/989378451.db2.gz CMHFWGVGFITAKY-WVBUVRCRSA-N 2 2 403.567 3.755 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465538412 989902092 /nfs/dbraw/zinc/90/20/92/989902092.db2.gz DUAXZRQFENLYMP-IBGZPJMESA-N 2 2 421.948 3.901 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCSc3ccc(F)cc32)([NH+]2CCCCC2)CC1 ZINC000465617817 990003797 /nfs/dbraw/zinc/00/37/97/990003797.db2.gz DJHNFGAKQOMGIN-LJQANCHMSA-N 2 2 420.598 3.612 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000465619893 990005312 /nfs/dbraw/zinc/00/53/12/990005312.db2.gz AHFOUVPXEKXIAK-OAQYLSRUSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000465619893 990005321 /nfs/dbraw/zinc/00/53/21/990005321.db2.gz AHFOUVPXEKXIAK-OAQYLSRUSA-N 2 2 417.557 3.737 20 0 HHADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465701401 990087787 /nfs/dbraw/zinc/08/77/87/990087787.db2.gz UEQOGRRCEBBLIW-HXUWFJFHSA-N 2 2 416.610 3.851 20 0 HHADLP Cc1[nH]c2ccc(CNC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2c1C ZINC000465715204 990100700 /nfs/dbraw/zinc/10/07/00/990100700.db2.gz FKUPLCZQDBAILP-UHFFFAOYSA-N 2 2 411.594 3.534 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465735075 990120270 /nfs/dbraw/zinc/12/02/70/990120270.db2.gz DBJOKDDJXIKXPW-IBGZPJMESA-N 2 2 421.520 3.817 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000465735075 990120273 /nfs/dbraw/zinc/12/02/73/990120273.db2.gz DBJOKDDJXIKXPW-IBGZPJMESA-N 2 2 421.520 3.817 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1cccs1 ZINC000465762264 990147999 /nfs/dbraw/zinc/14/79/99/990147999.db2.gz YKQRAXVTXCLKGZ-RXVVDRJESA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H]1c1cccs1 ZINC000465762264 990148003 /nfs/dbraw/zinc/14/80/03/990148003.db2.gz YKQRAXVTXCLKGZ-RXVVDRJESA-N 2 2 409.559 3.816 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000472008027 990176315 /nfs/dbraw/zinc/17/63/15/990176315.db2.gz GRRBYQOMCYVZOA-IRLDBZIGSA-N 2 2 416.585 3.711 20 0 HHADLP CCOc1ccccc1[C@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465820599 990203724 /nfs/dbraw/zinc/20/37/24/990203724.db2.gz YAQATBNCBAFTAK-NRFANRHFSA-N 2 2 416.610 3.786 20 0 HHADLP CCC(CC)(CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000465822871 990206095 /nfs/dbraw/zinc/20/60/95/990206095.db2.gz ZTUHAHFHPYZPER-UHFFFAOYSA-N 2 2 400.611 3.602 20 0 HHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465865962 990977562 /nfs/dbraw/zinc/97/75/62/990977562.db2.gz DZXZCDFCOKHWEA-JOCHJYFZSA-N 2 2 415.626 3.984 20 0 HHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465865962 990977568 /nfs/dbraw/zinc/97/75/68/990977568.db2.gz DZXZCDFCOKHWEA-JOCHJYFZSA-N 2 2 415.626 3.984 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000465879575 990997539 /nfs/dbraw/zinc/99/75/39/990997539.db2.gz UNDLLBHCDAEKNA-OAQYLSRUSA-N 2 2 417.985 3.979 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000465890130 991014700 /nfs/dbraw/zinc/01/47/00/991014700.db2.gz HATGGEYHKHVSEH-AUSIDOKSSA-N 2 2 417.557 3.880 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000465890130 991014706 /nfs/dbraw/zinc/01/47/06/991014706.db2.gz HATGGEYHKHVSEH-AUSIDOKSSA-N 2 2 417.557 3.880 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000465965965 991114110 /nfs/dbraw/zinc/11/41/10/991114110.db2.gz KKNXXXNBZTTXQN-NRFANRHFSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000465965965 991114118 /nfs/dbraw/zinc/11/41/18/991114118.db2.gz KKNXXXNBZTTXQN-NRFANRHFSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(C[C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466140931 991323119 /nfs/dbraw/zinc/32/31/19/991323119.db2.gz FDNBPIQLKTTYFK-OAQYLSRUSA-N 2 2 400.611 3.518 20 0 HHADLP C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154087 991339612 /nfs/dbraw/zinc/33/96/12/991339612.db2.gz NPZSCMDOZAVZMX-FPOVZHCZSA-N 2 2 416.585 3.663 20 0 HHADLP CC(C)COc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154427 991340284 /nfs/dbraw/zinc/34/02/84/991340284.db2.gz PUYYKCJRDHMIRY-UHFFFAOYSA-N 2 2 402.583 3.793 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466155246 991341944 /nfs/dbraw/zinc/34/19/44/991341944.db2.gz VWPDEMNEIZEGAO-IBGZPJMESA-N 2 2 404.624 3.717 20 0 HHADLP CCc1ccc(CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C2CC2)cc1 ZINC000466156376 991343095 /nfs/dbraw/zinc/34/30/95/991343095.db2.gz BBLYUOAQTHCLPJ-UHFFFAOYSA-N 2 2 412.622 3.873 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228976 991452025 /nfs/dbraw/zinc/45/20/25/991452025.db2.gz VHBJHWOWOVOTPM-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228976 991452032 /nfs/dbraw/zinc/45/20/32/991452032.db2.gz VHBJHWOWOVOTPM-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP CC(C)(C)[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000467185383 992506758 /nfs/dbraw/zinc/50/67/58/992506758.db2.gz FARQVZHRPKEXGU-XMMPIXPASA-N 2 2 409.574 3.512 20 0 HHADLP Cc1sc2nc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000467203349 992528268 /nfs/dbraw/zinc/52/82/68/992528268.db2.gz WKZOIHAUEDQZOU-HNNXBMFYSA-N 2 2 404.580 3.652 20 0 HHADLP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467220285 992544546 /nfs/dbraw/zinc/54/45/46/992544546.db2.gz VMHJMBKNJMIJRB-VWLOTQADSA-N 2 2 407.558 3.555 20 0 HHADLP C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467220285 992544556 /nfs/dbraw/zinc/54/45/56/992544556.db2.gz VMHJMBKNJMIJRB-VWLOTQADSA-N 2 2 407.558 3.555 20 0 HHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000467339425 992660254 /nfs/dbraw/zinc/66/02/54/992660254.db2.gz URSDRLIAAFNVBD-GOTSBHOMSA-N 2 2 409.574 3.917 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856408 993087825 /nfs/dbraw/zinc/08/78/25/993087825.db2.gz YPPQUYKTFDASQC-YRISNDGFSA-N 2 2 421.632 3.732 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856408 993087830 /nfs/dbraw/zinc/08/78/30/993087830.db2.gz YPPQUYKTFDASQC-YRISNDGFSA-N 2 2 421.632 3.732 20 0 HHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000472147971 993202854 /nfs/dbraw/zinc/20/28/54/993202854.db2.gz TYMDJXRHHHOJDQ-GOSISDBHSA-N 2 2 402.498 3.817 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296062 993310092 /nfs/dbraw/zinc/31/00/92/993310092.db2.gz TYVGRZJLVSWDSL-GJZGRUSLSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296062 993310098 /nfs/dbraw/zinc/31/00/98/993310098.db2.gz TYVGRZJLVSWDSL-GJZGRUSLSA-N 2 2 402.366 3.753 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472302334 993315566 /nfs/dbraw/zinc/31/55/66/993315566.db2.gz WRKYSVZBUYXYMD-PZJWPPBQSA-N 2 2 412.603 3.658 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472302334 993315574 /nfs/dbraw/zinc/31/55/74/993315574.db2.gz WRKYSVZBUYXYMD-PZJWPPBQSA-N 2 2 412.603 3.658 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472520346 993511999 /nfs/dbraw/zinc/51/19/99/993511999.db2.gz PJCDDZLZJCPONA-DNQXCXABSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472520346 993512005 /nfs/dbraw/zinc/51/20/05/993512005.db2.gz PJCDDZLZJCPONA-DNQXCXABSA-N 2 2 423.605 3.713 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3nnn(-c4ccccc4)c3C)cc2)CC1 ZINC000480732601 993598855 /nfs/dbraw/zinc/59/88/55/993598855.db2.gz SQVHCFZEWZZOTD-HXUWFJFHSA-N 2 2 418.589 3.564 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000480911294 993766901 /nfs/dbraw/zinc/76/69/01/993766901.db2.gz NOBLAXILYLURCW-GOSISDBHSA-N 2 2 424.980 3.519 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000480911294 993766915 /nfs/dbraw/zinc/76/69/15/993766915.db2.gz NOBLAXILYLURCW-GOSISDBHSA-N 2 2 424.980 3.519 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000480911613 993767925 /nfs/dbraw/zinc/76/79/25/993767925.db2.gz QHXBSXHNUJOYFY-HNNXBMFYSA-N 2 2 421.463 3.616 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000481169296 994000771 /nfs/dbraw/zinc/00/07/71/994000771.db2.gz NFLMMSXEKPYHQB-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000481169296 994000782 /nfs/dbraw/zinc/00/07/82/994000782.db2.gz NFLMMSXEKPYHQB-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000481190340 994022020 /nfs/dbraw/zinc/02/20/20/994022020.db2.gz LKQZLWXDNANYGW-FQEVSTJZSA-N 2 2 402.535 3.863 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000481210632 994043634 /nfs/dbraw/zinc/04/36/34/994043634.db2.gz WWDNAIBSSLGKLB-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP C[NH+]1CCC(CNC(=O)C[C@H](c2cccs2)n2cccc2)([NH+]2CCCCC2)CC1 ZINC000473210363 994069763 /nfs/dbraw/zinc/06/97/63/994069763.db2.gz SWCFGURNKKDIJH-HXUWFJFHSA-N 2 2 414.619 3.596 20 0 HHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000481247881 994075027 /nfs/dbraw/zinc/07/50/27/994075027.db2.gz YJTNNGKDGHSZTR-AWEZNQCLSA-N 2 2 410.896 3.939 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481293140 994108485 /nfs/dbraw/zinc/10/84/85/994108485.db2.gz FYWHTYNYGAIYBD-IBGZPJMESA-N 2 2 410.562 3.900 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308322 994125599 /nfs/dbraw/zinc/12/55/99/994125599.db2.gz PRZRHSMHHBYKKU-HOYKHHGWSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308322 994125604 /nfs/dbraw/zinc/12/56/04/994125604.db2.gz PRZRHSMHHBYKKU-HOYKHHGWSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC(F)F)c1 ZINC000481408756 994243269 /nfs/dbraw/zinc/24/32/69/994243269.db2.gz USBLABCFFOEHMX-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481529945 994361106 /nfs/dbraw/zinc/36/11/06/994361106.db2.gz BBTDCBWMOFCMFY-GBXCKJPGSA-N 2 2 409.574 3.639 20 0 HHADLP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481529945 994361117 /nfs/dbraw/zinc/36/11/17/994361117.db2.gz BBTDCBWMOFCMFY-GBXCKJPGSA-N 2 2 409.574 3.639 20 0 HHADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000481677671 994537253 /nfs/dbraw/zinc/53/72/53/994537253.db2.gz LLMYZXGPTPURCP-KNQAVFIVSA-N 2 2 421.589 3.684 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000473682703 994572659 /nfs/dbraw/zinc/57/26/59/994572659.db2.gz OFRUALBHQVXUEU-SFHVURJKSA-N 2 2 414.377 3.578 20 0 HHADLP CC[C@H](C[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000481733207 994591338 /nfs/dbraw/zinc/59/13/38/994591338.db2.gz HZUZLESWAQKHFR-JOCHJYFZSA-N 2 2 409.574 3.973 20 0 HHADLP CC[C@H](C[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000481733207 994591349 /nfs/dbraw/zinc/59/13/49/994591349.db2.gz HZUZLESWAQKHFR-JOCHJYFZSA-N 2 2 409.574 3.973 20 0 HHADLP Cc1ccc2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000473722229 994616042 /nfs/dbraw/zinc/61/60/42/994616042.db2.gz DVRPETQLPFLHER-UHFFFAOYSA-N 2 2 406.574 3.709 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000482001367 994903016 /nfs/dbraw/zinc/90/30/16/994903016.db2.gz MQHMPBQJJGJMHD-ZIBATOQPSA-N 2 2 422.738 3.772 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000482001367 994903027 /nfs/dbraw/zinc/90/30/27/994903027.db2.gz MQHMPBQJJGJMHD-ZIBATOQPSA-N 2 2 422.738 3.772 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024792 994939331 /nfs/dbraw/zinc/93/93/31/994939331.db2.gz HCMWIIIXDPJPFO-BBRMVZONSA-N 2 2 403.901 3.535 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024792 994939339 /nfs/dbraw/zinc/93/93/39/994939339.db2.gz HCMWIIIXDPJPFO-BBRMVZONSA-N 2 2 403.901 3.535 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048951 994972698 /nfs/dbraw/zinc/97/26/98/994972698.db2.gz OQMWUMJWYKQZJE-ICSRJNTNSA-N 2 2 412.603 3.720 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048951 994972710 /nfs/dbraw/zinc/97/27/10/994972710.db2.gz OQMWUMJWYKQZJE-ICSRJNTNSA-N 2 2 412.603 3.720 20 0 HHADLP COC(=O)c1ccc(-c2ccc(CNc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)o2)cc1 ZINC000482055220 994983196 /nfs/dbraw/zinc/98/31/96/994983196.db2.gz LBKJTVYVOBKUCD-FQEVSTJZSA-N 2 2 420.513 3.881 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000482102769 995049250 /nfs/dbraw/zinc/04/92/50/995049250.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000482102769 995049258 /nfs/dbraw/zinc/04/92/58/995049258.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102769 995049267 /nfs/dbraw/zinc/04/92/67/995049267.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102769 995049275 /nfs/dbraw/zinc/04/92/75/995049275.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 2 2 419.569 3.754 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120057 995067111 /nfs/dbraw/zinc/06/71/11/995067111.db2.gz IPMISYFHGNVJIT-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120057 995067120 /nfs/dbraw/zinc/06/71/20/995067120.db2.gz IPMISYFHGNVJIT-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482144127 995094964 /nfs/dbraw/zinc/09/49/64/995094964.db2.gz QRQLINUXCPGKLC-QGZVFWFLSA-N 2 2 420.907 3.611 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482144127 995094971 /nfs/dbraw/zinc/09/49/71/995094971.db2.gz QRQLINUXCPGKLC-QGZVFWFLSA-N 2 2 420.907 3.611 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000482144238 995095116 /nfs/dbraw/zinc/09/51/16/995095116.db2.gz PZTGAFQTDJAORI-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000482144238 995095123 /nfs/dbraw/zinc/09/51/23/995095123.db2.gz PZTGAFQTDJAORI-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)([NH+]2CCCCC2)CC1 ZINC000474449020 995411292 /nfs/dbraw/zinc/41/12/92/995411292.db2.gz HSKCMIKJZJBEMQ-UNMCSNQZSA-N 2 2 416.585 3.711 20 0 HHADLP Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000482552827 995559729 /nfs/dbraw/zinc/55/97/29/995559729.db2.gz KNBVFFILFZNRKY-ZWKOTPCHSA-N 2 2 422.552 3.878 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615497 995567512 /nfs/dbraw/zinc/56/75/12/995567512.db2.gz KTHLGGGJRQOOHF-GBXCKJPGSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615497 995567519 /nfs/dbraw/zinc/56/75/19/995567519.db2.gz KTHLGGGJRQOOHF-GBXCKJPGSA-N 2 2 422.573 3.818 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595770 995596986 /nfs/dbraw/zinc/59/69/86/995596986.db2.gz ZQBBOXCJLCEDMN-VXKWHMMOSA-N 2 2 407.562 3.580 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595770 995596994 /nfs/dbraw/zinc/59/69/94/995596994.db2.gz ZQBBOXCJLCEDMN-VXKWHMMOSA-N 2 2 407.562 3.580 20 0 HHADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000474801294 995715426 /nfs/dbraw/zinc/71/54/26/995715426.db2.gz QCVRMEDLFHSWKW-UHFFFAOYSA-N 2 2 407.327 3.835 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885227 995817256 /nfs/dbraw/zinc/81/72/56/995817256.db2.gz DOTGZFFCKNIUIJ-WWEVIYMKSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885227 995817260 /nfs/dbraw/zinc/81/72/60/995817260.db2.gz DOTGZFFCKNIUIJ-WWEVIYMKSA-N 2 2 414.544 3.824 20 0 HHADLP CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475173985 995971198 /nfs/dbraw/zinc/97/11/98/995971198.db2.gz KDZHNHYCAHZBNW-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475173985 995971204 /nfs/dbraw/zinc/97/12/04/995971204.db2.gz KDZHNHYCAHZBNW-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)C2 ZINC000475176189 995973301 /nfs/dbraw/zinc/97/33/01/995973301.db2.gz ZGOIPRHTTWYVBG-IBGZPJMESA-N 2 2 421.589 3.809 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CC2 ZINC000475176189 995973306 /nfs/dbraw/zinc/97/33/06/995973306.db2.gz ZGOIPRHTTWYVBG-IBGZPJMESA-N 2 2 421.589 3.809 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)CC2)cc1 ZINC000475319303 996067718 /nfs/dbraw/zinc/06/77/18/996067718.db2.gz LDMRWUHPKTZWMU-FQEVSTJZSA-N 2 2 424.589 3.675 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)CC2)cc1 ZINC000475319303 996067724 /nfs/dbraw/zinc/06/77/24/996067724.db2.gz LDMRWUHPKTZWMU-FQEVSTJZSA-N 2 2 424.589 3.675 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000475395554 996112201 /nfs/dbraw/zinc/11/22/01/996112201.db2.gz XUNRFYOSGIYKFT-KRWDZBQOSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CC[NH+](Cc3cccs3)CC1)CC2 ZINC000475395554 996112207 /nfs/dbraw/zinc/11/22/07/996112207.db2.gz XUNRFYOSGIYKFT-KRWDZBQOSA-N 2 2 400.592 3.728 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483555544 996248358 /nfs/dbraw/zinc/24/83/58/996248358.db2.gz SRDMIFRWLRKPEW-VWNXMTODSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555544 996248364 /nfs/dbraw/zinc/24/83/64/996248364.db2.gz SRDMIFRWLRKPEW-VWNXMTODSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483563783 996253156 /nfs/dbraw/zinc/25/31/56/996253156.db2.gz BEDQOQFDNVSCSZ-ISKFKSNPSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483563783 996253160 /nfs/dbraw/zinc/25/31/60/996253160.db2.gz BEDQOQFDNVSCSZ-ISKFKSNPSA-N 2 2 400.526 3.999 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475811073 996385991 /nfs/dbraw/zinc/38/59/91/996385991.db2.gz CDTSSVBILCSCLL-PMACEKPBSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475811073 996385993 /nfs/dbraw/zinc/38/59/93/996385993.db2.gz CDTSSVBILCSCLL-PMACEKPBSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)oc1C ZINC000483877840 996443608 /nfs/dbraw/zinc/44/36/08/996443608.db2.gz HRTBMPBNLXBJDU-UHFFFAOYSA-N 2 2 411.550 3.639 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000483915575 996466998 /nfs/dbraw/zinc/46/69/98/996466998.db2.gz SVMBWLLKOHXTJF-UHFFFAOYSA-N 2 2 402.436 3.525 20 0 HHADLP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483920870 996469676 /nfs/dbraw/zinc/46/96/76/996469676.db2.gz BKDBNUIJGSRYNU-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483920870 996469681 /nfs/dbraw/zinc/46/96/81/996469681.db2.gz BKDBNUIJGSRYNU-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP Cc1coc(-c2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2C)n1 ZINC000483934510 996477288 /nfs/dbraw/zinc/47/72/88/996477288.db2.gz QELNRLZHACPHJK-UHFFFAOYSA-N 2 2 411.550 3.639 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000476010390 996539522 /nfs/dbraw/zinc/53/95/22/996539522.db2.gz NYQDMTUWNDCJRM-YFHOEESVSA-N 2 2 410.606 3.824 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172295 996615704 /nfs/dbraw/zinc/61/57/04/996615704.db2.gz GDGOQDBWSZQIPH-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172295 996615708 /nfs/dbraw/zinc/61/57/08/996615708.db2.gz GDGOQDBWSZQIPH-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000484276476 996674305 /nfs/dbraw/zinc/67/43/05/996674305.db2.gz PJYGBOVGPUIUDX-WFXMLNOXSA-N 2 2 416.587 3.802 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000484276476 996674309 /nfs/dbraw/zinc/67/43/09/996674309.db2.gz PJYGBOVGPUIUDX-WFXMLNOXSA-N 2 2 416.587 3.802 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCCc4c(O)cccc43)n2)CC1 ZINC000484289190 996681060 /nfs/dbraw/zinc/68/10/60/996681060.db2.gz BCMNSMXQJHXNSD-LJQANCHMSA-N 2 2 414.575 3.686 20 0 HHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000484335659 996710927 /nfs/dbraw/zinc/71/09/27/996710927.db2.gz IWISIPJTJFEIFW-LJQANCHMSA-N 2 2 421.541 3.540 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000476267583 996718366 /nfs/dbraw/zinc/71/83/66/996718366.db2.gz VSUGRQUKUUFVAM-YJBOKZPZSA-N 2 2 412.484 3.792 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000476267583 996718368 /nfs/dbraw/zinc/71/83/68/996718368.db2.gz VSUGRQUKUUFVAM-YJBOKZPZSA-N 2 2 412.484 3.792 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476575532 997074320 /nfs/dbraw/zinc/07/43/20/997074320.db2.gz XZULWVRKPCQGKS-YJBOKZPZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476575532 997074330 /nfs/dbraw/zinc/07/43/30/997074330.db2.gz XZULWVRKPCQGKS-YJBOKZPZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000484992450 997354050 /nfs/dbraw/zinc/35/40/50/997354050.db2.gz DMKWYVSGFQJSMO-IBGZPJMESA-N 2 2 413.562 3.543 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000476852442 997421214 /nfs/dbraw/zinc/42/12/14/997421214.db2.gz TUNIHHLNHOARKX-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000476852442 997421222 /nfs/dbraw/zinc/42/12/22/997421222.db2.gz TUNIHHLNHOARKX-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000476879647 997461745 /nfs/dbraw/zinc/46/17/45/997461745.db2.gz BWJUBXUAUBEYAC-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000476879647 997461753 /nfs/dbraw/zinc/46/17/53/997461753.db2.gz BWJUBXUAUBEYAC-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295590 997700152 /nfs/dbraw/zinc/70/01/52/997700152.db2.gz QSQVHBITTYLMHZ-NZQKXSOJSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295590 997700165 /nfs/dbraw/zinc/70/01/65/997700165.db2.gz QSQVHBITTYLMHZ-NZQKXSOJSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000485474755 997923059 /nfs/dbraw/zinc/92/30/59/997923059.db2.gz AHKBVDNRHXPBRV-PMACEKPBSA-N 2 2 409.578 3.610 20 0 HHADLP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000477288111 997971365 /nfs/dbraw/zinc/97/13/65/997971365.db2.gz AWGNGOXFELOXMY-SFHVURJKSA-N 2 2 408.537 3.541 20 0 HHADLP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000477288111 997971380 /nfs/dbraw/zinc/97/13/80/997971380.db2.gz AWGNGOXFELOXMY-SFHVURJKSA-N 2 2 408.537 3.541 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000477290275 997975147 /nfs/dbraw/zinc/97/51/47/997975147.db2.gz NYASDXUKJORNKD-UXHICEINSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000477290275 997975151 /nfs/dbraw/zinc/97/51/51/997975151.db2.gz NYASDXUKJORNKD-UXHICEINSA-N 2 2 422.976 3.713 20 0 HHADLP Cc1ccc(N2CCC(Nc3cc[nH+]c(N[C@@H]4CCCO[C@@H]4C(C)C)n3)CC2)[nH+]c1 ZINC000485976402 998418231 /nfs/dbraw/zinc/41/82/31/998418231.db2.gz QTOYYMUJNPLQGA-DENIHFKCSA-N 2 2 410.566 3.876 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007560 998451006 /nfs/dbraw/zinc/45/10/06/998451006.db2.gz PKXAMARNVZKZAR-NVXDSCFRSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007560 998451011 /nfs/dbraw/zinc/45/10/11/998451011.db2.gz PKXAMARNVZKZAR-NVXDSCFRSA-N 2 2 424.593 3.616 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000478033448 998725119 /nfs/dbraw/zinc/72/51/19/998725119.db2.gz BOSAPKSIJWXGQG-XMMPIXPASA-N 2 2 423.605 3.996 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000478033448 998725121 /nfs/dbraw/zinc/72/51/21/998725121.db2.gz BOSAPKSIJWXGQG-XMMPIXPASA-N 2 2 423.605 3.996 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000478204876 998821380 /nfs/dbraw/zinc/82/13/80/998821380.db2.gz ZNHFESSIUVVNGV-AUSIDOKSSA-N 2 2 409.578 3.871 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487125839 999070067 /nfs/dbraw/zinc/07/00/67/999070067.db2.gz JNBVJIFSQDJZHK-CTNGQTDRSA-N 2 2 417.504 3.685 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487125839 999070076 /nfs/dbraw/zinc/07/00/76/999070076.db2.gz JNBVJIFSQDJZHK-CTNGQTDRSA-N 2 2 417.504 3.685 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000478745913 999119489 /nfs/dbraw/zinc/11/94/89/999119489.db2.gz XXWFJSFMSCJKCX-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1Br ZINC000478745913 999119493 /nfs/dbraw/zinc/11/94/93/999119493.db2.gz XXWFJSFMSCJKCX-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP C[C@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487903603 999310705 /nfs/dbraw/zinc/31/07/05/999310705.db2.gz ACOSMXAQVGGTAD-RUZDIDTESA-N 2 2 417.557 3.785 20 0 HHADLP C[C@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487903603 999310710 /nfs/dbraw/zinc/31/07/10/999310710.db2.gz ACOSMXAQVGGTAD-RUZDIDTESA-N 2 2 417.557 3.785 20 0 HHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479341840 999394830 /nfs/dbraw/zinc/39/48/30/999394830.db2.gz GDRVSFNDBPPNGQ-NSISKUIASA-N 2 2 422.976 3.884 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479437314 999416959 /nfs/dbraw/zinc/41/69/59/999416959.db2.gz MCPOBKYPGANODS-RPBOFIJWSA-N 2 2 417.553 3.730 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479437314 999416962 /nfs/dbraw/zinc/41/69/62/999416962.db2.gz MCPOBKYPGANODS-RPBOFIJWSA-N 2 2 417.553 3.730 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000488598342 999540868 /nfs/dbraw/zinc/54/08/68/999540868.db2.gz QGRPTCZCEVGXTO-QGZVFWFLSA-N 2 2 422.411 3.776 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488788307 999607835 /nfs/dbraw/zinc/60/78/35/999607835.db2.gz SCPDZBBHKPCJTG-WTXPMHKTSA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488788307 999607837 /nfs/dbraw/zinc/60/78/37/999607837.db2.gz SCPDZBBHKPCJTG-WTXPMHKTSA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488788304 999607865 /nfs/dbraw/zinc/60/78/65/999607865.db2.gz SCPDZBBHKPCJTG-HRAFCDAUSA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488788304 999607866 /nfs/dbraw/zinc/60/78/66/999607866.db2.gz SCPDZBBHKPCJTG-HRAFCDAUSA-N 2 2 407.643 3.766 20 0 HHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000479875519 999632758 /nfs/dbraw/zinc/63/27/58/999632758.db2.gz QZAMBODZPNCKNG-QDSKXPNFSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000479875519 999632776 /nfs/dbraw/zinc/63/27/76/999632776.db2.gz QZAMBODZPNCKNG-QDSKXPNFSA-N 2 2 408.590 3.727 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccs1 ZINC000489095385 999697997 /nfs/dbraw/zinc/69/79/97/999697997.db2.gz AKJREUCEPDDPAY-SFHLNBCPSA-N 2 2 409.559 3.775 20 0 HHADLP c1cc(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260067 999732279 /nfs/dbraw/zinc/73/22/79/999732279.db2.gz VYACXFBCGKKLGW-CLJLJLNGSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489260067 999732282 /nfs/dbraw/zinc/73/22/82/999732282.db2.gz VYACXFBCGKKLGW-CLJLJLNGSA-N 4 2 410.650 3.522 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480228484 999750685 /nfs/dbraw/zinc/75/06/85/999750685.db2.gz NXPMVRISJRFYHN-IBGZPJMESA-N 2 2 406.574 3.779 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000489366217 999752859 /nfs/dbraw/zinc/75/28/59/999752859.db2.gz TXLKMOHYPUZUPR-SFHVURJKSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000489366217 999752869 /nfs/dbraw/zinc/75/28/69/999752869.db2.gz TXLKMOHYPUZUPR-SFHVURJKSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000489398436 999758751 /nfs/dbraw/zinc/75/87/51/999758751.db2.gz XVKSWMSDWBZHIC-QHCPKHFHSA-N 2 2 410.537 3.779 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000489398436 999758753 /nfs/dbraw/zinc/75/87/53/999758753.db2.gz XVKSWMSDWBZHIC-QHCPKHFHSA-N 2 2 410.537 3.779 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410424 999761179 /nfs/dbraw/zinc/76/11/79/999761179.db2.gz YSMKMRAVTORVOJ-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410424 999761183 /nfs/dbraw/zinc/76/11/83/999761183.db2.gz YSMKMRAVTORVOJ-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(F)cc1 ZINC000480528425 999819144 /nfs/dbraw/zinc/81/91/44/999819144.db2.gz QVPDGMCRLGRVAY-KRWDZBQOSA-N 2 2 404.493 3.853 20 0 HHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480638111 999847984 /nfs/dbraw/zinc/84/79/84/999847984.db2.gz HKSUUCDUSHSWFC-MRXNPFEDSA-N 2 2 414.619 3.987 20 0 HHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480638108 999848004 /nfs/dbraw/zinc/84/80/04/999848004.db2.gz HKSUUCDUSHSWFC-INIZCTEOSA-N 2 2 414.619 3.987 20 0 HHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480639246 999848336 /nfs/dbraw/zinc/84/83/36/999848336.db2.gz AHCIDSKYIOIDOH-BWKNWUBXSA-N 2 2 404.558 3.526 20 0 HHADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000490130012 999897468 /nfs/dbraw/zinc/89/74/68/999897468.db2.gz IPEHBQPQGJAGPP-XMMPIXPASA-N 2 2 423.582 3.853 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544668 999975157 /nfs/dbraw/zinc/97/51/57/999975157.db2.gz MCUKXLRPGYSCBZ-MNEFBYGVSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544668 999975158 /nfs/dbraw/zinc/97/51/58/999975158.db2.gz MCUKXLRPGYSCBZ-MNEFBYGVSA-N 2 2 404.352 3.681 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998365 1000031882 /nfs/dbraw/zinc/03/18/82/1000031882.db2.gz UPZGOFWFXZFXRW-DNRQZRRGSA-N 2 2 420.601 3.638 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998365 1000031884 /nfs/dbraw/zinc/03/18/84/1000031884.db2.gz UPZGOFWFXZFXRW-DNRQZRRGSA-N 2 2 420.601 3.638 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061699 1000041126 /nfs/dbraw/zinc/04/11/26/1000041126.db2.gz NYCHCTOUGGGYJI-LEWJYISDSA-N 2 2 410.606 3.803 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061699 1000041127 /nfs/dbraw/zinc/04/11/27/1000041127.db2.gz NYCHCTOUGGGYJI-LEWJYISDSA-N 2 2 410.606 3.803 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491902482 1000100065 /nfs/dbraw/zinc/10/00/65/1000100065.db2.gz RUNJQRDYPVOHNQ-DENIHFKCSA-N 2 2 418.545 3.843 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491902482 1000100067 /nfs/dbraw/zinc/10/00/67/1000100067.db2.gz RUNJQRDYPVOHNQ-DENIHFKCSA-N 2 2 418.545 3.843 20 0 HHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000491958931 1000102444 /nfs/dbraw/zinc/10/24/44/1000102444.db2.gz OFGJIOVXOCFFTB-UHFFFAOYSA-N 2 2 424.936 3.766 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000492207267 1000115253 /nfs/dbraw/zinc/11/52/53/1000115253.db2.gz FAPGULYWOYASFT-UHFFFAOYSA-N 2 2 401.501 3.587 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(OC)c1 ZINC000492250382 1000117817 /nfs/dbraw/zinc/11/78/17/1000117817.db2.gz GKDNXTQTWJZMSS-NRFANRHFSA-N 2 2 422.533 3.540 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000492261774 1000118520 /nfs/dbraw/zinc/11/85/20/1000118520.db2.gz WGTIFFCAARPFFK-NRFANRHFSA-N 2 2 421.354 3.918 20 0 HHADLP COC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000493843837 1000197606 /nfs/dbraw/zinc/19/76/06/1000197606.db2.gz MGTLLUZHRFDJLR-NRFANRHFSA-N 2 2 404.938 3.528 20 0 HHADLP COC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000493897417 1000204274 /nfs/dbraw/zinc/20/42/74/1000204274.db2.gz NYISCZCDDKNOAH-QFIPXVFZSA-N 2 2 404.938 3.528 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335699 /nfs/dbraw/zinc/33/56/99/1000335699.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335703 /nfs/dbraw/zinc/33/57/03/1000335703.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335706 /nfs/dbraw/zinc/33/57/06/1000335706.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162991 1000335710 /nfs/dbraw/zinc/33/57/10/1000335710.db2.gz HYONRNASEGKZPF-GMAHTHKFSA-N 2 2 401.501 3.737 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000504890084 1000431105 /nfs/dbraw/zinc/43/11/05/1000431105.db2.gz SZDOMZBBCNOMCD-JTSKRJEESA-N 2 2 414.981 3.689 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000504890084 1000431110 /nfs/dbraw/zinc/43/11/10/1000431110.db2.gz SZDOMZBBCNOMCD-JTSKRJEESA-N 2 2 414.981 3.689 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)n2)c1 ZINC000494342269 1000442524 /nfs/dbraw/zinc/44/25/24/1000442524.db2.gz WDGZMRHMFRDXEE-FYZZASKESA-N 2 2 402.546 3.736 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)n2)c1 ZINC000494342269 1000442528 /nfs/dbraw/zinc/44/25/28/1000442528.db2.gz WDGZMRHMFRDXEE-FYZZASKESA-N 2 2 402.546 3.736 20 0 HHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494401945 1000474352 /nfs/dbraw/zinc/47/43/52/1000474352.db2.gz CBVARMTYEFCACY-QFIPXVFZSA-N 2 2 413.525 3.908 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494427484 1000487701 /nfs/dbraw/zinc/48/77/01/1000487701.db2.gz FUCRRHMEMSLLRE-XZOQPEGZSA-N 2 2 407.562 3.818 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000504994624 1000494827 /nfs/dbraw/zinc/49/48/27/1000494827.db2.gz QZVUIAXFUNTPDU-KXBFYZLASA-N 2 2 421.010 3.750 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000504994624 1000494830 /nfs/dbraw/zinc/49/48/30/1000494830.db2.gz QZVUIAXFUNTPDU-KXBFYZLASA-N 2 2 421.010 3.750 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505470003 1000796532 /nfs/dbraw/zinc/79/65/32/1000796532.db2.gz WNYKLNNVRUTFLA-IBGZPJMESA-N 2 2 419.367 3.640 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537885 1000886943 /nfs/dbraw/zinc/88/69/43/1000886943.db2.gz HIBNLLVAACLHAB-TZIWHRDSSA-N 2 2 420.395 3.530 20 0 HHADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537885 1000886950 /nfs/dbraw/zinc/88/69/50/1000886950.db2.gz HIBNLLVAACLHAB-TZIWHRDSSA-N 2 2 420.395 3.530 20 0 HHADLP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC[NH2+]2)cc1 ZINC000505557180 1000901807 /nfs/dbraw/zinc/90/18/07/1000901807.db2.gz HDMGQFDVLAEEEP-HSZRJFAPSA-N 2 2 409.599 3.585 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495756824 1001071542 /nfs/dbraw/zinc/07/15/42/1001071542.db2.gz BAMCXGGJMBHNHI-PMACEKPBSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495756824 1001071546 /nfs/dbraw/zinc/07/15/46/1001071546.db2.gz BAMCXGGJMBHNHI-PMACEKPBSA-N 2 2 419.635 3.583 20 0 HHADLP Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495821024 1001081496 /nfs/dbraw/zinc/08/14/96/1001081496.db2.gz SDXIMPWLGNWDJT-UHFFFAOYSA-N 2 2 422.932 3.541 20 0 HHADLP Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495821024 1001081504 /nfs/dbraw/zinc/08/15/04/1001081504.db2.gz SDXIMPWLGNWDJT-UHFFFAOYSA-N 2 2 422.932 3.541 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cn2c1 ZINC000506090156 1001214273 /nfs/dbraw/zinc/21/42/73/1001214273.db2.gz SBQQBIDGDDIYRR-PMACEKPBSA-N 2 2 414.619 3.989 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cn2c1 ZINC000506090156 1001214281 /nfs/dbraw/zinc/21/42/81/1001214281.db2.gz SBQQBIDGDDIYRR-PMACEKPBSA-N 2 2 414.619 3.989 20 0 HHADLP Cc1ccccc1Nc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000497510902 1001411533 /nfs/dbraw/zinc/41/15/33/1001411533.db2.gz RHEAFCWMGHDSEN-WCRBZPEASA-N 2 2 411.619 3.938 20 0 HHADLP Cc1ccccc1Nc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000497510902 1001411537 /nfs/dbraw/zinc/41/15/37/1001411537.db2.gz RHEAFCWMGHDSEN-WCRBZPEASA-N 2 2 411.619 3.938 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919645 1001593470 /nfs/dbraw/zinc/59/34/70/1001593470.db2.gz UHLQVZWGBZIKJE-ICSRJNTNSA-N 2 2 413.541 3.807 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919645 1001593473 /nfs/dbraw/zinc/59/34/73/1001593473.db2.gz UHLQVZWGBZIKJE-ICSRJNTNSA-N 2 2 413.541 3.807 20 0 HHADLP CC(C)CCOC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000506938267 1001605123 /nfs/dbraw/zinc/60/51/23/1001605123.db2.gz VHNXFEMULCUZEP-UHFFFAOYSA-N 2 2 419.635 3.701 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166246 1001671378 /nfs/dbraw/zinc/67/13/78/1001671378.db2.gz NCUSLXAHQXNWCL-DBVUQKKJSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166246 1001671380 /nfs/dbraw/zinc/67/13/80/1001671380.db2.gz NCUSLXAHQXNWCL-DBVUQKKJSA-N 2 2 422.976 3.742 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(C)C ZINC000507052972 1001783548 /nfs/dbraw/zinc/78/35/48/1001783548.db2.gz KJSLFZVLZNBZIJ-FPOVZHCZSA-N 2 2 403.615 3.865 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097495 1001805556 /nfs/dbraw/zinc/80/55/56/1001805556.db2.gz PMFRECDLSHAEEW-WOJBJXKFSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097495 1001805569 /nfs/dbraw/zinc/80/55/69/1001805569.db2.gz PMFRECDLSHAEEW-WOJBJXKFSA-N 2 2 401.599 3.763 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507116627 1001818838 /nfs/dbraw/zinc/81/88/38/1001818838.db2.gz BNUGQPNRLLVXGH-TZIWHRDSSA-N 2 2 401.599 3.619 20 0 HHADLP CCOC(=O)c1c(C(C)C)csc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000507272822 1001956110 /nfs/dbraw/zinc/95/61/10/1001956110.db2.gz GVWMVAVZQYFSGM-UHFFFAOYSA-N 2 2 424.611 3.538 20 0 HHADLP CCOC(=O)c1c(C(C)C)csc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000507272822 1001956116 /nfs/dbraw/zinc/95/61/16/1001956116.db2.gz GVWMVAVZQYFSGM-UHFFFAOYSA-N 2 2 424.611 3.538 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382071 1002038109 /nfs/dbraw/zinc/03/81/09/1002038109.db2.gz VFXJURUQSGPQRA-SFHVURJKSA-N 2 2 416.616 3.510 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382071 1002038120 /nfs/dbraw/zinc/03/81/20/1002038120.db2.gz VFXJURUQSGPQRA-SFHVURJKSA-N 2 2 416.616 3.510 20 0 HHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000507513267 1002123750 /nfs/dbraw/zinc/12/37/50/1002123750.db2.gz QWBMAPAMJVFKNL-UHFFFAOYSA-N 2 2 402.848 3.939 20 0 HHADLP C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499037528 1002416851 /nfs/dbraw/zinc/41/68/51/1002416851.db2.gz MFBOIHUUQBDADR-INIZCTEOSA-N 2 2 401.601 3.855 20 0 HHADLP C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499037528 1002416860 /nfs/dbraw/zinc/41/68/60/1002416860.db2.gz MFBOIHUUQBDADR-INIZCTEOSA-N 2 2 401.601 3.855 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(C[NH+]4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002541986 /nfs/dbraw/zinc/54/19/86/1002541986.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(C[NH+]4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002541996 /nfs/dbraw/zinc/54/19/96/1002541996.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP C[NH+]1CCC(C)(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000508061447 1002582147 /nfs/dbraw/zinc/58/21/47/1002582147.db2.gz WZUPJNVWHYEQPH-GOSISDBHSA-N 2 2 410.965 3.647 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Sc4ccccn4)cc3)CC2)CC1 ZINC000499417008 1002801208 /nfs/dbraw/zinc/80/12/08/1002801208.db2.gz HEUJQIZRZFNUNZ-UHFFFAOYSA-N 2 2 410.587 3.521 20 0 HHADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000499532860 1002919646 /nfs/dbraw/zinc/91/96/46/1002919646.db2.gz XTASLQRSGJKRFO-LJQANCHMSA-N 2 2 404.514 3.904 20 0 HHADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000499532860 1002919655 /nfs/dbraw/zinc/91/96/55/1002919655.db2.gz XTASLQRSGJKRFO-LJQANCHMSA-N 2 2 404.514 3.904 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508564859 1003032745 /nfs/dbraw/zinc/03/27/45/1003032745.db2.gz DBOZESHLMGOBHM-UHFFFAOYSA-N 2 2 422.554 3.763 20 0 HHADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508632931 1003082948 /nfs/dbraw/zinc/08/29/48/1003082948.db2.gz BAYNEEBERPCPIF-ZRCGQRJVSA-N 2 2 401.595 3.787 20 0 HHADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508632931 1003082940 /nfs/dbraw/zinc/08/29/40/1003082940.db2.gz BAYNEEBERPCPIF-ZRCGQRJVSA-N 2 2 401.595 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000508679593 1003117533 /nfs/dbraw/zinc/11/75/33/1003117533.db2.gz QQJDYERCZNXOQM-CQSZACIVSA-N 2 2 405.333 3.762 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000508679593 1003117539 /nfs/dbraw/zinc/11/75/39/1003117539.db2.gz QQJDYERCZNXOQM-CQSZACIVSA-N 2 2 405.333 3.762 20 0 HHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000508681263 1003119243 /nfs/dbraw/zinc/11/92/43/1003119243.db2.gz UXMQKBFUETWPNH-LJQANCHMSA-N 2 2 406.530 3.857 20 0 HHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000508681263 1003119247 /nfs/dbraw/zinc/11/92/47/1003119247.db2.gz UXMQKBFUETWPNH-LJQANCHMSA-N 2 2 406.530 3.857 20 0 HHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508961824 1003426065 /nfs/dbraw/zinc/42/60/65/1003426065.db2.gz HAYQDJSFRLFUBZ-QGZVFWFLSA-N 2 2 423.527 3.925 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000500203956 1003547605 /nfs/dbraw/zinc/54/76/05/1003547605.db2.gz ZLUHVQQRVHGCCV-USXIJHARSA-N 2 2 417.541 3.862 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000500203956 1003547613 /nfs/dbraw/zinc/54/76/13/1003547613.db2.gz ZLUHVQQRVHGCCV-USXIJHARSA-N 2 2 417.541 3.862 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCOCC1)c1ccccc1 ZINC000500481239 1003740559 /nfs/dbraw/zinc/74/05/59/1003740559.db2.gz AJRJGWNYLQJCDR-FQEVSTJZSA-N 2 2 418.541 3.561 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)s1 ZINC000512007171 1003949811 /nfs/dbraw/zinc/94/98/11/1003949811.db2.gz MIDPREPXFMWTHL-LBPRGKRZSA-N 2 2 419.904 3.640 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000509600876 1003971921 /nfs/dbraw/zinc/97/19/21/1003971921.db2.gz JWQGEOONDUZURB-CMKODMSKSA-N 2 2 413.566 3.831 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)s1 ZINC000512082337 1004008722 /nfs/dbraw/zinc/00/87/22/1004008722.db2.gz ILHIPFBPZWBFCX-QGZVFWFLSA-N 2 2 422.554 3.892 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901346 1004039730 /nfs/dbraw/zinc/03/97/30/1004039730.db2.gz UNNSEMWHEMBUBA-LEWJYISDSA-N 2 2 424.992 3.988 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901346 1004039740 /nfs/dbraw/zinc/03/97/40/1004039740.db2.gz UNNSEMWHEMBUBA-LEWJYISDSA-N 2 2 424.992 3.988 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794656 1004101876 /nfs/dbraw/zinc/10/18/76/1004101876.db2.gz MCHIEGAULJTJJG-MZKRTTBSSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794656 1004101883 /nfs/dbraw/zinc/10/18/83/1004101883.db2.gz MCHIEGAULJTJJG-MZKRTTBSSA-N 2 2 421.589 3.638 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501009294 1004114014 /nfs/dbraw/zinc/11/40/14/1004114014.db2.gz BBYMBCNILSXCCE-LJQANCHMSA-N 2 2 401.942 3.673 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000512238711 1004141597 /nfs/dbraw/zinc/14/15/97/1004141597.db2.gz IFRSEUVHHKPCPO-SFHVURJKSA-N 2 2 407.921 3.510 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000509848153 1004145921 /nfs/dbraw/zinc/14/59/21/1004145921.db2.gz BQPJRRHWXJVNJQ-NHCUHLMSSA-N 2 2 424.589 3.939 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000509848153 1004145926 /nfs/dbraw/zinc/14/59/26/1004145926.db2.gz BQPJRRHWXJVNJQ-NHCUHLMSSA-N 2 2 424.589 3.939 20 0 HHADLP CCC[N@H+](Cc1nc(Cc2ccccc2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280449 1004182254 /nfs/dbraw/zinc/18/22/54/1004182254.db2.gz HVKQPDGGBIDRJY-UHFFFAOYSA-N 2 2 420.561 3.948 20 0 HHADLP CCC[N@@H+](Cc1nc(Cc2ccccc2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280449 1004182259 /nfs/dbraw/zinc/18/22/59/1004182259.db2.gz HVKQPDGGBIDRJY-UHFFFAOYSA-N 2 2 420.561 3.948 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000509908556 1004200826 /nfs/dbraw/zinc/20/08/26/1004200826.db2.gz IJDHDEYWUNBMSW-GTROLIPKSA-N 2 2 422.013 3.856 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000509908556 1004200834 /nfs/dbraw/zinc/20/08/34/1004200834.db2.gz IJDHDEYWUNBMSW-GTROLIPKSA-N 2 2 422.013 3.856 20 0 HHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Br ZINC000512355056 1004241836 /nfs/dbraw/zinc/24/18/36/1004241836.db2.gz PROCAPDCAOWCNE-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Br ZINC000512355056 1004241840 /nfs/dbraw/zinc/24/18/40/1004241840.db2.gz PROCAPDCAOWCNE-UHFFFAOYSA-N 2 2 418.379 3.992 20 0 HHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC(F)F)c1 ZINC000512364638 1004248590 /nfs/dbraw/zinc/24/85/90/1004248590.db2.gz JPLHOEGJXCNUSY-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC(F)F)c1 ZINC000512364638 1004248596 /nfs/dbraw/zinc/24/85/96/1004248596.db2.gz JPLHOEGJXCNUSY-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP CCC(CC)(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000512410202 1004278567 /nfs/dbraw/zinc/27/85/67/1004278567.db2.gz GAMZMPXPPHDTMP-PZJWPPBQSA-N 2 2 409.578 3.869 20 0 HHADLP C[N@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCSC1 ZINC000501207503 1004279575 /nfs/dbraw/zinc/27/95/75/1004279575.db2.gz RZBSHLPUODJBQU-INIZCTEOSA-N 2 2 424.973 3.532 20 0 HHADLP C[N@@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@H]1CCSC1 ZINC000501207503 1004279582 /nfs/dbraw/zinc/27/95/82/1004279582.db2.gz RZBSHLPUODJBQU-INIZCTEOSA-N 2 2 424.973 3.532 20 0 HHADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512413557 1004280887 /nfs/dbraw/zinc/28/08/87/1004280887.db2.gz XPBDXUVAORDVRI-PKTZIBPZSA-N 2 2 421.589 3.747 20 0 HHADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512413557 1004280895 /nfs/dbraw/zinc/28/08/95/1004280895.db2.gz XPBDXUVAORDVRI-PKTZIBPZSA-N 2 2 421.589 3.747 20 0 HHADLP Fc1cccc(Cl)c1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512426878 1004293161 /nfs/dbraw/zinc/29/31/61/1004293161.db2.gz JHMBLZDHORARPD-HXUWFJFHSA-N 2 2 401.957 3.914 20 0 HHADLP Fc1cccc(Cl)c1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512426878 1004293170 /nfs/dbraw/zinc/29/31/70/1004293170.db2.gz JHMBLZDHORARPD-HXUWFJFHSA-N 2 2 401.957 3.914 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+]2CCCC2)o1 ZINC000510148394 1004357981 /nfs/dbraw/zinc/35/79/81/1004357981.db2.gz KYTINSDZXVORTI-SFHVURJKSA-N 2 2 417.579 3.989 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347753 1004360108 /nfs/dbraw/zinc/36/01/08/1004360108.db2.gz AYQWFUZXTZZRBA-YADHBBJMSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347753 1004360117 /nfs/dbraw/zinc/36/01/17/1004360117.db2.gz AYQWFUZXTZZRBA-YADHBBJMSA-N 2 2 412.582 3.672 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611231 1004424870 /nfs/dbraw/zinc/42/48/70/1004424870.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611231 1004424873 /nfs/dbraw/zinc/42/48/73/1004424873.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611231 1004424875 /nfs/dbraw/zinc/42/48/75/1004424875.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611231 1004424883 /nfs/dbraw/zinc/42/48/83/1004424883.db2.gz JAYJFOSZKBMCJD-RAVGUYNFSA-N 3 2 419.613 3.514 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)CC2)nc1 ZINC000512657386 1004467952 /nfs/dbraw/zinc/46/79/52/1004467952.db2.gz BYRHRRQQFVJBIM-QFIPXVFZSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)CC2)nc1 ZINC000512657386 1004467956 /nfs/dbraw/zinc/46/79/56/1004467956.db2.gz BYRHRRQQFVJBIM-QFIPXVFZSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472267 /nfs/dbraw/zinc/47/22/67/1004472267.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661171 1004472271 /nfs/dbraw/zinc/47/22/71/1004472271.db2.gz QFYNDDHECLMNKS-GVAUOCQISA-N 3 2 411.634 3.912 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512662776 1004473148 /nfs/dbraw/zinc/47/31/48/1004473148.db2.gz AOOLIKWYSBKKBP-VXKWHMMOSA-N 2 2 423.649 3.847 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512705441 1004506569 /nfs/dbraw/zinc/50/65/69/1004506569.db2.gz JYBNYYSJPDLSEU-SFTDATJTSA-N 2 2 409.622 3.539 20 0 HHADLP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000510430532 1004561549 /nfs/dbraw/zinc/56/15/49/1004561549.db2.gz PFALOUXHCFSYBX-HYBUGGRVSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000510430532 1004561555 /nfs/dbraw/zinc/56/15/55/1004561555.db2.gz PFALOUXHCFSYBX-HYBUGGRVSA-N 2 2 407.558 3.738 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512807373 1004570992 /nfs/dbraw/zinc/57/09/92/1004570992.db2.gz GMKWSAIFRKWQFZ-RTBURBONSA-N 2 2 411.550 3.737 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512807373 1004570997 /nfs/dbraw/zinc/57/09/97/1004570997.db2.gz GMKWSAIFRKWQFZ-RTBURBONSA-N 2 2 411.550 3.737 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510443957 1004571294 /nfs/dbraw/zinc/57/12/94/1004571294.db2.gz VUCMAOXRLUZTDE-HSZRJFAPSA-N 2 2 400.526 3.722 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000510443957 1004571301 /nfs/dbraw/zinc/57/13/01/1004571301.db2.gz VUCMAOXRLUZTDE-HSZRJFAPSA-N 2 2 400.526 3.722 20 0 HHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 ZINC000512964083 1004732742 /nfs/dbraw/zinc/73/27/42/1004732742.db2.gz LWRVRGATCRCBIG-UHFFFAOYSA-N 2 2 417.575 3.630 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000501792510 1004735295 /nfs/dbraw/zinc/73/52/95/1004735295.db2.gz JSEBMGOMLDBQSI-UHFFFAOYSA-N 2 2 410.002 3.966 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000501792510 1004735303 /nfs/dbraw/zinc/73/53/03/1004735303.db2.gz JSEBMGOMLDBQSI-UHFFFAOYSA-N 2 2 410.002 3.966 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627754 1004763439 /nfs/dbraw/zinc/76/34/39/1004763439.db2.gz FQVWQJNLGBIGJR-UAOJZALGSA-N 2 2 408.949 3.564 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627754 1004763447 /nfs/dbraw/zinc/76/34/47/1004763447.db2.gz FQVWQJNLGBIGJR-UAOJZALGSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627754 1004763455 /nfs/dbraw/zinc/76/34/55/1004763455.db2.gz FQVWQJNLGBIGJR-UAOJZALGSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627754 1004763461 /nfs/dbraw/zinc/76/34/61/1004763461.db2.gz FQVWQJNLGBIGJR-UAOJZALGSA-N 2 2 408.949 3.564 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510644189 1004774581 /nfs/dbraw/zinc/77/45/81/1004774581.db2.gz HBLRRWBAPJDTID-VYOKXSSZSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510644189 1004774587 /nfs/dbraw/zinc/77/45/87/1004774587.db2.gz HBLRRWBAPJDTID-VYOKXSSZSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510644189 1004774590 /nfs/dbraw/zinc/77/45/90/1004774590.db2.gz HBLRRWBAPJDTID-VYOKXSSZSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510644189 1004774594 /nfs/dbraw/zinc/77/45/94/1004774594.db2.gz HBLRRWBAPJDTID-VYOKXSSZSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513066378 1004788107 /nfs/dbraw/zinc/78/81/07/1004788107.db2.gz YVUJNIQMEYEAJY-IBGZPJMESA-N 2 2 407.562 3.658 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000513128663 1004822225 /nfs/dbraw/zinc/82/22/25/1004822225.db2.gz SFAIRFBFCVIOKK-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000513128663 1004822231 /nfs/dbraw/zinc/82/22/31/1004822231.db2.gz SFAIRFBFCVIOKK-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)[C@@H]1c1cnn(C)c1 ZINC000510784631 1004850062 /nfs/dbraw/zinc/85/00/62/1004850062.db2.gz WTNKXUDCBLZDRN-OXJNMPFZSA-N 2 2 406.477 3.647 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)[C@@H]1c1cnn(C)c1 ZINC000510784631 1004850070 /nfs/dbraw/zinc/85/00/70/1004850070.db2.gz WTNKXUDCBLZDRN-OXJNMPFZSA-N 2 2 406.477 3.647 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)[C@@H]1c1cnn(C)c1 ZINC000510784631 1004850076 /nfs/dbraw/zinc/85/00/76/1004850076.db2.gz WTNKXUDCBLZDRN-OXJNMPFZSA-N 2 2 406.477 3.647 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)[C@@H]1c1cnn(C)c1 ZINC000510784631 1004850081 /nfs/dbraw/zinc/85/00/81/1004850081.db2.gz WTNKXUDCBLZDRN-OXJNMPFZSA-N 2 2 406.477 3.647 20 0 HHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000513212360 1004863459 /nfs/dbraw/zinc/86/34/59/1004863459.db2.gz KTFQOAFZLMIESH-UHFFFAOYSA-N 2 2 416.529 3.557 20 0 HHADLP Brc1ccccc1N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513227212 1004870929 /nfs/dbraw/zinc/87/09/29/1004870929.db2.gz OTOBJHIHZQUJKI-KRWDZBQOSA-N 2 2 401.352 3.681 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000513322126 1004911170 /nfs/dbraw/zinc/91/11/70/1004911170.db2.gz PRUVUBGQPJXCGE-IEZKXTBUSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000513322126 1004911171 /nfs/dbraw/zinc/91/11/71/1004911171.db2.gz PRUVUBGQPJXCGE-IEZKXTBUSA-N 2 2 405.586 3.863 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000510912664 1004928510 /nfs/dbraw/zinc/92/85/10/1004928510.db2.gz NEUPYVVRJTVGKE-MSOLQXFVSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000510912664 1004928517 /nfs/dbraw/zinc/92/85/17/1004928517.db2.gz NEUPYVVRJTVGKE-MSOLQXFVSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000510912985 1004928879 /nfs/dbraw/zinc/92/88/79/1004928879.db2.gz NEUPYVVRJTVGKE-ROUUACIJSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000510912985 1004928882 /nfs/dbraw/zinc/92/88/82/1004928882.db2.gz NEUPYVVRJTVGKE-ROUUACIJSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000510943481 1004946784 /nfs/dbraw/zinc/94/67/84/1004946784.db2.gz GDBRRKXSHARWAI-OAQYLSRUSA-N 2 2 419.497 3.643 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000513496145 1004990820 /nfs/dbraw/zinc/99/08/20/1004990820.db2.gz AERUUYZOKFHJKN-UHFFFAOYSA-N 3 2 406.618 3.925 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000513496145 1004990824 /nfs/dbraw/zinc/99/08/24/1004990824.db2.gz AERUUYZOKFHJKN-UHFFFAOYSA-N 3 2 406.618 3.925 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513500128 1004992253 /nfs/dbraw/zinc/99/22/53/1004992253.db2.gz KRHGVHWOODUOIW-VWLOTQADSA-N 2 2 401.558 3.562 20 0 HHADLP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)no1 ZINC000502316054 1005007764 /nfs/dbraw/zinc/00/77/64/1005007764.db2.gz BLTXMYYFIWFWGJ-IBGZPJMESA-N 2 2 407.518 3.869 20 0 HHADLP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)no1 ZINC000502316054 1005007772 /nfs/dbraw/zinc/00/77/72/1005007772.db2.gz BLTXMYYFIWFWGJ-IBGZPJMESA-N 2 2 407.518 3.869 20 0 HHADLP FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502324541 1005013142 /nfs/dbraw/zinc/01/31/42/1005013142.db2.gz DIOSAZDMNOOFSD-AWEZNQCLSA-N 2 2 405.445 3.929 20 0 HHADLP FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502324541 1005013151 /nfs/dbraw/zinc/01/31/51/1005013151.db2.gz DIOSAZDMNOOFSD-AWEZNQCLSA-N 2 2 405.445 3.929 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000513543559 1005014791 /nfs/dbraw/zinc/01/47/91/1005014791.db2.gz VXCOLDQJKCJHLY-UHFFFAOYSA-N 2 2 418.585 3.795 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000513543559 1005014796 /nfs/dbraw/zinc/01/47/96/1005014796.db2.gz VXCOLDQJKCJHLY-UHFFFAOYSA-N 2 2 418.585 3.795 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272839 1005102165 /nfs/dbraw/zinc/10/21/65/1005102165.db2.gz KCOIINLXPNUREU-RBUKOAKNSA-N 2 2 420.601 3.996 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272839 1005102170 /nfs/dbraw/zinc/10/21/70/1005102170.db2.gz KCOIINLXPNUREU-RBUKOAKNSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2C1 ZINC000511272839 1005102175 /nfs/dbraw/zinc/10/21/75/1005102175.db2.gz KCOIINLXPNUREU-RBUKOAKNSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2C1 ZINC000511272839 1005102178 /nfs/dbraw/zinc/10/21/78/1005102178.db2.gz KCOIINLXPNUREU-RBUKOAKNSA-N 2 2 420.601 3.996 20 0 HHADLP CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000511379325 1005148213 /nfs/dbraw/zinc/14/82/13/1005148213.db2.gz DDNGYJILKKYYNO-PKTZIBPZSA-N 2 2 410.949 3.746 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511382435 1005149218 /nfs/dbraw/zinc/14/92/18/1005149218.db2.gz LJAGXZAJFQIYNC-LJQANCHMSA-N 2 2 402.489 3.547 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511382435 1005149221 /nfs/dbraw/zinc/14/92/21/1005149221.db2.gz LJAGXZAJFQIYNC-LJQANCHMSA-N 2 2 402.489 3.547 20 0 HHADLP CN1CCO[C@@H]([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccc(Cl)cc2)C1 ZINC000511398844 1005157634 /nfs/dbraw/zinc/15/76/34/1005157634.db2.gz NCAIQBWKDZPOJA-PKTZIBPZSA-N 2 2 410.949 3.746 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000511411172 1005165006 /nfs/dbraw/zinc/16/50/06/1005165006.db2.gz MVYHIROPAKLSPS-DEOSSOPVSA-N 2 2 406.574 3.585 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000511411172 1005165009 /nfs/dbraw/zinc/16/50/09/1005165009.db2.gz MVYHIROPAKLSPS-DEOSSOPVSA-N 2 2 406.574 3.585 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)CC1 ZINC000502682584 1005178612 /nfs/dbraw/zinc/17/86/12/1005178612.db2.gz CADBXTQXYGEGSX-UHFFFAOYSA-N 2 2 409.578 3.774 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nn1C ZINC000502714041 1005188931 /nfs/dbraw/zinc/18/89/31/1005188931.db2.gz XYQMIATZJQLTIT-OAQYLSRUSA-N 2 2 403.574 3.902 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502758190 1005203877 /nfs/dbraw/zinc/20/38/77/1005203877.db2.gz DEADJAODBIFKRT-RBKXMNCYSA-N 2 2 413.610 3.513 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511545219 1005218054 /nfs/dbraw/zinc/21/80/54/1005218054.db2.gz KBFBOPWXMFJHJU-FQEVSTJZSA-N 2 2 400.320 3.941 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000511576445 1005230936 /nfs/dbraw/zinc/23/09/36/1005230936.db2.gz CBXOVYHZFQONHW-ROUUACIJSA-N 2 2 402.583 3.680 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)Cc3ccccc3Cl)CC2)CC1 ZINC000502959343 1005292866 /nfs/dbraw/zinc/29/28/66/1005292866.db2.gz YYFFVVCDCTYWQY-UHFFFAOYSA-N 2 2 407.002 3.519 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000514157278 1005293500 /nfs/dbraw/zinc/29/35/00/1005293500.db2.gz CRHUFBGPZDJDDM-IBGZPJMESA-N 2 2 413.522 3.709 20 0 HHADLP Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000502967188 1005295870 /nfs/dbraw/zinc/29/58/70/1005295870.db2.gz AULKNVVRUTUITO-IBGZPJMESA-N 2 2 409.549 3.662 20 0 HHADLP Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000502967188 1005295875 /nfs/dbraw/zinc/29/58/75/1005295875.db2.gz AULKNVVRUTUITO-IBGZPJMESA-N 2 2 409.549 3.662 20 0 HHADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cs2)cc1 ZINC000514246453 1005331918 /nfs/dbraw/zinc/33/19/18/1005331918.db2.gz LQJRXHRSXGOLFV-QFIPXVFZSA-N 2 2 423.582 3.887 20 0 HHADLP Cc1ccc(OCc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cs2)cc1 ZINC000514246453 1005331921 /nfs/dbraw/zinc/33/19/21/1005331921.db2.gz LQJRXHRSXGOLFV-QFIPXVFZSA-N 2 2 423.582 3.887 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000503074506 1005339254 /nfs/dbraw/zinc/33/92/54/1005339254.db2.gz LLLLGQXWQNOFLW-SFHVURJKSA-N 2 2 404.514 3.772 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000503074506 1005339259 /nfs/dbraw/zinc/33/92/59/1005339259.db2.gz LLLLGQXWQNOFLW-SFHVURJKSA-N 2 2 404.514 3.772 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076836 1005340687 /nfs/dbraw/zinc/34/06/87/1005340687.db2.gz ZLSFOZZLJABOIG-FDDCHVKYSA-N 2 2 406.530 3.586 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076836 1005340688 /nfs/dbraw/zinc/34/06/88/1005340688.db2.gz ZLSFOZZLJABOIG-FDDCHVKYSA-N 2 2 406.530 3.586 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000503306274 1005387324 /nfs/dbraw/zinc/38/73/24/1005387324.db2.gz YFVIJHNBWVHYHU-UHFFFAOYSA-N 2 2 404.986 3.577 20 0 HHADLP O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375692 1005401684 /nfs/dbraw/zinc/40/16/84/1005401684.db2.gz LWXASZFSHKHBSK-IFMALSPDSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375692 1005401685 /nfs/dbraw/zinc/40/16/85/1005401685.db2.gz LWXASZFSHKHBSK-IFMALSPDSA-N 2 2 405.542 3.992 20 0 HHADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c(OC)c1 ZINC000503381095 1005403438 /nfs/dbraw/zinc/40/34/38/1005403438.db2.gz ZZKLFRJHDXEZQG-MRXNPFEDSA-N 2 2 423.517 3.666 20 0 HHADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c(OC)c1 ZINC000503381095 1005403441 /nfs/dbraw/zinc/40/34/41/1005403441.db2.gz ZZKLFRJHDXEZQG-MRXNPFEDSA-N 2 2 423.517 3.666 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439677 1005420769 /nfs/dbraw/zinc/42/07/69/1005420769.db2.gz KNXRHKFPHMEHGU-RTBURBONSA-N 2 2 410.562 3.627 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439677 1005420772 /nfs/dbraw/zinc/42/07/72/1005420772.db2.gz KNXRHKFPHMEHGU-RTBURBONSA-N 2 2 410.562 3.627 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503445732 1005422662 /nfs/dbraw/zinc/42/26/62/1005422662.db2.gz GLUKHQCVYBYCHR-HSZRJFAPSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503468056 1005429589 /nfs/dbraw/zinc/42/95/89/1005429589.db2.gz HWPLSNJMOBSVSD-NRFANRHFSA-N 2 2 409.578 3.729 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000504290209 1005590657 /nfs/dbraw/zinc/59/06/57/1005590657.db2.gz RWARISMFKVJQKU-UHFFFAOYSA-N 2 2 416.957 3.501 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000514406700 1005975185 /nfs/dbraw/zinc/97/51/85/1005975185.db2.gz KSVSZLSMMCHVGP-HXUWFJFHSA-N 2 2 411.550 3.535 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213598 1006208842 /nfs/dbraw/zinc/20/88/42/1006208842.db2.gz PTWMSZWEXYTQRS-MSOLQXFVSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213598 1006208850 /nfs/dbraw/zinc/20/88/50/1006208850.db2.gz PTWMSZWEXYTQRS-MSOLQXFVSA-N 2 2 412.500 3.905 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251941 1006260785 /nfs/dbraw/zinc/26/07/85/1006260785.db2.gz VWJDFNPOIRLOBL-UZLBHIALSA-N 2 2 419.932 3.715 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251941 1006260791 /nfs/dbraw/zinc/26/07/91/1006260791.db2.gz VWJDFNPOIRLOBL-UZLBHIALSA-N 2 2 419.932 3.715 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360708 1006323999 /nfs/dbraw/zinc/32/39/99/1006323999.db2.gz PMFSREHYBMRPDH-ZEQRLZLVSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360708 1006324011 /nfs/dbraw/zinc/32/40/11/1006324011.db2.gz PMFSREHYBMRPDH-ZEQRLZLVSA-N 2 2 415.622 3.779 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360880 1006325988 /nfs/dbraw/zinc/32/59/88/1006325988.db2.gz RIHPKVAZWDZQOL-DHIUTWEWSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360880 1006326000 /nfs/dbraw/zinc/32/60/00/1006326000.db2.gz RIHPKVAZWDZQOL-DHIUTWEWSA-N 2 2 415.622 3.812 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376293 1006344464 /nfs/dbraw/zinc/34/44/64/1006344464.db2.gz ZOUHEVNFQJNXAQ-AGILITTLSA-N 2 2 414.638 3.986 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376293 1006344471 /nfs/dbraw/zinc/34/44/71/1006344471.db2.gz ZOUHEVNFQJNXAQ-AGILITTLSA-N 2 2 414.638 3.986 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382143 1006353849 /nfs/dbraw/zinc/35/38/49/1006353849.db2.gz OFGYZZKSYNAQQE-LEWJYISDSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382143 1006353858 /nfs/dbraw/zinc/35/38/58/1006353858.db2.gz OFGYZZKSYNAQQE-LEWJYISDSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382143 1006353866 /nfs/dbraw/zinc/35/38/66/1006353866.db2.gz OFGYZZKSYNAQQE-LEWJYISDSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382143 1006353872 /nfs/dbraw/zinc/35/38/72/1006353872.db2.gz OFGYZZKSYNAQQE-LEWJYISDSA-N 2 2 424.992 3.986 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383064 1006355608 /nfs/dbraw/zinc/35/56/08/1006355608.db2.gz GAOSHTRTGFFPAI-DNVJHFABSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383064 1006355619 /nfs/dbraw/zinc/35/56/19/1006355619.db2.gz GAOSHTRTGFFPAI-DNVJHFABSA-N 2 2 416.585 3.792 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384894 1006357397 /nfs/dbraw/zinc/35/73/97/1006357397.db2.gz RUKINWWAUZRUIP-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384894 1006357411 /nfs/dbraw/zinc/35/74/11/1006357411.db2.gz RUKINWWAUZRUIP-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3CCc4ccccc4C3)n2)C1 ZINC000515385317 1006430764 /nfs/dbraw/zinc/43/07/64/1006430764.db2.gz XJTKURZZBSQMNM-KRWDZBQOSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3CCc4ccccc4C3)n2)C1 ZINC000515385317 1006430770 /nfs/dbraw/zinc/43/07/70/1006430770.db2.gz XJTKURZZBSQMNM-KRWDZBQOSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)n2)C1 ZINC000515385317 1006430776 /nfs/dbraw/zinc/43/07/76/1006430776.db2.gz XJTKURZZBSQMNM-KRWDZBQOSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)n2)C1 ZINC000515385317 1006430785 /nfs/dbraw/zinc/43/07/85/1006430785.db2.gz XJTKURZZBSQMNM-KRWDZBQOSA-N 2 2 413.591 3.555 20 0 HHADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505836 1006503616 /nfs/dbraw/zinc/50/36/16/1006503616.db2.gz UHMVTYBJHAMIEF-BJKOFHAPSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505836 1006503630 /nfs/dbraw/zinc/50/36/30/1006503630.db2.gz UHMVTYBJHAMIEF-BJKOFHAPSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505836 1006503643 /nfs/dbraw/zinc/50/36/43/1006503643.db2.gz UHMVTYBJHAMIEF-BJKOFHAPSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505836 1006503654 /nfs/dbraw/zinc/50/36/54/1006503654.db2.gz UHMVTYBJHAMIEF-BJKOFHAPSA-N 2 2 403.570 3.632 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1 ZINC000531936875 1006531812 /nfs/dbraw/zinc/53/18/12/1006531812.db2.gz KVZXLEAQFAIJQJ-MRXNPFEDSA-N 2 2 416.363 3.688 20 0 HHADLP Cc1c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965630 1006550198 /nfs/dbraw/zinc/55/01/98/1006550198.db2.gz IULGAGIYLCRUTO-HYBUGGRVSA-N 2 2 418.589 3.523 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000532042572 1006596594 /nfs/dbraw/zinc/59/65/94/1006596594.db2.gz ZCBAKMPUWQEPJV-UHFFFAOYSA-N 3 2 417.601 3.796 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352038 1006618851 /nfs/dbraw/zinc/61/88/51/1006618851.db2.gz OREDEORHZWONCB-NHCUHLMSSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352038 1006618860 /nfs/dbraw/zinc/61/88/60/1006618860.db2.gz OREDEORHZWONCB-NHCUHLMSSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000515742938 1006634276 /nfs/dbraw/zinc/63/42/76/1006634276.db2.gz AZWYJRAISPYAMM-QFIPXVFZSA-N 2 2 421.589 3.703 20 0 HHADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000515742938 1006634287 /nfs/dbraw/zinc/63/42/87/1006634287.db2.gz AZWYJRAISPYAMM-QFIPXVFZSA-N 2 2 421.589 3.703 20 0 HHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000515767364 1006658122 /nfs/dbraw/zinc/65/81/22/1006658122.db2.gz BXZZCVWEZXOFLI-FPOVZHCZSA-N 2 2 416.013 3.902 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000538442925 1006710260 /nfs/dbraw/zinc/71/02/60/1006710260.db2.gz MBWWUFUTIUPPLF-WMZOPIPTSA-N 2 2 416.595 3.830 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000538442925 1006710272 /nfs/dbraw/zinc/71/02/72/1006710272.db2.gz MBWWUFUTIUPPLF-WMZOPIPTSA-N 2 2 416.595 3.830 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000532236698 1006741621 /nfs/dbraw/zinc/74/16/21/1006741621.db2.gz ZGGBKUPPAZZFJO-INIZCTEOSA-N 2 2 415.965 3.755 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891649 1006742649 /nfs/dbraw/zinc/74/26/49/1006742649.db2.gz WWBLDILYZZRIDE-ZEQRLZLVSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891649 1006742661 /nfs/dbraw/zinc/74/26/61/1006742661.db2.gz WWBLDILYZZRIDE-ZEQRLZLVSA-N 2 2 422.573 3.571 20 0 HHADLP COc1cc(F)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000538590172 1006857756 /nfs/dbraw/zinc/85/77/56/1006857756.db2.gz IPBOUBWEUHCRGD-OAHLLOKOSA-N 2 2 402.514 3.941 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532539682 1006975682 /nfs/dbraw/zinc/97/56/82/1006975682.db2.gz LKIAJNXYRISPPT-UHFFFAOYSA-N 2 2 409.596 3.532 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532539682 1006975694 /nfs/dbraw/zinc/97/56/94/1006975694.db2.gz LKIAJNXYRISPPT-UHFFFAOYSA-N 2 2 409.596 3.532 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000516271842 1006985055 /nfs/dbraw/zinc/98/50/55/1006985055.db2.gz HWJHQSKSGJCXQG-OAQYLSRUSA-N 2 2 413.472 3.561 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCCC1 ZINC000516277652 1006991545 /nfs/dbraw/zinc/99/15/45/1006991545.db2.gz FCQRSJSMNLLGCF-OAQYLSRUSA-N 2 2 401.530 3.711 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1)[NH+]1CCOCC1 ZINC000534966493 1007020044 /nfs/dbraw/zinc/02/00/44/1007020044.db2.gz XVUGTMJDUMBOND-KRWDZBQOSA-N 2 2 414.525 3.602 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534975550 1007033531 /nfs/dbraw/zinc/03/35/31/1007033531.db2.gz GSBWIZHXAIWVIO-OXQOHEQNSA-N 2 2 419.932 3.668 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534975550 1007033544 /nfs/dbraw/zinc/03/35/44/1007033544.db2.gz GSBWIZHXAIWVIO-OXQOHEQNSA-N 2 2 419.932 3.668 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095655 1007111645 /nfs/dbraw/zinc/11/16/45/1007111645.db2.gz LYMDCRMWQBVQKW-DHIUTWEWSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095655 1007111654 /nfs/dbraw/zinc/11/16/54/1007111654.db2.gz LYMDCRMWQBVQKW-DHIUTWEWSA-N 2 2 419.585 3.780 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000516503558 1007113372 /nfs/dbraw/zinc/11/33/72/1007113372.db2.gz PAJBKQGPTAQYNI-NQIIRXRSSA-N 2 2 400.592 3.575 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110046 1007135399 /nfs/dbraw/zinc/13/53/99/1007135399.db2.gz HIDXZXLTUIVAHM-RTWAWAEBSA-N 2 2 406.640 3.789 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110046 1007135406 /nfs/dbraw/zinc/13/54/06/1007135406.db2.gz HIDXZXLTUIVAHM-RTWAWAEBSA-N 2 2 406.640 3.789 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115093 1007142904 /nfs/dbraw/zinc/14/29/04/1007142904.db2.gz CTYYIFIEVJJUDS-CDNPAEQRSA-N 2 2 416.610 3.735 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115093 1007142911 /nfs/dbraw/zinc/14/29/11/1007142911.db2.gz CTYYIFIEVJJUDS-CDNPAEQRSA-N 2 2 416.610 3.735 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121895 1007154722 /nfs/dbraw/zinc/15/47/22/1007154722.db2.gz RPBWJUBEHVNQCI-BDTNDASRSA-N 2 2 401.599 3.511 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121895 1007154733 /nfs/dbraw/zinc/15/47/33/1007154733.db2.gz RPBWJUBEHVNQCI-BDTNDASRSA-N 2 2 401.599 3.511 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000532760660 1007166065 /nfs/dbraw/zinc/16/60/65/1007166065.db2.gz ZCEDWLRSTLDDHV-LJQANCHMSA-N 2 2 421.570 3.567 20 0 HHADLP O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000532760660 1007166074 /nfs/dbraw/zinc/16/60/74/1007166074.db2.gz ZCEDWLRSTLDDHV-LJQANCHMSA-N 2 2 421.570 3.567 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265445 1007314162 /nfs/dbraw/zinc/31/41/62/1007314162.db2.gz INWHZMDHTKEKDG-NJYVYQBISA-N 2 2 416.928 3.710 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265445 1007314175 /nfs/dbraw/zinc/31/41/75/1007314175.db2.gz INWHZMDHTKEKDG-NJYVYQBISA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265445 1007314196 /nfs/dbraw/zinc/31/41/96/1007314196.db2.gz INWHZMDHTKEKDG-NJYVYQBISA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535265445 1007314207 /nfs/dbraw/zinc/31/42/07/1007314207.db2.gz INWHZMDHTKEKDG-NJYVYQBISA-N 2 2 416.928 3.710 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045277 1007342677 /nfs/dbraw/zinc/34/26/77/1007342677.db2.gz ILPILWMNFPAYSL-TVTNDZMWSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045277 1007342689 /nfs/dbraw/zinc/34/26/89/1007342689.db2.gz ILPILWMNFPAYSL-TVTNDZMWSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069981 1007362586 /nfs/dbraw/zinc/36/25/86/1007362586.db2.gz BXVYWVSKONDJJT-OXQOHEQNSA-N 2 2 401.938 3.549 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069981 1007362598 /nfs/dbraw/zinc/36/25/98/1007362598.db2.gz BXVYWVSKONDJJT-OXQOHEQNSA-N 2 2 401.938 3.549 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115030 1007402112 /nfs/dbraw/zinc/40/21/12/1007402112.db2.gz ILIMXZSEPJHYOL-PMACEKPBSA-N 2 2 410.965 3.788 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115030 1007402117 /nfs/dbraw/zinc/40/21/17/1007402117.db2.gz ILIMXZSEPJHYOL-PMACEKPBSA-N 2 2 410.965 3.788 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539155563 1007454180 /nfs/dbraw/zinc/45/41/80/1007454180.db2.gz PMDZJDYBEGSSEZ-VQTJNVASSA-N 2 2 421.948 3.899 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539155563 1007454186 /nfs/dbraw/zinc/45/41/86/1007454186.db2.gz PMDZJDYBEGSSEZ-VQTJNVASSA-N 2 2 421.948 3.899 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000517151596 1007463708 /nfs/dbraw/zinc/46/37/08/1007463708.db2.gz IKSQJERUQGBCPG-DEOSSOPVSA-N 2 2 408.590 3.638 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000517151596 1007463716 /nfs/dbraw/zinc/46/37/16/1007463716.db2.gz IKSQJERUQGBCPG-DEOSSOPVSA-N 2 2 408.590 3.638 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170090 1007509583 /nfs/dbraw/zinc/50/95/83/1007509583.db2.gz RNCOTPGQZPDMIM-IPMKNSEASA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170090 1007509594 /nfs/dbraw/zinc/50/95/94/1007509594.db2.gz RNCOTPGQZPDMIM-IPMKNSEASA-N 2 2 424.973 3.888 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000517227121 1007512305 /nfs/dbraw/zinc/51/23/05/1007512305.db2.gz AHTFXTYUCXEQNA-YADHBBJMSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000517227121 1007512311 /nfs/dbraw/zinc/51/23/11/1007512311.db2.gz AHTFXTYUCXEQNA-YADHBBJMSA-N 2 2 414.594 3.813 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533171972 1007512652 /nfs/dbraw/zinc/51/26/52/1007512652.db2.gz AFKHMBWIORNZNB-OALUTQOASA-N 2 2 407.921 3.509 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533171972 1007512674 /nfs/dbraw/zinc/51/26/74/1007512674.db2.gz AFKHMBWIORNZNB-OALUTQOASA-N 2 2 407.921 3.509 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172690 1007513812 /nfs/dbraw/zinc/51/38/12/1007513812.db2.gz YZYASGWUTMFZPW-NHCUHLMSSA-N 2 2 422.976 3.931 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172690 1007513816 /nfs/dbraw/zinc/51/38/16/1007513816.db2.gz YZYASGWUTMFZPW-NHCUHLMSSA-N 2 2 422.976 3.931 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173184 1007515500 /nfs/dbraw/zinc/51/55/00/1007515500.db2.gz QSZNGOJUYXHCJP-VQTJNVASSA-N 2 2 410.965 3.788 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173184 1007515504 /nfs/dbraw/zinc/51/55/04/1007515504.db2.gz QSZNGOJUYXHCJP-VQTJNVASSA-N 2 2 410.965 3.788 20 0 HHADLP CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1 ZINC000539225586 1007517445 /nfs/dbraw/zinc/51/74/45/1007517445.db2.gz DFYQIJGNVYNTPK-INIZCTEOSA-N 2 2 402.564 3.815 20 0 HHADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1 ZINC000539225613 1007517942 /nfs/dbraw/zinc/51/79/42/1007517942.db2.gz DFYQIJGNVYNTPK-MRXNPFEDSA-N 2 2 402.564 3.815 20 0 HHADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000539261137 1007557105 /nfs/dbraw/zinc/55/71/05/1007557105.db2.gz LJDIQMOKXIKMFX-VWLOTQADSA-N 2 2 423.601 3.820 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000533265343 1007582040 /nfs/dbraw/zinc/58/20/40/1007582040.db2.gz WLNHVSDILUYLQS-SZPZYZBQSA-N 2 2 420.601 3.929 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000533265343 1007582050 /nfs/dbraw/zinc/58/20/50/1007582050.db2.gz WLNHVSDILUYLQS-SZPZYZBQSA-N 2 2 420.601 3.929 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655537 1007668007 /nfs/dbraw/zinc/66/80/07/1007668007.db2.gz QVTMPGLETFXMCF-FGZHOGPDSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000535655537 1007668013 /nfs/dbraw/zinc/66/80/13/1007668013.db2.gz QVTMPGLETFXMCF-FGZHOGPDSA-N 2 2 402.583 3.805 20 0 HHADLP CCC[N@H+](Cc1csc(C(=O)OCC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533380050 1007693069 /nfs/dbraw/zinc/69/30/69/1007693069.db2.gz BINJBZQQTQLQGZ-UHFFFAOYSA-N 2 2 417.579 3.608 20 0 HHADLP CCC[N@@H+](Cc1csc(C(=O)OCC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533380050 1007693076 /nfs/dbraw/zinc/69/30/76/1007693076.db2.gz BINJBZQQTQLQGZ-UHFFFAOYSA-N 2 2 417.579 3.608 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)CC1 ZINC000517503590 1007725582 /nfs/dbraw/zinc/72/55/82/1007725582.db2.gz ZBMGAKOJWGTZSW-UHFFFAOYSA-N 2 2 404.624 3.567 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540879 1007757367 /nfs/dbraw/zinc/75/73/67/1007757367.db2.gz LUCFIPUVRLCEQB-KNQAVFIVSA-N 2 2 407.562 3.707 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540879 1007757379 /nfs/dbraw/zinc/75/73/79/1007757379.db2.gz LUCFIPUVRLCEQB-KNQAVFIVSA-N 2 2 407.562 3.707 20 0 HHADLP COc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OCC(F)(F)F ZINC000533444008 1007759091 /nfs/dbraw/zinc/75/90/91/1007759091.db2.gz UYOHERRPZGNJOB-KRWDZBQOSA-N 2 2 424.467 3.784 20 0 HHADLP O=C(C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533489127 1007799728 /nfs/dbraw/zinc/79/97/28/1007799728.db2.gz ISMGGPBNNWKTHW-RUZDIDTESA-N 2 2 419.569 3.999 20 0 HHADLP O=C(C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533489127 1007799737 /nfs/dbraw/zinc/79/97/37/1007799737.db2.gz ISMGGPBNNWKTHW-RUZDIDTESA-N 2 2 419.569 3.999 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855572 1007869651 /nfs/dbraw/zinc/86/96/51/1007869651.db2.gz MRNILSOXUTXNCQ-YFXJRYMSSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855572 1007869662 /nfs/dbraw/zinc/86/96/62/1007869662.db2.gz MRNILSOXUTXNCQ-YFXJRYMSSA-N 2 2 403.586 3.800 20 0 HHADLP FC(F)Oc1c(Br)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000533559147 1007873344 /nfs/dbraw/zinc/87/33/44/1007873344.db2.gz NPKNEFYGUQFZAP-UHFFFAOYSA-N 2 2 419.310 3.595 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878717 1007897154 /nfs/dbraw/zinc/89/71/54/1007897154.db2.gz ZNZDJXPTULEVBT-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878717 1007897162 /nfs/dbraw/zinc/89/71/62/1007897162.db2.gz ZNZDJXPTULEVBT-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650276 1007962079 /nfs/dbraw/zinc/96/20/79/1007962079.db2.gz VHDTZIBOPFTTAB-RTBURBONSA-N 2 2 415.578 3.516 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650276 1007962083 /nfs/dbraw/zinc/96/20/83/1007962083.db2.gz VHDTZIBOPFTTAB-RTBURBONSA-N 2 2 415.578 3.516 20 0 HHADLP O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000539655672 1007972211 /nfs/dbraw/zinc/97/22/11/1007972211.db2.gz TVJMLHXQGBJYGL-VWLOTQADSA-N 2 2 405.586 3.911 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cncn2)cc1Cl ZINC000539658912 1007975496 /nfs/dbraw/zinc/97/54/96/1007975496.db2.gz KAGLQZWFRIRHTO-CRAIPNDOSA-N 2 2 411.941 3.629 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662184 1007977680 /nfs/dbraw/zinc/97/76/80/1007977680.db2.gz CRSXEHSYVOFOPY-FCHUYYIVSA-N 2 2 418.651 3.757 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662184 1007977685 /nfs/dbraw/zinc/97/76/85/1007977685.db2.gz CRSXEHSYVOFOPY-FCHUYYIVSA-N 2 2 418.651 3.757 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662438 1007978130 /nfs/dbraw/zinc/97/81/30/1007978130.db2.gz HPAMHJMCSBZYCJ-FCHUYYIVSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662438 1007978137 /nfs/dbraw/zinc/97/81/37/1007978137.db2.gz HPAMHJMCSBZYCJ-FCHUYYIVSA-N 2 2 404.574 3.613 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665317 1007980300 /nfs/dbraw/zinc/98/03/00/1007980300.db2.gz WVJJNUSNTCUQQQ-STZQEDGTSA-N 2 2 404.599 3.579 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665317 1007980310 /nfs/dbraw/zinc/98/03/10/1007980310.db2.gz WVJJNUSNTCUQQQ-STZQEDGTSA-N 2 2 404.599 3.579 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672328 1007990364 /nfs/dbraw/zinc/99/03/64/1007990364.db2.gz KEWHDQKBNLDCDQ-JRGCBEDISA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672328 1007990385 /nfs/dbraw/zinc/99/03/85/1007990385.db2.gz KEWHDQKBNLDCDQ-JRGCBEDISA-N 2 2 406.640 3.658 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535981892 1008021957 /nfs/dbraw/zinc/02/19/57/1008021957.db2.gz BSQHNFKPVMGKMF-RTWAWAEBSA-N 2 2 412.688 3.744 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535981892 1008021965 /nfs/dbraw/zinc/02/19/65/1008021965.db2.gz BSQHNFKPVMGKMF-RTWAWAEBSA-N 2 2 412.688 3.744 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000536017882 1008057432 /nfs/dbraw/zinc/05/74/32/1008057432.db2.gz MJRQMHLJVYUZDZ-GOSISDBHSA-N 2 2 400.592 3.705 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539746062 1008061720 /nfs/dbraw/zinc/06/17/20/1008061720.db2.gz CNJPQBUIGFMHHL-UHFFFAOYSA-N 2 2 420.479 3.515 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000539746062 1008061728 /nfs/dbraw/zinc/06/17/28/1008061728.db2.gz CNJPQBUIGFMHHL-UHFFFAOYSA-N 2 2 420.479 3.515 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768226 1008093833 /nfs/dbraw/zinc/09/38/33/1008093833.db2.gz SGFUWHMSBURWRK-WOIUINJBSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785979 1008108675 /nfs/dbraw/zinc/10/86/75/1008108675.db2.gz AWHBKTUUQKZDGJ-DOTOQJQBSA-N 2 2 423.424 3.935 20 0 HHADLP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785979 1008108677 /nfs/dbraw/zinc/10/86/77/1008108677.db2.gz AWHBKTUUQKZDGJ-DOTOQJQBSA-N 2 2 423.424 3.935 20 0 HHADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC000518351758 1008272750 /nfs/dbraw/zinc/27/27/50/1008272750.db2.gz QFQJMIVHHUMUHO-IBGZPJMESA-N 2 2 411.377 3.884 20 0 HHADLP CC(C)[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000518359099 1008275913 /nfs/dbraw/zinc/27/59/13/1008275913.db2.gz QIOONPSNEAVGIP-OAQYLSRUSA-N 2 2 413.566 3.840 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180763 1008325410 /nfs/dbraw/zinc/32/54/10/1008325410.db2.gz CLHNFRCQAOKUMR-OXQOHEQNSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180763 1008325413 /nfs/dbraw/zinc/32/54/13/1008325413.db2.gz CLHNFRCQAOKUMR-OXQOHEQNSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000540303945 1008373280 /nfs/dbraw/zinc/37/32/80/1008373280.db2.gz ZINGGNBRAVIEKR-LAUBAEHRSA-N 2 2 411.981 3.866 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000540423184 1008427173 /nfs/dbraw/zinc/42/71/73/1008427173.db2.gz KKZIZGHFQUORDE-FQEVSTJZSA-N 2 2 415.541 3.533 20 0 HHADLP C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540431152 1008430426 /nfs/dbraw/zinc/43/04/26/1008430426.db2.gz XBRGRYICXQVHMX-LJQANCHMSA-N 2 2 424.564 3.612 20 0 HHADLP C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540431152 1008430430 /nfs/dbraw/zinc/43/04/30/1008430430.db2.gz XBRGRYICXQVHMX-LJQANCHMSA-N 2 2 424.564 3.612 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912014 1008470465 /nfs/dbraw/zinc/47/04/65/1008470465.db2.gz BSUTWRPRTSCGPN-JXFKEZNVSA-N 2 2 402.564 3.566 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549961 1008477163 /nfs/dbraw/zinc/47/71/63/1008477163.db2.gz QOWFGRZRMPBIJU-SFTDATJTSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549961 1008477164 /nfs/dbraw/zinc/47/71/64/1008477164.db2.gz QOWFGRZRMPBIJU-SFTDATJTSA-N 2 2 418.630 3.730 20 0 HHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000518967127 1008489667 /nfs/dbraw/zinc/48/96/67/1008489667.db2.gz BMTMKZJGWFJONV-FQEVSTJZSA-N 2 2 411.594 3.674 20 0 HHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000518967127 1008489670 /nfs/dbraw/zinc/48/96/70/1008489670.db2.gz BMTMKZJGWFJONV-FQEVSTJZSA-N 2 2 411.594 3.674 20 0 HHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000542985683 1008563588 /nfs/dbraw/zinc/56/35/88/1008563588.db2.gz HNZGKTFYQLMXAJ-UHFFFAOYSA-N 2 2 401.599 3.725 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519191205 1008592539 /nfs/dbraw/zinc/59/25/39/1008592539.db2.gz MLPIMBFXAMFWKB-ROUUACIJSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000519196916 1008598811 /nfs/dbraw/zinc/59/88/11/1008598811.db2.gz VUSSASFVLFFTQB-LJQANCHMSA-N 2 2 400.567 3.562 20 0 HHADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543042882 1008625273 /nfs/dbraw/zinc/62/52/73/1008625273.db2.gz POCHGHGZCPXQMN-QHCPKHFHSA-N 2 2 409.578 3.922 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106833 1008680030 /nfs/dbraw/zinc/68/00/30/1008680030.db2.gz DGIDTPHRNNJYEK-LEWJYISDSA-N 2 2 404.599 3.987 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106833 1008680036 /nfs/dbraw/zinc/68/00/36/1008680036.db2.gz DGIDTPHRNNJYEK-LEWJYISDSA-N 2 2 404.599 3.987 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106843 1008680140 /nfs/dbraw/zinc/68/01/40/1008680140.db2.gz DIVBFQHPRJVAQO-NMNUPHIUSA-N 2 2 401.595 3.594 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106843 1008680149 /nfs/dbraw/zinc/68/01/49/1008680149.db2.gz DIVBFQHPRJVAQO-NMNUPHIUSA-N 2 2 401.595 3.594 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000549324700 1008903056 /nfs/dbraw/zinc/90/30/56/1008903056.db2.gz MOCDSJCILBGEFR-UHFFFAOYSA-N 2 2 407.558 3.639 20 0 HHADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)c1 ZINC000543323293 1008904440 /nfs/dbraw/zinc/90/44/40/1008904440.db2.gz JXFRYSQWGYTELP-HXUWFJFHSA-N 2 2 407.562 3.545 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543323941 1008905395 /nfs/dbraw/zinc/90/53/95/1008905395.db2.gz JLVJIELKVQFBNE-NRFANRHFSA-N 2 2 424.589 3.789 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000545916744 1008994970 /nfs/dbraw/zinc/99/49/70/1008994970.db2.gz NRGUQJZAVVHAPX-AWEZNQCLSA-N 2 2 415.347 3.526 20 0 HHADLP Cc1cc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccnc2)ccc1F ZINC000543406554 1009001137 /nfs/dbraw/zinc/00/11/37/1009001137.db2.gz KCARMGNRGFMUQG-DEOSSOPVSA-N 2 2 405.521 3.555 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545939567 1009010475 /nfs/dbraw/zinc/01/04/75/1009010475.db2.gz LEADMFTXHRSIMB-STQMWFEESA-N 2 2 404.527 3.863 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000545954635 1009017342 /nfs/dbraw/zinc/01/73/42/1009017342.db2.gz YDTICULXVZRMTF-CVDCTZTESA-N 2 2 416.525 3.906 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)s1 ZINC000543485386 1009072701 /nfs/dbraw/zinc/07/27/01/1009072701.db2.gz KJYVFHNCZXCBAR-MRXNPFEDSA-N 2 2 414.015 3.594 20 0 HHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000546307209 1009324341 /nfs/dbraw/zinc/32/43/41/1009324341.db2.gz HVXPSAUPCGGNLW-QHCPKHFHSA-N 2 2 400.530 3.795 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000543810205 1009372133 /nfs/dbraw/zinc/37/21/33/1009372133.db2.gz GPVBZGKIMQGIQS-DJJJIMSYSA-N 2 2 413.319 3.820 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000543810206 1009372507 /nfs/dbraw/zinc/37/25/07/1009372507.db2.gz GPVBZGKIMQGIQS-ORAYPTAESA-N 2 2 413.319 3.820 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000543876450 1009448891 /nfs/dbraw/zinc/44/88/91/1009448891.db2.gz LGBCVKYZDWIEAC-IBGZPJMESA-N 2 2 410.965 3.571 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000543876450 1009448899 /nfs/dbraw/zinc/44/88/99/1009448899.db2.gz LGBCVKYZDWIEAC-IBGZPJMESA-N 2 2 410.965 3.571 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000550221502 1009787236 /nfs/dbraw/zinc/78/72/36/1009787236.db2.gz SKUAZEXBWQQJAU-FQEVSTJZSA-N 2 2 409.559 3.629 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544187583 1009790238 /nfs/dbraw/zinc/79/02/38/1009790238.db2.gz SOZLPKMLTHSXNT-INIZCTEOSA-N 2 2 418.588 3.815 20 0 HHADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000544256768 1009869620 /nfs/dbraw/zinc/86/96/20/1009869620.db2.gz CURMWWWZPCVWQP-PUHATCMVSA-N 2 2 406.574 3.707 20 0 HHADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000544256768 1009869639 /nfs/dbraw/zinc/86/96/39/1009869639.db2.gz CURMWWWZPCVWQP-PUHATCMVSA-N 2 2 406.574 3.707 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351096 1009976435 /nfs/dbraw/zinc/97/64/35/1009976435.db2.gz KCPWPMAWOFALPB-HNAYVOBHSA-N 2 2 403.368 3.854 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351096 1009976440 /nfs/dbraw/zinc/97/64/40/1009976440.db2.gz KCPWPMAWOFALPB-HNAYVOBHSA-N 2 2 403.368 3.854 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000544411843 1010030376 /nfs/dbraw/zinc/03/03/76/1010030376.db2.gz GTCSOPHSGVLXQG-NRFANRHFSA-N 2 2 408.571 3.681 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000550662096 1010089703 /nfs/dbraw/zinc/08/97/03/1010089703.db2.gz QDNIOXUUDQOERG-QFBILLFUSA-N 2 2 407.377 3.725 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000550662096 1010089717 /nfs/dbraw/zinc/08/97/17/1010089717.db2.gz QDNIOXUUDQOERG-QFBILLFUSA-N 2 2 407.377 3.725 20 0 HHADLP CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000544469400 1010092853 /nfs/dbraw/zinc/09/28/53/1010092853.db2.gz NFHYVBXFAOHWJP-OAHLLOKOSA-N 2 2 404.605 3.544 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)cc2)C[C@H](C)O1 ZINC000544579762 1010207575 /nfs/dbraw/zinc/20/75/75/1010207575.db2.gz DAMLEMJOYZYZBI-OHUGHZGNSA-N 2 2 402.542 3.965 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)cc2)C[C@H](C)O1 ZINC000544579762 1010207585 /nfs/dbraw/zinc/20/75/85/1010207585.db2.gz DAMLEMJOYZYZBI-OHUGHZGNSA-N 2 2 402.542 3.965 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)cc2)C[C@@H](C)O1 ZINC000544579763 1010207811 /nfs/dbraw/zinc/20/78/11/1010207811.db2.gz DAMLEMJOYZYZBI-UMEGOILYSA-N 2 2 402.542 3.965 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000521203374 1010226747 /nfs/dbraw/zinc/22/67/47/1010226747.db2.gz WGXLURKDZRVXOI-TZIWHRDSSA-N 2 2 401.576 3.569 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000547325950 1010253422 /nfs/dbraw/zinc/25/34/22/1010253422.db2.gz KHOKHACHCNVAQN-FQEVSTJZSA-N 3 2 401.595 3.568 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000547325950 1010253438 /nfs/dbraw/zinc/25/34/38/1010253438.db2.gz KHOKHACHCNVAQN-FQEVSTJZSA-N 3 2 401.595 3.568 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688577 1010301700 /nfs/dbraw/zinc/30/17/00/1010301700.db2.gz VAVMABKKLQERQR-IXFUEQBVSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688577 1010301714 /nfs/dbraw/zinc/30/17/14/1010301714.db2.gz VAVMABKKLQERQR-IXFUEQBVSA-N 2 2 422.658 3.560 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000551556734 1010659036 /nfs/dbraw/zinc/65/90/36/1010659036.db2.gz UXOMWCDZRQJAMW-WMLDXEAASA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000551556734 1010659045 /nfs/dbraw/zinc/65/90/45/1010659045.db2.gz UXOMWCDZRQJAMW-WMLDXEAASA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000545205233 1010682909 /nfs/dbraw/zinc/68/29/09/1010682909.db2.gz JZZFXFCGFUSMNK-UHFFFAOYSA-N 3 2 422.013 3.559 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000522282455 1010904751 /nfs/dbraw/zinc/90/47/51/1010904751.db2.gz HCCPJTCFVTVMII-RXVVDRJESA-N 2 2 415.607 3.614 20 0 HHADLP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000522915376 1011362232 /nfs/dbraw/zinc/36/22/32/1011362232.db2.gz FMVDEXNNDBNAJZ-UHFFFAOYSA-N 2 2 424.932 3.799 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719389 1011371565 /nfs/dbraw/zinc/37/15/65/1011371565.db2.gz KLGMCCMYEOJKCO-MOPGFXCFSA-N 2 2 407.921 3.507 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719389 1011371575 /nfs/dbraw/zinc/37/15/75/1011371575.db2.gz KLGMCCMYEOJKCO-MOPGFXCFSA-N 2 2 407.921 3.507 20 0 HHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000522938214 1011381291 /nfs/dbraw/zinc/38/12/91/1011381291.db2.gz UUUCSXRJNJLQCF-IBGZPJMESA-N 2 2 409.599 3.929 20 0 HHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000522938214 1011381303 /nfs/dbraw/zinc/38/13/03/1011381303.db2.gz UUUCSXRJNJLQCF-IBGZPJMESA-N 2 2 409.599 3.929 20 0 HHADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235700 1011386240 /nfs/dbraw/zinc/38/62/40/1011386240.db2.gz YUOHTFPHMRDMOQ-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235700 1011386245 /nfs/dbraw/zinc/38/62/45/1011386245.db2.gz YUOHTFPHMRDMOQ-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000540810920 1011471985 /nfs/dbraw/zinc/47/19/85/1011471985.db2.gz GTLFWWIVBBQCJW-UHFFFAOYSA-N 2 2 418.541 3.935 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380282 1011588828 /nfs/dbraw/zinc/58/88/28/1011588828.db2.gz ZOHHETMJZZMFDT-YADHBBJMSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380282 1011588838 /nfs/dbraw/zinc/58/88/38/1011588838.db2.gz ZOHHETMJZZMFDT-YADHBBJMSA-N 2 2 412.965 3.825 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523128710 1011596216 /nfs/dbraw/zinc/59/62/16/1011596216.db2.gz LERYNGUJMPAKGQ-HSALFYBXSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523128710 1011596231 /nfs/dbraw/zinc/59/62/31/1011596231.db2.gz LERYNGUJMPAKGQ-HSALFYBXSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC000523128710 1011596245 /nfs/dbraw/zinc/59/62/45/1011596245.db2.gz LERYNGUJMPAKGQ-HSALFYBXSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC000523128710 1011596256 /nfs/dbraw/zinc/59/62/56/1011596256.db2.gz LERYNGUJMPAKGQ-HSALFYBXSA-N 2 2 407.558 3.681 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c2C1 ZINC000540963090 1011604714 /nfs/dbraw/zinc/60/47/14/1011604714.db2.gz PSUDEBFQMFHGBT-DEOSSOPVSA-N 2 2 416.569 3.954 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c2C1 ZINC000540963090 1011604720 /nfs/dbraw/zinc/60/47/20/1011604720.db2.gz PSUDEBFQMFHGBT-DEOSSOPVSA-N 2 2 416.569 3.954 20 0 HHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000541090337 1011734400 /nfs/dbraw/zinc/73/44/00/1011734400.db2.gz OCLBSDCWBJWMCG-UHFFFAOYSA-N 2 2 415.561 3.671 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541110403 1011758713 /nfs/dbraw/zinc/75/87/13/1011758713.db2.gz YYVVEFWQQYUCSQ-OALUTQOASA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541110403 1011758721 /nfs/dbraw/zinc/75/87/21/1011758721.db2.gz YYVVEFWQQYUCSQ-OALUTQOASA-N 2 2 421.948 3.897 20 0 HHADLP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541179094 1011852116 /nfs/dbraw/zinc/85/21/16/1011852116.db2.gz ITPVXBYFYPKOTP-UHFFFAOYSA-N 2 2 423.605 3.792 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541185032 1011857591 /nfs/dbraw/zinc/85/75/91/1011857591.db2.gz RTSNTAMTWLZVAE-XUZZJYLKSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541185032 1011857610 /nfs/dbraw/zinc/85/76/10/1011857610.db2.gz RTSNTAMTWLZVAE-XUZZJYLKSA-N 2 2 423.605 3.996 20 0 HHADLP CC(C)n1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000541212677 1011883855 /nfs/dbraw/zinc/88/38/55/1011883855.db2.gz VOJNTGNKAARWNZ-IBGZPJMESA-N 2 2 404.002 3.850 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c(C)c1 ZINC000536840406 1012070839 /nfs/dbraw/zinc/07/08/39/1012070839.db2.gz QONPUQNPOGKCEC-PGRDOPGGSA-N 2 2 412.559 3.964 20 0 HHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000536842792 1012072264 /nfs/dbraw/zinc/07/22/64/1012072264.db2.gz AXZGJIMMIGFNBC-SLFFLAALSA-N 2 2 400.485 3.750 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000536853520 1012086242 /nfs/dbraw/zinc/08/62/42/1012086242.db2.gz SHULTYAYQBIKKM-NRFANRHFSA-N 2 2 421.354 3.918 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000536867017 1012104763 /nfs/dbraw/zinc/10/47/63/1012104763.db2.gz AZCDQTRFCVKWTC-VABKMULXSA-N 2 2 421.589 3.516 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398952 1012127142 /nfs/dbraw/zinc/12/71/42/1012127142.db2.gz WIRXKVWMJXQXSJ-YADHBBJMSA-N 2 2 408.590 3.782 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000536895157 1012148734 /nfs/dbraw/zinc/14/87/34/1012148734.db2.gz YQJKNJTYHCBCAH-CALCHBBNSA-N 2 2 403.954 3.983 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000536895157 1012148736 /nfs/dbraw/zinc/14/87/36/1012148736.db2.gz YQJKNJTYHCBCAH-CALCHBBNSA-N 2 2 403.954 3.983 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597340 1012159702 /nfs/dbraw/zinc/15/97/02/1012159702.db2.gz ZUAAHKYDBBVGAD-AVRDEDQJSA-N 2 2 416.516 3.531 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597340 1012159718 /nfs/dbraw/zinc/15/97/18/1012159718.db2.gz ZUAAHKYDBBVGAD-AVRDEDQJSA-N 2 2 416.516 3.531 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597341 1012159980 /nfs/dbraw/zinc/15/99/80/1012159980.db2.gz ZUAAHKYDBBVGAD-GCJKJVERSA-N 2 2 416.516 3.531 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597341 1012159995 /nfs/dbraw/zinc/15/99/95/1012159995.db2.gz ZUAAHKYDBBVGAD-GCJKJVERSA-N 2 2 416.516 3.531 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536904186 1012164563 /nfs/dbraw/zinc/16/45/63/1012164563.db2.gz IMFXQTTUKJIDPZ-WOJBJXKFSA-N 2 2 410.965 3.786 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536904186 1012164578 /nfs/dbraw/zinc/16/45/78/1012164578.db2.gz IMFXQTTUKJIDPZ-WOJBJXKFSA-N 2 2 410.965 3.786 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000536933882 1012224118 /nfs/dbraw/zinc/22/41/18/1012224118.db2.gz QFTNCUPIMLXRLQ-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000536933882 1012224124 /nfs/dbraw/zinc/22/41/24/1012224124.db2.gz QFTNCUPIMLXRLQ-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942337 1012237554 /nfs/dbraw/zinc/23/75/54/1012237554.db2.gz GHRCHULRTJOZGB-WCIQWLHISA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942337 1012237565 /nfs/dbraw/zinc/23/75/65/1012237565.db2.gz GHRCHULRTJOZGB-WCIQWLHISA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942337 1012237578 /nfs/dbraw/zinc/23/75/78/1012237578.db2.gz GHRCHULRTJOZGB-WCIQWLHISA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942337 1012237596 /nfs/dbraw/zinc/23/75/96/1012237596.db2.gz GHRCHULRTJOZGB-WCIQWLHISA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962886 1012255495 /nfs/dbraw/zinc/25/54/95/1012255495.db2.gz HYQSANJVIRZKPD-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962886 1012255504 /nfs/dbraw/zinc/25/55/04/1012255504.db2.gz HYQSANJVIRZKPD-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962886 1012255520 /nfs/dbraw/zinc/25/55/20/1012255520.db2.gz HYQSANJVIRZKPD-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962886 1012255531 /nfs/dbraw/zinc/25/55/31/1012255531.db2.gz HYQSANJVIRZKPD-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666877 1012263055 /nfs/dbraw/zinc/26/30/55/1012263055.db2.gz DUUNEDYVVAZFSZ-ZRCGQRJVSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666877 1012263076 /nfs/dbraw/zinc/26/30/76/1012263076.db2.gz DUUNEDYVVAZFSZ-ZRCGQRJVSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666877 1012263096 /nfs/dbraw/zinc/26/30/96/1012263096.db2.gz DUUNEDYVVAZFSZ-ZRCGQRJVSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666877 1012263117 /nfs/dbraw/zinc/26/31/17/1012263117.db2.gz DUUNEDYVVAZFSZ-ZRCGQRJVSA-N 2 2 422.573 3.542 20 0 HHADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541532680 1012315275 /nfs/dbraw/zinc/31/52/75/1012315275.db2.gz MNSXVARAWBGJQQ-QFIPXVFZSA-N 2 2 412.553 3.953 20 0 HHADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541532680 1012315292 /nfs/dbraw/zinc/31/52/92/1012315292.db2.gz MNSXVARAWBGJQQ-QFIPXVFZSA-N 2 2 412.553 3.953 20 0 HHADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2cccnc2)cc1 ZINC000541547215 1012332724 /nfs/dbraw/zinc/33/27/24/1012332724.db2.gz CXDSLSOZDJOMKB-RUZDIDTESA-N 2 2 421.516 3.811 20 0 HHADLP Fc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2cccnc2)cc1 ZINC000541547216 1012333016 /nfs/dbraw/zinc/33/30/16/1012333016.db2.gz CXDSLSOZDJOMKB-VWLOTQADSA-N 2 2 421.516 3.811 20 0 HHADLP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000552330920 1012338547 /nfs/dbraw/zinc/33/85/47/1012338547.db2.gz RRVLPPTUJMJDKR-QHCPKHFHSA-N 2 2 417.557 3.834 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000537032020 1012345723 /nfs/dbraw/zinc/34/57/23/1012345723.db2.gz SCVBRGFXCHZEIR-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000537032020 1012345737 /nfs/dbraw/zinc/34/57/37/1012345737.db2.gz SCVBRGFXCHZEIR-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)c2)cc[nH+]1 ZINC000541680303 1012514820 /nfs/dbraw/zinc/51/48/20/1012514820.db2.gz DEUPOFFGPVGPSO-UHFFFAOYSA-N 2 2 421.520 3.740 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000541732966 1012587134 /nfs/dbraw/zinc/58/71/34/1012587134.db2.gz CEQKNSQEXQJULS-SESVDKBCSA-N 2 2 401.576 3.752 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+]2CCCC2)o1 ZINC000523939468 1012673253 /nfs/dbraw/zinc/67/32/53/1012673253.db2.gz ODOFOBSHLTYXKX-FQEVSTJZSA-N 2 2 411.481 3.549 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000537259445 1012709315 /nfs/dbraw/zinc/70/93/15/1012709315.db2.gz OHGQGTRJODMKBJ-JOCHJYFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000537259445 1012709324 /nfs/dbraw/zinc/70/93/24/1012709324.db2.gz OHGQGTRJODMKBJ-JOCHJYFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000537259445 1012709339 /nfs/dbraw/zinc/70/93/39/1012709339.db2.gz OHGQGTRJODMKBJ-JOCHJYFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000537259445 1012709343 /nfs/dbraw/zinc/70/93/43/1012709343.db2.gz OHGQGTRJODMKBJ-JOCHJYFZSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294681 1012752516 /nfs/dbraw/zinc/75/25/16/1012752516.db2.gz FNQVRCFRWRYWCD-IIBYNOLFSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294681 1012752528 /nfs/dbraw/zinc/75/25/28/1012752528.db2.gz FNQVRCFRWRYWCD-IIBYNOLFSA-N 2 2 419.363 3.745 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2)CC1 ZINC000524037696 1012787687 /nfs/dbraw/zinc/78/76/87/1012787687.db2.gz IHKRWMBXYFSSOD-UHFFFAOYSA-N 2 2 409.921 3.920 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000552818071 1012827571 /nfs/dbraw/zinc/82/75/71/1012827571.db2.gz YJDBBZVDNNYRFD-DHIUTWEWSA-N 2 2 418.541 3.894 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542030472 1012927681 /nfs/dbraw/zinc/92/76/81/1012927681.db2.gz BMHMVNQWIBMIPF-GOTSBHOMSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542030472 1012927697 /nfs/dbraw/zinc/92/76/97/1012927697.db2.gz BMHMVNQWIBMIPF-GOTSBHOMSA-N 2 2 413.610 3.761 20 0 HHADLP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000542049022 1012957201 /nfs/dbraw/zinc/95/72/01/1012957201.db2.gz NLVNBAVYXGUQSK-OAQYLSRUSA-N 2 2 405.583 3.581 20 0 HHADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000542049022 1012957207 /nfs/dbraw/zinc/95/72/07/1012957207.db2.gz NLVNBAVYXGUQSK-OAQYLSRUSA-N 2 2 405.583 3.581 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](Cc3ccccn3)c3cccnc3)[nH+]c2)CC1 ZINC000537485812 1012996190 /nfs/dbraw/zinc/99/61/90/1012996190.db2.gz GKTZUSINEISGGV-QHCPKHFHSA-N 2 2 402.546 3.798 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C[C@H](C)O1 ZINC000553026042 1013001548 /nfs/dbraw/zinc/00/15/48/1013001548.db2.gz YTWKANOBYLDQBS-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C[C@H](C)O1 ZINC000553026042 1013001567 /nfs/dbraw/zinc/00/15/67/1013001567.db2.gz YTWKANOBYLDQBS-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683891 1071805047 /nfs/dbraw/zinc/80/50/47/1071805047.db2.gz FNFMEJJIQBGOKV-NHCUHLMSSA-N 2 2 416.949 3.880 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683891 1071805050 /nfs/dbraw/zinc/80/50/50/1071805050.db2.gz FNFMEJJIQBGOKV-NHCUHLMSSA-N 2 2 416.949 3.880 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1OC ZINC000568771261 1071944703 /nfs/dbraw/zinc/94/47/03/1071944703.db2.gz OCCCWWPOPXNRPD-BBRMVZONSA-N 2 2 412.559 3.991 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@@H+]1CCc3c(C[NH+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272621 1072076736 /nfs/dbraw/zinc/07/67/36/1072076736.db2.gz IKTMJESRNBKRNW-JOCHJYFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@H+]1CCc3c(C[NH+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272621 1072076751 /nfs/dbraw/zinc/07/67/51/1072076751.db2.gz IKTMJESRNBKRNW-JOCHJYFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCc3c(C[N@H+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272621 1072076759 /nfs/dbraw/zinc/07/67/59/1072076759.db2.gz IKTMJESRNBKRNW-JOCHJYFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272621 1072076770 /nfs/dbraw/zinc/07/67/70/1072076770.db2.gz IKTMJESRNBKRNW-JOCHJYFZSA-N 2 2 403.526 3.841 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000612211213 1072462838 /nfs/dbraw/zinc/46/28/38/1072462838.db2.gz LFHKLLOBARCBNZ-UHFFFAOYSA-N 2 2 412.603 3.761 20 0 HHADLP Cc1[nH+]cc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000571095145 1072560883 /nfs/dbraw/zinc/56/08/83/1072560883.db2.gz DJGMTKVHGGMHSM-VWLOTQADSA-N 2 2 415.585 3.573 20 0 HHADLP Cc1[nH+]cc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000571095145 1072560888 /nfs/dbraw/zinc/56/08/88/1072560888.db2.gz DJGMTKVHGGMHSM-VWLOTQADSA-N 2 2 415.585 3.573 20 0 HHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000571408830 1072614810 /nfs/dbraw/zinc/61/48/10/1072614810.db2.gz CIANZLMEOPONDV-RTBURBONSA-N 2 2 413.562 3.740 20 0 HHADLP CN1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000571484917 1072634044 /nfs/dbraw/zinc/63/40/44/1072634044.db2.gz GYDJJIMWDZIJSZ-DNQXCXABSA-N 2 2 414.544 3.512 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709815 1073155383 /nfs/dbraw/zinc/15/53/83/1073155383.db2.gz DTPAEMDXFTVWEY-OAGGEKHMSA-N 2 2 411.949 3.627 20 0 HHADLP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccccc21 ZINC000555232911 1073276718 /nfs/dbraw/zinc/27/67/18/1073276718.db2.gz PRSTYNASXKNNEF-BWAGFHJFSA-N 2 2 408.546 3.816 20 0 HHADLP CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008219 1073447608 /nfs/dbraw/zinc/44/76/08/1073447608.db2.gz UZOXFIIKWPJPNN-JXALWOEJSA-N 2 2 409.574 3.605 20 0 HHADLP CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008219 1073447616 /nfs/dbraw/zinc/44/76/16/1073447616.db2.gz UZOXFIIKWPJPNN-JXALWOEJSA-N 2 2 409.574 3.605 20 0 HHADLP CC[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008219 1073447620 /nfs/dbraw/zinc/44/76/20/1073447620.db2.gz UZOXFIIKWPJPNN-JXALWOEJSA-N 2 2 409.574 3.605 20 0 HHADLP CC[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008219 1073447625 /nfs/dbraw/zinc/44/76/25/1073447625.db2.gz UZOXFIIKWPJPNN-JXALWOEJSA-N 2 2 409.574 3.605 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097201 1074110229 /nfs/dbraw/zinc/11/02/29/1074110229.db2.gz BEJAHIIBWLFAJC-DQEYMECFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097201 1074110233 /nfs/dbraw/zinc/11/02/33/1074110233.db2.gz BEJAHIIBWLFAJC-DQEYMECFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097201 1074110238 /nfs/dbraw/zinc/11/02/38/1074110238.db2.gz BEJAHIIBWLFAJC-DQEYMECFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097201 1074110242 /nfs/dbraw/zinc/11/02/42/1074110242.db2.gz BEJAHIIBWLFAJC-DQEYMECFSA-N 2 2 422.617 3.565 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000591069247 1074115428 /nfs/dbraw/zinc/11/54/28/1074115428.db2.gz PBGJZWYBIFTSJI-FQEVSTJZSA-N 2 2 422.573 3.865 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000591069247 1074115432 /nfs/dbraw/zinc/11/54/32/1074115432.db2.gz PBGJZWYBIFTSJI-FQEVSTJZSA-N 2 2 422.573 3.865 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)n1-c1ccccc1 ZINC000568237353 1074142753 /nfs/dbraw/zinc/14/27/53/1074142753.db2.gz YZIANYFNMIYGSY-HSZRJFAPSA-N 2 2 417.557 3.959 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)n1-c1ccccc1 ZINC000568237353 1074142755 /nfs/dbraw/zinc/14/27/55/1074142755.db2.gz YZIANYFNMIYGSY-HSZRJFAPSA-N 2 2 417.557 3.959 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432692 1074294582 /nfs/dbraw/zinc/29/45/82/1074294582.db2.gz LNGPRXSIVCNFRI-AZUAARDMSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432692 1074294588 /nfs/dbraw/zinc/29/45/88/1074294588.db2.gz LNGPRXSIVCNFRI-AZUAARDMSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000591432692 1074294592 /nfs/dbraw/zinc/29/45/92/1074294592.db2.gz LNGPRXSIVCNFRI-AZUAARDMSA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[N@H+]2CCc3sccc3C2)cc1 ZINC000591432692 1074294597 /nfs/dbraw/zinc/29/45/97/1074294597.db2.gz LNGPRXSIVCNFRI-AZUAARDMSA-N 2 2 415.628 3.637 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000591523834 1074365129 /nfs/dbraw/zinc/36/51/29/1074365129.db2.gz NDOJQZBKTKYWPL-HXUWFJFHSA-N 2 2 410.562 3.676 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591557737 1074406848 /nfs/dbraw/zinc/40/68/48/1074406848.db2.gz VMZPVLRIZSPZFK-YLJYHZDGSA-N 2 2 422.976 3.886 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000591562268 1074410409 /nfs/dbraw/zinc/41/04/09/1074410409.db2.gz FBVOPYRZVGRQFS-NRFANRHFSA-N 2 2 406.590 3.970 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000591562268 1074410412 /nfs/dbraw/zinc/41/04/12/1074410412.db2.gz FBVOPYRZVGRQFS-NRFANRHFSA-N 2 2 406.590 3.970 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000591562269 1074410487 /nfs/dbraw/zinc/41/04/87/1074410487.db2.gz FBVOPYRZVGRQFS-OAQYLSRUSA-N 2 2 406.590 3.970 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000591562269 1074410491 /nfs/dbraw/zinc/41/04/91/1074410491.db2.gz FBVOPYRZVGRQFS-OAQYLSRUSA-N 2 2 406.590 3.970 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000594053244 1075249173 /nfs/dbraw/zinc/24/91/73/1075249173.db2.gz FFGIHBNVKYOLMW-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000594053244 1075249176 /nfs/dbraw/zinc/24/91/76/1075249176.db2.gz FFGIHBNVKYOLMW-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344380 1075603500 /nfs/dbraw/zinc/60/35/00/1075603500.db2.gz VLMWZWBFYRFWSL-OALUTQOASA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344380 1075603503 /nfs/dbraw/zinc/60/35/03/1075603503.db2.gz VLMWZWBFYRFWSL-OALUTQOASA-N 2 2 410.965 3.616 20 0 HHADLP CN(C(=O)c1cccc(OCc2cccs2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472290 1075617747 /nfs/dbraw/zinc/61/77/47/1075617747.db2.gz GXXLAWJKLLIFFP-HXUWFJFHSA-N 2 2 413.587 3.568 20 0 HHADLP CN(C(=O)c1cccc(OCc2cccs2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472290 1075617748 /nfs/dbraw/zinc/61/77/48/1075617748.db2.gz GXXLAWJKLLIFFP-HXUWFJFHSA-N 2 2 413.587 3.568 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473780 1075618644 /nfs/dbraw/zinc/61/86/44/1075618644.db2.gz IKYXWERWYHQEQZ-FQEVSTJZSA-N 2 2 409.599 3.754 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473780 1075618648 /nfs/dbraw/zinc/61/86/48/1075618648.db2.gz IKYXWERWYHQEQZ-FQEVSTJZSA-N 2 2 409.599 3.754 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)[NH+]2CCCC2)o1 ZINC000597735412 1075696563 /nfs/dbraw/zinc/69/65/63/1075696563.db2.gz FFZRDBMZODHFMY-HXUWFJFHSA-N 2 2 416.591 3.518 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204677 1075713306 /nfs/dbraw/zinc/71/33/06/1075713306.db2.gz WPNQPLRQWAQITF-NFBKMPQASA-N 2 2 409.599 3.805 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204677 1075713308 /nfs/dbraw/zinc/71/33/08/1075713308.db2.gz WPNQPLRQWAQITF-NFBKMPQASA-N 2 2 409.599 3.805 20 0 HHADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)cc1 ZINC001164674020 719514926 /nfs/dbraw/zinc/51/49/26/719514926.db2.gz YYODRRXAYDBSFM-UHFFFAOYSA-N 2 2 410.537 3.692 20 0 HHADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)cc1 ZINC001164674020 719514940 /nfs/dbraw/zinc/51/49/40/719514940.db2.gz YYODRRXAYDBSFM-UHFFFAOYSA-N 2 2 410.537 3.692 20 0 HHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685574 719671123 /nfs/dbraw/zinc/67/11/23/719671123.db2.gz VLTZUQBEVIEHOT-LJQANCHMSA-N 2 2 424.564 3.623 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1F ZINC001164841368 720640408 /nfs/dbraw/zinc/64/04/08/720640408.db2.gz SFEMGQMQACPHAE-CNNODRBYSA-N 2 2 423.536 3.957 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1F ZINC001164841368 720640438 /nfs/dbraw/zinc/64/04/38/720640438.db2.gz SFEMGQMQACPHAE-CNNODRBYSA-N 2 2 423.536 3.957 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164738353 720827405 /nfs/dbraw/zinc/82/74/05/720827405.db2.gz DXAYFZRLLAWALH-QZNHQXDQSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164738353 720827406 /nfs/dbraw/zinc/82/74/06/720827406.db2.gz DXAYFZRLLAWALH-QZNHQXDQSA-N 2 2 402.546 3.514 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(C)C)c[nH+]1)CC2 ZINC001164784943 721461027 /nfs/dbraw/zinc/46/10/27/721461027.db2.gz KXUGXQKFNZQXIY-JOCHJYFZSA-N 2 2 401.595 3.939 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(C)C)c[nH+]1)CC2 ZINC001164784943 721461028 /nfs/dbraw/zinc/46/10/28/721461028.db2.gz KXUGXQKFNZQXIY-JOCHJYFZSA-N 2 2 401.595 3.939 20 0 HHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC(C)C ZINC001164904418 721582769 /nfs/dbraw/zinc/58/27/69/721582769.db2.gz QCPWKPLILXYEKA-NRFANRHFSA-N 2 2 416.520 3.738 20 0 HHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NC(C)C ZINC001164904418 721582772 /nfs/dbraw/zinc/58/27/72/721582772.db2.gz QCPWKPLILXYEKA-NRFANRHFSA-N 2 2 416.520 3.738 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164937288 721919838 /nfs/dbraw/zinc/91/98/38/721919838.db2.gz AUFASBIXUHTOQD-UHFFFAOYSA-N 2 2 409.578 3.785 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164937288 721919840 /nfs/dbraw/zinc/91/98/40/721919840.db2.gz AUFASBIXUHTOQD-UHFFFAOYSA-N 2 2 409.578 3.785 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)cc1 ZINC001164939957 721930468 /nfs/dbraw/zinc/93/04/68/721930468.db2.gz PERSLRYANXXFFF-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2)cc1 ZINC001164939957 721930471 /nfs/dbraw/zinc/93/04/71/721930471.db2.gz PERSLRYANXXFFF-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981022 722136338 /nfs/dbraw/zinc/13/63/38/722136338.db2.gz OIEWMOQJVSZKGV-LADGPHEKSA-N 2 2 421.589 3.955 20 0 HHADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981022 722136343 /nfs/dbraw/zinc/13/63/43/722136343.db2.gz OIEWMOQJVSZKGV-LADGPHEKSA-N 2 2 421.589 3.955 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1F ZINC001164971738 722154561 /nfs/dbraw/zinc/15/45/61/722154561.db2.gz FCDJYOXMBBDTJW-CVDCTZTESA-N 2 2 422.504 3.505 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1F ZINC001164971738 722154562 /nfs/dbraw/zinc/15/45/62/722154562.db2.gz FCDJYOXMBBDTJW-CVDCTZTESA-N 2 2 422.504 3.505 20 0 HHADLP Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc(C2CCCCC2)[nH+]1 ZINC001165001653 722255632 /nfs/dbraw/zinc/25/56/32/722255632.db2.gz FESRZZQXFXZVFZ-UHFFFAOYSA-N 2 2 412.582 3.518 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301221270 970815881 /nfs/dbraw/zinc/81/58/81/970815881.db2.gz AGNCQGTUHNIYKB-QHAWAJNXSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301221270 970815894 /nfs/dbraw/zinc/81/58/94/970815894.db2.gz AGNCQGTUHNIYKB-QHAWAJNXSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301221270 970815905 /nfs/dbraw/zinc/81/59/05/970815905.db2.gz AGNCQGTUHNIYKB-QHAWAJNXSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301221270 970815917 /nfs/dbraw/zinc/81/59/17/970815917.db2.gz AGNCQGTUHNIYKB-QHAWAJNXSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221005 970816357 /nfs/dbraw/zinc/81/63/57/970816357.db2.gz AFHNHIILUCUJAV-TXTKFYIRSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221005 970816364 /nfs/dbraw/zinc/81/63/64/970816364.db2.gz AFHNHIILUCUJAV-TXTKFYIRSA-N 2 2 423.605 3.775 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541531 1013056659 /nfs/dbraw/zinc/05/66/59/1013056659.db2.gz RDFCLSCWYIIREX-JMJGKCIBSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541531 1013056676 /nfs/dbraw/zinc/05/66/76/1013056676.db2.gz RDFCLSCWYIIREX-JMJGKCIBSA-N 2 2 422.658 3.559 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000302690559 971281169 /nfs/dbraw/zinc/28/11/69/971281169.db2.gz ZJCUNKQEKDSFRW-HXUWFJFHSA-N 2 2 418.541 3.861 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000302690559 971281179 /nfs/dbraw/zinc/28/11/79/971281179.db2.gz ZJCUNKQEKDSFRW-HXUWFJFHSA-N 2 2 418.541 3.861 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc[nH+]1 ZINC000302870109 971364009 /nfs/dbraw/zinc/36/40/09/971364009.db2.gz BAVKHVSCODYZJY-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2ccccc2C[NH+]2CCCCCC2)[nH+]cn1 ZINC000302870109 971364015 /nfs/dbraw/zinc/36/40/15/971364015.db2.gz BAVKHVSCODYZJY-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178766 1013117272 /nfs/dbraw/zinc/11/72/72/1013117272.db2.gz JJSCUNAHTIYTGT-RTBURBONSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178766 1013117280 /nfs/dbraw/zinc/11/72/80/1013117280.db2.gz JJSCUNAHTIYTGT-RTBURBONSA-N 2 2 409.521 3.697 20 0 HHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000303791442 972030601 /nfs/dbraw/zinc/03/06/01/972030601.db2.gz UYHBSPZTWCKGBN-LAUBAEHRSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000303791442 972030607 /nfs/dbraw/zinc/03/06/07/972030607.db2.gz UYHBSPZTWCKGBN-LAUBAEHRSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791442 972030618 /nfs/dbraw/zinc/03/06/18/972030618.db2.gz UYHBSPZTWCKGBN-LAUBAEHRSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791442 972030624 /nfs/dbraw/zinc/03/06/24/972030624.db2.gz UYHBSPZTWCKGBN-LAUBAEHRSA-N 2 2 410.949 3.833 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCC1 ZINC000553177960 1013137182 /nfs/dbraw/zinc/13/71/82/1013137182.db2.gz WLNNSNNEPLSWRY-YADHBBJMSA-N 2 2 418.541 3.894 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)c1 ZINC000537606885 1013147440 /nfs/dbraw/zinc/14/74/40/1013147440.db2.gz WZUOQNVJWLIEGP-OAQYLSRUSA-N 2 2 401.507 3.585 20 0 HHADLP CC(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000542256855 1013216426 /nfs/dbraw/zinc/21/64/26/1013216426.db2.gz DMWDMMZVZYPBIP-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000542256855 1013216430 /nfs/dbraw/zinc/21/64/30/1013216430.db2.gz DMWDMMZVZYPBIP-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP Clc1ccc([C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCOCC2)cc1 ZINC000542322455 1013277665 /nfs/dbraw/zinc/27/76/65/1013277665.db2.gz KBHWAHGDLXDBPF-FQEVSTJZSA-N 2 2 402.951 3.750 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000017310196 963185490 /nfs/dbraw/zinc/18/54/90/963185490.db2.gz SSRVDQJFGFAZCB-UHFFFAOYSA-N 2 2 417.513 3.933 20 0 HHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000023626471 963865251 /nfs/dbraw/zinc/86/52/51/963865251.db2.gz LTJOVZAKAOQDHO-OALUTQOASA-N 2 2 411.546 3.536 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050797786 964399831 /nfs/dbraw/zinc/39/98/31/964399831.db2.gz GSOXKPWHIUYSKG-IBGZPJMESA-N 2 2 401.595 3.561 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)CC1 ZINC000050802421 964401851 /nfs/dbraw/zinc/40/18/51/964401851.db2.gz TZMDSCKWOLIMQW-UHFFFAOYSA-N 2 2 418.541 3.783 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000051240000 964504040 /nfs/dbraw/zinc/50/40/40/964504040.db2.gz XBTPVFSWLJIAGM-AWEZNQCLSA-N 2 2 413.393 3.912 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000026365001 964540841 /nfs/dbraw/zinc/54/08/41/964540841.db2.gz VOFOUZQXWUSZGG-MSOLQXFVSA-N 2 2 415.965 3.528 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000537964940 1013541992 /nfs/dbraw/zinc/54/19/92/1013541992.db2.gz LTZZQBNWCGUCCB-GOSISDBHSA-N 2 2 414.619 3.566 20 0 HHADLP CCCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000537978492 1013554731 /nfs/dbraw/zinc/55/47/31/1013554731.db2.gz WOUDDQIBVSSRRQ-UGKGYDQZSA-N 2 2 409.578 3.585 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccsc1 ZINC000054609750 965581845 /nfs/dbraw/zinc/58/18/45/965581845.db2.gz LRZAVSOGEAZHOC-IBGZPJMESA-N 2 2 412.563 3.520 20 0 HHADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153107 965621845 /nfs/dbraw/zinc/62/18/45/965621845.db2.gz DDVBVLFVXWELLS-GHTZIAJQSA-N 2 2 408.546 3.501 20 0 HHADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153107 965621856 /nfs/dbraw/zinc/62/18/56/965621856.db2.gz DDVBVLFVXWELLS-GHTZIAJQSA-N 2 2 408.546 3.501 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054725773 965622684 /nfs/dbraw/zinc/62/26/84/965622684.db2.gz QSDDECSETKMETD-WOJBJXKFSA-N 2 2 411.594 3.530 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1F ZINC000542665802 1013591687 /nfs/dbraw/zinc/59/16/87/1013591687.db2.gz DEDGMBUWAZSVQH-INIZCTEOSA-N 2 2 401.507 3.580 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000538117223 1013678198 /nfs/dbraw/zinc/67/81/98/1013678198.db2.gz CPZMCSLEFXYCME-OYRHEFFESA-N 2 2 412.578 3.964 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000538117223 1013678202 /nfs/dbraw/zinc/67/82/02/1013678202.db2.gz CPZMCSLEFXYCME-OYRHEFFESA-N 2 2 412.578 3.964 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000042910046 966868128 /nfs/dbraw/zinc/86/81/28/966868128.db2.gz YUHHMVOAMXOAST-CALCHBBNSA-N 2 2 402.583 3.727 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000042910046 966868139 /nfs/dbraw/zinc/86/81/39/966868139.db2.gz YUHHMVOAMXOAST-CALCHBBNSA-N 2 2 402.583 3.727 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(OC(F)F)cc1 ZINC000538119991 1013682354 /nfs/dbraw/zinc/68/23/54/1013682354.db2.gz JYNUDLMSXPFXMF-ZDUSSCGKSA-N 2 2 410.490 3.630 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1F ZINC000063549018 966887786 /nfs/dbraw/zinc/88/77/86/966887786.db2.gz FKYAZOXWSYVNGC-UHFFFAOYSA-N 2 2 422.504 3.611 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043230972 966932288 /nfs/dbraw/zinc/93/22/88/966932288.db2.gz VNGPUSLVXSOUBA-FQEVSTJZSA-N 2 2 409.559 3.629 20 0 HHADLP CC(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000044858035 967303504 /nfs/dbraw/zinc/30/35/04/967303504.db2.gz ICEDWMDFDQPQOB-QFIPXVFZSA-N 2 2 400.954 3.761 20 0 HHADLP O=C(CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044857699 967303540 /nfs/dbraw/zinc/30/35/40/967303540.db2.gz FRDGRPXEPZLQJA-DEOSSOPVSA-N 2 2 414.553 3.694 20 0 HHADLP CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000044858036 967304773 /nfs/dbraw/zinc/30/47/73/967304773.db2.gz ICEDWMDFDQPQOB-JOCHJYFZSA-N 2 2 400.954 3.761 20 0 HHADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccccc1 ZINC000553951307 1013718840 /nfs/dbraw/zinc/71/88/40/1013718840.db2.gz INNZOTBGRQWJSB-JOCHJYFZSA-N 2 2 409.530 3.898 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046019502 967638194 /nfs/dbraw/zinc/63/81/94/967638194.db2.gz GRJJHEFMCGFBSO-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220351 968489856 /nfs/dbraw/zinc/48/98/56/968489856.db2.gz ULCCHLPXTFVBBM-UHFFFAOYSA-N 2 2 417.557 3.569 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C[C@H](C)O1 ZINC000071941204 968900303 /nfs/dbraw/zinc/90/03/03/968900303.db2.gz HZTKFDHGRGGLEI-OYRHEFFESA-N 2 2 424.589 3.892 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C[C@H](C)O1 ZINC000071941204 968900312 /nfs/dbraw/zinc/90/03/12/968900312.db2.gz HZTKFDHGRGGLEI-OYRHEFFESA-N 2 2 424.589 3.892 20 0 HHADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109681180 969547519 /nfs/dbraw/zinc/54/75/19/969547519.db2.gz XPIXUNPKDSBMST-QHCPKHFHSA-N 2 2 408.590 3.693 20 0 HHADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109681180 969547523 /nfs/dbraw/zinc/54/75/23/969547523.db2.gz XPIXUNPKDSBMST-QHCPKHFHSA-N 2 2 408.590 3.693 20 0 HHADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000109681349 969548070 /nfs/dbraw/zinc/54/80/70/969548070.db2.gz AOJXOQLCFSRBGY-FQEVSTJZSA-N 2 2 416.516 3.717 20 0 HHADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000109681349 969548075 /nfs/dbraw/zinc/54/80/75/969548075.db2.gz AOJXOQLCFSRBGY-FQEVSTJZSA-N 2 2 416.516 3.717 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccsc1 ZINC000139899727 970052098 /nfs/dbraw/zinc/05/20/98/970052098.db2.gz XDVCMTNHGUKUGJ-IBGZPJMESA-N 2 2 404.605 3.721 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000236770714 970169784 /nfs/dbraw/zinc/16/97/84/970169784.db2.gz PVTBHWMPNIIFNO-DENIHFKCSA-N 2 2 409.574 3.536 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000236770714 970169788 /nfs/dbraw/zinc/16/97/88/970169788.db2.gz PVTBHWMPNIIFNO-DENIHFKCSA-N 2 2 409.574 3.536 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000237102057 970221967 /nfs/dbraw/zinc/22/19/67/970221967.db2.gz RPQWQWQFLBYEIT-UHFFFAOYSA-N 2 2 413.928 3.706 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000237141278 970230555 /nfs/dbraw/zinc/23/05/55/970230555.db2.gz PLBVBJAOTGBXSW-LJQANCHMSA-N 2 2 416.610 3.958 20 0 HHADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1ccc(F)cc1 ZINC000237267741 970251478 /nfs/dbraw/zinc/25/14/78/970251478.db2.gz VIRHGVHAHCIXDP-QFIPXVFZSA-N 2 2 416.537 3.596 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542312 1013974612 /nfs/dbraw/zinc/97/46/12/1013974612.db2.gz AIJHJPIDYZJJEA-HXUWFJFHSA-N 2 2 424.936 3.938 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000149035617 970380098 /nfs/dbraw/zinc/38/00/98/970380098.db2.gz AUHZKVPWLAZPOC-SFHVURJKSA-N 2 2 418.632 3.549 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000149035617 970380108 /nfs/dbraw/zinc/38/01/08/970380108.db2.gz AUHZKVPWLAZPOC-SFHVURJKSA-N 2 2 418.632 3.549 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000554841178 1014070710 /nfs/dbraw/zinc/07/07/10/1014070710.db2.gz VEPYKSISQDDQFF-RBUKOAKNSA-N 2 2 411.512 3.678 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000554841178 1014070713 /nfs/dbraw/zinc/07/07/13/1014070713.db2.gz VEPYKSISQDDQFF-RBUKOAKNSA-N 2 2 411.512 3.678 20 0 HHADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000409716018 973190063 /nfs/dbraw/zinc/19/00/63/973190063.db2.gz JXAJWGVUOWBILY-PBHICJAKSA-N 2 2 421.358 3.599 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752466 973229081 /nfs/dbraw/zinc/22/90/81/973229081.db2.gz IRRRYAKGHYDIDK-LSWJPFSZSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752466 973229101 /nfs/dbraw/zinc/22/91/01/973229101.db2.gz IRRRYAKGHYDIDK-LSWJPFSZSA-N 2 2 421.589 3.629 20 0 HHADLP C[N@H+](Cc1ccccc1Oc1cccnc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953091 974058044 /nfs/dbraw/zinc/05/80/44/974058044.db2.gz VIKPSHAFXUCHCW-VWLOTQADSA-N 2 2 403.526 3.943 20 0 HHADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953091 974058055 /nfs/dbraw/zinc/05/80/55/974058055.db2.gz VIKPSHAFXUCHCW-VWLOTQADSA-N 2 2 403.526 3.943 20 0 HHADLP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425953091 974058068 /nfs/dbraw/zinc/05/80/68/974058068.db2.gz VIKPSHAFXUCHCW-VWLOTQADSA-N 2 2 403.526 3.943 20 0 HHADLP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425953091 974058075 /nfs/dbraw/zinc/05/80/75/974058075.db2.gz VIKPSHAFXUCHCW-VWLOTQADSA-N 2 2 403.526 3.943 20 0 HHADLP C[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988846 974100690 /nfs/dbraw/zinc/10/06/90/974100690.db2.gz PQUGZIZGIMIMST-PKTZIBPZSA-N 2 2 403.530 3.543 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988846 974100695 /nfs/dbraw/zinc/10/06/95/974100695.db2.gz PQUGZIZGIMIMST-PKTZIBPZSA-N 2 2 403.530 3.543 20 0 HHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000426350479 974409500 /nfs/dbraw/zinc/40/95/00/974409500.db2.gz FUXPWTRGKQTKNT-VEXUSMLFSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000426350479 974409505 /nfs/dbraw/zinc/40/95/05/974409505.db2.gz FUXPWTRGKQTKNT-VEXUSMLFSA-N 2 2 417.557 3.931 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426482377 974478664 /nfs/dbraw/zinc/47/86/64/974478664.db2.gz FDVXJVFBJQPIJY-DEOSSOPVSA-N 2 2 400.526 3.841 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426482377 974478666 /nfs/dbraw/zinc/47/86/66/974478666.db2.gz FDVXJVFBJQPIJY-DEOSSOPVSA-N 2 2 400.526 3.841 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000426625663 974569478 /nfs/dbraw/zinc/56/94/78/974569478.db2.gz NAMLQTOVCZKESF-UHFFFAOYSA-N 2 2 400.611 3.554 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC000426625663 974569482 /nfs/dbraw/zinc/56/94/82/974569482.db2.gz NAMLQTOVCZKESF-UHFFFAOYSA-N 2 2 400.611 3.554 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000426805553 974674098 /nfs/dbraw/zinc/67/40/98/974674098.db2.gz CLHNCJBAHHWGCO-IYBDPMFKSA-N 2 2 411.949 3.629 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000426805553 974674100 /nfs/dbraw/zinc/67/41/00/974674100.db2.gz CLHNCJBAHHWGCO-IYBDPMFKSA-N 2 2 411.949 3.629 20 0 HHADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)CCC(F)(F)F ZINC000427264216 975013010 /nfs/dbraw/zinc/01/30/10/975013010.db2.gz CBOUEUZIKBSLIH-QGZVFWFLSA-N 2 2 414.516 3.884 20 0 HHADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)CCC(F)(F)F ZINC000427264216 975013014 /nfs/dbraw/zinc/01/30/14/975013014.db2.gz CBOUEUZIKBSLIH-QGZVFWFLSA-N 2 2 414.516 3.884 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000427697623 975242953 /nfs/dbraw/zinc/24/29/53/975242953.db2.gz NGRIELGSQWYFPW-NHCUHLMSSA-N 2 2 405.464 3.704 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000427697623 975242958 /nfs/dbraw/zinc/24/29/58/975242958.db2.gz NGRIELGSQWYFPW-NHCUHLMSSA-N 2 2 405.464 3.704 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000427697624 975242995 /nfs/dbraw/zinc/24/29/95/975242995.db2.gz NGRIELGSQWYFPW-RTWAWAEBSA-N 2 2 405.464 3.704 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000427697624 975243000 /nfs/dbraw/zinc/24/30/00/975243000.db2.gz NGRIELGSQWYFPW-RTWAWAEBSA-N 2 2 405.464 3.704 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427865759 975327672 /nfs/dbraw/zinc/32/76/72/975327672.db2.gz JAJLSKRLKXNOMQ-DGCLKSJQSA-N 2 2 400.832 3.877 20 0 HHADLP COc1cccc(C2([NH2+]CC(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)CC2)c1 ZINC000428317818 975622547 /nfs/dbraw/zinc/62/25/47/975622547.db2.gz DKXKXMVMGUQYKY-UHFFFAOYSA-N 2 2 414.575 3.601 20 0 HHADLP CCOc1c(Cl)cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428429468 975743713 /nfs/dbraw/zinc/74/37/13/975743713.db2.gz DJWUPTCAZSGRQE-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1OC ZINC000428429468 975743718 /nfs/dbraw/zinc/74/37/18/975743718.db2.gz DJWUPTCAZSGRQE-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000428429468 975743723 /nfs/dbraw/zinc/74/37/23/975743723.db2.gz DJWUPTCAZSGRQE-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1c(Cl)cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428429468 975743728 /nfs/dbraw/zinc/74/37/28/975743728.db2.gz DJWUPTCAZSGRQE-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440316 975751254 /nfs/dbraw/zinc/75/12/54/975751254.db2.gz SETWVAWYHYEDCG-SANMLTNESA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440316 975751267 /nfs/dbraw/zinc/75/12/67/975751267.db2.gz SETWVAWYHYEDCG-SANMLTNESA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428440316 975751277 /nfs/dbraw/zinc/75/12/77/975751277.db2.gz SETWVAWYHYEDCG-SANMLTNESA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428440316 975751286 /nfs/dbraw/zinc/75/12/86/975751286.db2.gz SETWVAWYHYEDCG-SANMLTNESA-N 2 2 417.553 3.826 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000428463878 975765948 /nfs/dbraw/zinc/76/59/48/975765948.db2.gz OHGFJUAGVKHJTD-UHFFFAOYSA-N 2 2 411.594 3.704 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000428463878 975765966 /nfs/dbraw/zinc/76/59/66/975765966.db2.gz OHGFJUAGVKHJTD-UHFFFAOYSA-N 2 2 411.594 3.704 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000428503101 975799295 /nfs/dbraw/zinc/79/92/95/975799295.db2.gz LVLUNWMTYFFYBI-DENIHFKCSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000428503101 975799303 /nfs/dbraw/zinc/79/93/03/975799303.db2.gz LVLUNWMTYFFYBI-DENIHFKCSA-N 2 2 403.530 3.725 20 0 HHADLP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000428706121 975998537 /nfs/dbraw/zinc/99/85/37/975998537.db2.gz ICGBRBIJPFHZIQ-UHFFFAOYSA-N 2 2 413.393 3.695 20 0 HHADLP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000428706121 975998541 /nfs/dbraw/zinc/99/85/41/975998541.db2.gz ICGBRBIJPFHZIQ-UHFFFAOYSA-N 2 2 413.393 3.695 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000429089311 976375274 /nfs/dbraw/zinc/37/52/74/976375274.db2.gz FNYWRYZKHWKGCP-HSQYWUDLSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429089311 976375287 /nfs/dbraw/zinc/37/52/87/976375287.db2.gz FNYWRYZKHWKGCP-HSQYWUDLSA-N 2 2 422.013 3.903 20 0 HHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429420706 976698410 /nfs/dbraw/zinc/69/84/10/976698410.db2.gz WANZFLVBOVCFLQ-OFNKIYASSA-N 2 2 409.574 3.847 20 0 HHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429420706 976698432 /nfs/dbraw/zinc/69/84/32/976698432.db2.gz WANZFLVBOVCFLQ-OFNKIYASSA-N 2 2 409.574 3.847 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421938 976699470 /nfs/dbraw/zinc/69/94/70/976699470.db2.gz YBHBFJUOEDSWEJ-BWKNWUBXSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421938 976699480 /nfs/dbraw/zinc/69/94/80/976699480.db2.gz YBHBFJUOEDSWEJ-BWKNWUBXSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429427852 976705715 /nfs/dbraw/zinc/70/57/15/976705715.db2.gz INLDEJOVGKJIST-RYCFVGSHSA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429427852 976705726 /nfs/dbraw/zinc/70/57/26/976705726.db2.gz INLDEJOVGKJIST-RYCFVGSHSA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429427850 976705816 /nfs/dbraw/zinc/70/58/16/976705816.db2.gz INLDEJOVGKJIST-LJYZBVLISA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429427850 976705822 /nfs/dbraw/zinc/70/58/22/976705822.db2.gz INLDEJOVGKJIST-LJYZBVLISA-N 2 2 411.565 3.795 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074334 /nfs/dbraw/zinc/07/43/34/977074334.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074345 /nfs/dbraw/zinc/07/43/45/977074345.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074357 /nfs/dbraw/zinc/07/43/57/977074357.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798603 977074365 /nfs/dbraw/zinc/07/43/65/977074365.db2.gz JKCVJJQQPACYCM-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000430180847 977374486 /nfs/dbraw/zinc/37/44/86/977374486.db2.gz SBIXYLHGDGAMKR-OALUTQOASA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000430180847 977374494 /nfs/dbraw/zinc/37/44/94/977374494.db2.gz SBIXYLHGDGAMKR-OALUTQOASA-N 2 2 417.985 3.869 20 0 HHADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000430422244 977535578 /nfs/dbraw/zinc/53/55/78/977535578.db2.gz CIPMCUXPFGTPTM-RTBURBONSA-N 2 2 408.384 3.529 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000430651826 977668679 /nfs/dbraw/zinc/66/86/79/977668679.db2.gz MLLYCLXSXLKTJR-HUVFLSCGSA-N 2 2 423.626 3.946 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000430651826 977668685 /nfs/dbraw/zinc/66/86/85/977668685.db2.gz MLLYCLXSXLKTJR-HUVFLSCGSA-N 2 2 423.626 3.946 20 0 HHADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430847194 977798760 /nfs/dbraw/zinc/79/87/60/977798760.db2.gz XVOSOAZWMJYSLD-FQEVSTJZSA-N 2 2 417.985 3.726 20 0 HHADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430847194 977798769 /nfs/dbraw/zinc/79/87/69/977798769.db2.gz XVOSOAZWMJYSLD-FQEVSTJZSA-N 2 2 417.985 3.726 20 0 HHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914106 977883400 /nfs/dbraw/zinc/88/34/00/977883400.db2.gz IBXOAJFQYBVICF-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914106 977883405 /nfs/dbraw/zinc/88/34/05/977883405.db2.gz IBXOAJFQYBVICF-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000430947262 977908084 /nfs/dbraw/zinc/90/80/84/977908084.db2.gz AGQYGEKJOQIOCZ-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000430947262 977908086 /nfs/dbraw/zinc/90/80/86/977908086.db2.gz AGQYGEKJOQIOCZ-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000431642942 978402840 /nfs/dbraw/zinc/40/28/40/978402840.db2.gz JRBWULOPKBVTCN-UHFFFAOYSA-N 2 2 401.530 3.569 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699897 978444269 /nfs/dbraw/zinc/44/42/69/978444269.db2.gz SROLBOOEGGQFLP-LGVFNWMJSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699897 978444270 /nfs/dbraw/zinc/44/42/70/978444270.db2.gz SROLBOOEGGQFLP-LGVFNWMJSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431800468 978523449 /nfs/dbraw/zinc/52/34/49/978523449.db2.gz LMDSSQOVCXERPH-OAQYLSRUSA-N 2 2 402.542 3.597 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431800468 978523455 /nfs/dbraw/zinc/52/34/55/978523455.db2.gz LMDSSQOVCXERPH-OAQYLSRUSA-N 2 2 402.542 3.597 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431868264 978562289 /nfs/dbraw/zinc/56/22/89/978562289.db2.gz GABOGOIQHADFDJ-NHCUHLMSSA-N 2 2 401.599 3.772 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432640746 978921447 /nfs/dbraw/zinc/92/14/47/978921447.db2.gz BLYIMROOYRFJPN-FQEVSTJZSA-N 2 2 411.550 3.539 20 0 HHADLP C[C@H](CO)[N@@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432832155 978987222 /nfs/dbraw/zinc/98/72/22/978987222.db2.gz XJSDDXQTLBILIZ-CQSZACIVSA-N 2 2 404.352 3.768 20 0 HHADLP C[C@H](CO)[N@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432832155 978987224 /nfs/dbraw/zinc/98/72/24/978987224.db2.gz XJSDDXQTLBILIZ-CQSZACIVSA-N 2 2 404.352 3.768 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265166 979199743 /nfs/dbraw/zinc/19/97/43/979199743.db2.gz HCOFMMDUCRRBNC-UIAACRFSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265166 979199748 /nfs/dbraw/zinc/19/97/48/979199748.db2.gz HCOFMMDUCRRBNC-UIAACRFSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265166 979199754 /nfs/dbraw/zinc/19/97/54/979199754.db2.gz HCOFMMDUCRRBNC-UIAACRFSSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265166 979199756 /nfs/dbraw/zinc/19/97/56/979199756.db2.gz HCOFMMDUCRRBNC-UIAACRFSSA-N 2 2 418.379 3.503 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433762784 979557185 /nfs/dbraw/zinc/55/71/85/979557185.db2.gz AVWGCWKAOBCEQK-HJNYFJLDSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433762784 979557192 /nfs/dbraw/zinc/55/71/92/979557192.db2.gz AVWGCWKAOBCEQK-HJNYFJLDSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433762784 979557198 /nfs/dbraw/zinc/55/71/98/979557198.db2.gz AVWGCWKAOBCEQK-HJNYFJLDSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433762784 979557205 /nfs/dbraw/zinc/55/72/05/979557205.db2.gz AVWGCWKAOBCEQK-HJNYFJLDSA-N 2 2 409.578 3.540 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(F)c1 ZINC000433987564 979736669 /nfs/dbraw/zinc/73/66/69/979736669.db2.gz GWVYBBHYCQESTM-OAQYLSRUSA-N 2 2 413.541 3.550 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC(C)C ZINC000434003196 979750371 /nfs/dbraw/zinc/75/03/71/979750371.db2.gz MZVAYCRIMNRIOT-OAQYLSRUSA-N 2 2 403.615 3.865 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434188428 979954458 /nfs/dbraw/zinc/95/44/58/979954458.db2.gz HOUZDMSJAHEIPM-JOCHJYFZSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434188428 979954465 /nfs/dbraw/zinc/95/44/65/979954465.db2.gz HOUZDMSJAHEIPM-JOCHJYFZSA-N 2 2 421.589 3.773 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434268004 980029697 /nfs/dbraw/zinc/02/96/97/980029697.db2.gz VIKFPBHLUACPJP-OALUTQOASA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434362747 980115999 /nfs/dbraw/zinc/11/59/99/980115999.db2.gz GAJSOIFYYDPMFJ-QUCCMNQESA-N 2 2 413.610 3.761 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000434362747 980116002 /nfs/dbraw/zinc/11/60/02/980116002.db2.gz GAJSOIFYYDPMFJ-QUCCMNQESA-N 2 2 413.610 3.761 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434676706 980334398 /nfs/dbraw/zinc/33/43/98/980334398.db2.gz SRUPQKIVFMMXGW-UHFFFAOYSA-N 2 2 406.983 3.772 20 0 HHADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000434686547 980338823 /nfs/dbraw/zinc/33/88/23/980338823.db2.gz WFOCJXRDJJVSPZ-FQEVSTJZSA-N 2 2 416.928 3.997 20 0 HHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(C(F)(F)F)s1 ZINC000435134342 980665831 /nfs/dbraw/zinc/66/58/31/980665831.db2.gz WPKKUWFXPSWKDB-UHFFFAOYSA-N 2 2 404.546 3.790 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435504377 980907253 /nfs/dbraw/zinc/90/72/53/980907253.db2.gz ZKVNFGXFKUPUEM-JOCHJYFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435504377 980907254 /nfs/dbraw/zinc/90/72/54/980907254.db2.gz ZKVNFGXFKUPUEM-JOCHJYFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435504377 980907257 /nfs/dbraw/zinc/90/72/57/980907257.db2.gz ZKVNFGXFKUPUEM-JOCHJYFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435504377 980907259 /nfs/dbraw/zinc/90/72/59/980907259.db2.gz ZKVNFGXFKUPUEM-JOCHJYFZSA-N 2 2 409.578 3.772 20 0 HHADLP CCc1ccc(C(C)(C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000435569141 980945279 /nfs/dbraw/zinc/94/52/79/980945279.db2.gz WRCKGGJMYJZOGV-UHFFFAOYSA-N 2 2 400.611 3.734 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000435579982 980948997 /nfs/dbraw/zinc/94/89/97/980948997.db2.gz OEFDRKMPGXPWEZ-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000435579982 980948999 /nfs/dbraw/zinc/94/89/99/980948999.db2.gz OEFDRKMPGXPWEZ-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000435579983 980949055 /nfs/dbraw/zinc/94/90/55/980949055.db2.gz OEFDRKMPGXPWEZ-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000435579983 980949057 /nfs/dbraw/zinc/94/90/57/980949057.db2.gz OEFDRKMPGXPWEZ-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000435581332 980949480 /nfs/dbraw/zinc/94/94/80/980949480.db2.gz YFMZPWZAESTBSY-OAQYLSRUSA-N 2 2 413.606 3.563 20 0 HHADLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000435968563 981121542 /nfs/dbraw/zinc/12/15/42/981121542.db2.gz DAAZQOYKFIGMFA-UHFFFAOYSA-N 2 2 419.573 3.599 20 0 HHADLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000435968563 981121544 /nfs/dbraw/zinc/12/15/44/981121544.db2.gz DAAZQOYKFIGMFA-UHFFFAOYSA-N 2 2 419.573 3.599 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336289 981308917 /nfs/dbraw/zinc/30/89/17/981308917.db2.gz VIWRIIKLPOEVOR-WMZHIEFXSA-N 2 2 414.594 3.998 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336289 981308920 /nfs/dbraw/zinc/30/89/20/981308920.db2.gz VIWRIIKLPOEVOR-WMZHIEFXSA-N 2 2 414.594 3.998 20 0 HHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2ccccc2cc1O ZINC000436586291 981461385 /nfs/dbraw/zinc/46/13/85/981461385.db2.gz SNBDTXVLBTXLFP-UHFFFAOYSA-N 2 2 409.574 3.814 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436608480 981472108 /nfs/dbraw/zinc/47/21/08/981472108.db2.gz UQPOBHFMBWYBNL-GOTSBHOMSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436608480 981472112 /nfs/dbraw/zinc/47/21/12/981472112.db2.gz UQPOBHFMBWYBNL-GOTSBHOMSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436975039 981660390 /nfs/dbraw/zinc/66/03/90/981660390.db2.gz FXQDQMUBPFCQPH-XZOQPEGZSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436975039 981660394 /nfs/dbraw/zinc/66/03/94/981660394.db2.gz FXQDQMUBPFCQPH-XZOQPEGZSA-N 2 2 413.606 3.680 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371256 981730217 /nfs/dbraw/zinc/73/02/17/981730217.db2.gz MJURFIRPWPIHLF-XQFWAAQXSA-N 2 2 412.578 3.560 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371256 981730220 /nfs/dbraw/zinc/73/02/20/981730220.db2.gz MJURFIRPWPIHLF-XQFWAAQXSA-N 2 2 412.578 3.560 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3ccccc3F)CCCC2)([NH+]2CCCCC2)CC1 ZINC000460480417 982272814 /nfs/dbraw/zinc/27/28/14/982272814.db2.gz NPDGRPZMODNSBJ-UHFFFAOYSA-N 2 2 401.570 3.704 20 0 HHADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460502405 982291335 /nfs/dbraw/zinc/29/13/35/982291335.db2.gz IFPDUPOQLGBXMB-VSKRKVRLSA-N 2 2 407.643 3.530 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2occc2COc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460504818 982293320 /nfs/dbraw/zinc/29/33/20/982293320.db2.gz QILBZEOLQFRXEC-UHFFFAOYSA-N 2 2 411.546 3.539 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000438096336 982585042 /nfs/dbraw/zinc/58/50/42/982585042.db2.gz RGDNWORIQSYRJL-UHFFFAOYSA-N 2 2 401.580 3.663 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000438096336 982585047 /nfs/dbraw/zinc/58/50/47/982585047.db2.gz RGDNWORIQSYRJL-UHFFFAOYSA-N 2 2 401.580 3.663 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460989474 982710967 /nfs/dbraw/zinc/71/09/67/982710967.db2.gz SCUJZFDGEKFXOI-XMMPIXPASA-N 2 2 407.602 3.887 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460989474 982710973 /nfs/dbraw/zinc/71/09/73/982710973.db2.gz SCUJZFDGEKFXOI-XMMPIXPASA-N 2 2 407.602 3.887 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461435520 983098267 /nfs/dbraw/zinc/09/82/67/983098267.db2.gz XVTUHUMYIHUMAG-FCHUYYIVSA-N 2 2 400.526 3.775 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461435520 983098274 /nfs/dbraw/zinc/09/82/74/983098274.db2.gz XVTUHUMYIHUMAG-FCHUYYIVSA-N 2 2 400.526 3.775 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000461437963 983101871 /nfs/dbraw/zinc/10/18/71/983101871.db2.gz VZKDNXMIBWUQPI-UHFFFAOYSA-N 2 2 401.558 3.965 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC000461454003 983120357 /nfs/dbraw/zinc/12/03/57/983120357.db2.gz HDEYQIOMOIWOKR-NJYVYQBISA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC000461454003 983120362 /nfs/dbraw/zinc/12/03/62/983120362.db2.gz HDEYQIOMOIWOKR-NJYVYQBISA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)CC2 ZINC000461454003 983120368 /nfs/dbraw/zinc/12/03/68/983120368.db2.gz HDEYQIOMOIWOKR-NJYVYQBISA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)CC2 ZINC000461454003 983120382 /nfs/dbraw/zinc/12/03/82/983120382.db2.gz HDEYQIOMOIWOKR-NJYVYQBISA-N 2 2 406.574 3.619 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000439613081 983471177 /nfs/dbraw/zinc/47/11/77/983471177.db2.gz VVDGOJIZDOFORI-GOSISDBHSA-N 2 2 402.502 3.738 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000439613081 983471180 /nfs/dbraw/zinc/47/11/80/983471180.db2.gz VVDGOJIZDOFORI-GOSISDBHSA-N 2 2 402.502 3.738 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955596 983593761 /nfs/dbraw/zinc/59/37/61/983593761.db2.gz JPCBSEYRFHADRT-QKLQHJQFSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955596 983593763 /nfs/dbraw/zinc/59/37/63/983593763.db2.gz JPCBSEYRFHADRT-QKLQHJQFSA-N 2 2 420.479 3.664 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000440099865 983644354 /nfs/dbraw/zinc/64/43/54/983644354.db2.gz HYKPTGOLLHKFQB-FUHWJXTLSA-N 2 2 408.468 3.664 20 0 HHADLP Cc1csc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000440463537 983766477 /nfs/dbraw/zinc/76/64/77/983766477.db2.gz AGZRWQKIZZFNAX-UHFFFAOYSA-N 2 2 422.598 3.774 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000441320770 984181190 /nfs/dbraw/zinc/18/11/90/984181190.db2.gz ZPNFPHOOYPJURA-VQTJNVASSA-N 2 2 411.575 3.905 20 0 HHADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322240 984182663 /nfs/dbraw/zinc/18/26/63/984182663.db2.gz GCIFEDAHTFRCTF-WZONZLPQSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322240 984182666 /nfs/dbraw/zinc/18/26/66/984182666.db2.gz GCIFEDAHTFRCTF-WZONZLPQSA-N 2 2 411.521 3.680 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000441382091 984221532 /nfs/dbraw/zinc/22/15/32/984221532.db2.gz IVYZJTGALSPVON-XLIONFOSSA-N 2 2 406.486 3.587 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 ZINC000441384382 984222894 /nfs/dbraw/zinc/22/28/94/984222894.db2.gz XVJLADODBZYYOP-HYBUGGRVSA-N 2 2 402.542 3.804 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395933 984228824 /nfs/dbraw/zinc/22/88/24/984228824.db2.gz PTEZHXKINREUBW-XFQAVAEZSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395933 984228827 /nfs/dbraw/zinc/22/88/27/984228827.db2.gz PTEZHXKINREUBW-XFQAVAEZSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395933 984228832 /nfs/dbraw/zinc/22/88/32/984228832.db2.gz PTEZHXKINREUBW-XFQAVAEZSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441395933 984228837 /nfs/dbraw/zinc/22/88/37/984228837.db2.gz PTEZHXKINREUBW-XFQAVAEZSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407077 984236004 /nfs/dbraw/zinc/23/60/04/984236004.db2.gz SDDGPUCUPJCCAK-KNBMTAEXSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407077 984236010 /nfs/dbraw/zinc/23/60/10/984236010.db2.gz SDDGPUCUPJCCAK-KNBMTAEXSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407077 984236015 /nfs/dbraw/zinc/23/60/15/984236015.db2.gz SDDGPUCUPJCCAK-KNBMTAEXSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407077 984236018 /nfs/dbraw/zinc/23/60/18/984236018.db2.gz SDDGPUCUPJCCAK-KNBMTAEXSA-N 2 2 420.395 3.575 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C)c1 ZINC000441495418 984287057 /nfs/dbraw/zinc/28/70/57/984287057.db2.gz BRANJJPHQUYODX-VWNXMTODSA-N 2 2 419.573 3.713 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461734335 984747653 /nfs/dbraw/zinc/74/76/53/984747653.db2.gz YZZMMKCDIFIGGZ-YGOYIFOWSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000461734335 984747660 /nfs/dbraw/zinc/74/76/60/984747660.db2.gz YZZMMKCDIFIGGZ-YGOYIFOWSA-N 2 2 417.557 3.931 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243896 984765059 /nfs/dbraw/zinc/76/50/59/984765059.db2.gz RTTRDUKKXQRRNV-GGAORHGYSA-N 2 2 409.578 3.615 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243896 984765066 /nfs/dbraw/zinc/76/50/66/984765066.db2.gz RTTRDUKKXQRRNV-GGAORHGYSA-N 2 2 409.578 3.615 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000462517693 985467839 /nfs/dbraw/zinc/46/78/39/985467839.db2.gz RLCSUSPEFCZJOM-PKOBYXMFSA-N 2 2 402.564 3.566 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000462680556 985620082 /nfs/dbraw/zinc/62/00/82/985620082.db2.gz JRIQNYAYBDXIHP-IBGZPJMESA-N 2 2 412.603 3.932 20 0 HHADLP C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000443570267 985745276 /nfs/dbraw/zinc/74/52/76/985745276.db2.gz ZWVJXMSXHITJNE-QZTJIDSGSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000443570267 985745285 /nfs/dbraw/zinc/74/52/85/985745285.db2.gz ZWVJXMSXHITJNE-QZTJIDSGSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000443570267 985745297 /nfs/dbraw/zinc/74/52/97/985745297.db2.gz ZWVJXMSXHITJNE-QZTJIDSGSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000443570267 985745306 /nfs/dbraw/zinc/74/53/06/985745306.db2.gz ZWVJXMSXHITJNE-QZTJIDSGSA-N 2 2 419.013 3.650 20 0 HHADLP Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462843609 985767469 /nfs/dbraw/zinc/76/74/69/985767469.db2.gz GJSCQLKGVGOVBF-MRXNPFEDSA-N 2 2 409.452 3.990 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000443594231 985770835 /nfs/dbraw/zinc/77/08/35/985770835.db2.gz QRUATPGTRBDNIZ-UGKGYDQZSA-N 2 2 402.583 3.712 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000443594231 985770842 /nfs/dbraw/zinc/77/08/42/985770842.db2.gz QRUATPGTRBDNIZ-UGKGYDQZSA-N 2 2 402.583 3.712 20 0 HHADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623413 985801620 /nfs/dbraw/zinc/80/16/20/985801620.db2.gz LOWAWYRURIINMW-LZQZEXGQSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623413 985801648 /nfs/dbraw/zinc/80/16/48/985801648.db2.gz LOWAWYRURIINMW-LZQZEXGQSA-N 2 2 410.965 3.598 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000463132443 986098405 /nfs/dbraw/zinc/09/84/05/986098405.db2.gz OTZMJUDQSYJQBD-HHHXNRCGSA-N 3 2 420.645 3.662 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000463132443 986098418 /nfs/dbraw/zinc/09/84/18/986098418.db2.gz OTZMJUDQSYJQBD-HHHXNRCGSA-N 3 2 420.645 3.662 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000463154862 986126037 /nfs/dbraw/zinc/12/60/37/986126037.db2.gz GETVOJBFTSYPHG-ICSRJNTNSA-N 2 2 416.591 3.957 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000463154863 986126141 /nfs/dbraw/zinc/12/61/41/986126141.db2.gz GETVOJBFTSYPHG-QUCCMNQESA-N 2 2 416.591 3.957 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OC(F)(F)F ZINC000463247621 986215766 /nfs/dbraw/zinc/21/57/66/986215766.db2.gz WRMSNJSGIXOSIY-HXUWFJFHSA-N 2 2 408.464 3.915 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444050507 986249660 /nfs/dbraw/zinc/24/96/60/986249660.db2.gz IZFYKFUMGVKUEC-TXTKFYIRSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444192513 986370445 /nfs/dbraw/zinc/37/04/45/986370445.db2.gz JSBCZHLIQXTPRQ-IEBWSBKVSA-N 2 2 422.411 3.604 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444192513 986370455 /nfs/dbraw/zinc/37/04/55/986370455.db2.gz JSBCZHLIQXTPRQ-IEBWSBKVSA-N 2 2 422.411 3.604 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437353 986414645 /nfs/dbraw/zinc/41/46/45/986414645.db2.gz POBXGNYBTMSCBA-UIOOFZCWSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437353 986414653 /nfs/dbraw/zinc/41/46/53/986414653.db2.gz POBXGNYBTMSCBA-UIOOFZCWSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437353 986414658 /nfs/dbraw/zinc/41/46/58/986414658.db2.gz POBXGNYBTMSCBA-UIOOFZCWSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437353 986414663 /nfs/dbraw/zinc/41/46/63/986414663.db2.gz POBXGNYBTMSCBA-UIOOFZCWSA-N 2 2 408.586 3.595 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000444345864 986527781 /nfs/dbraw/zinc/52/77/81/986527781.db2.gz SHBCFRRUJIQMKY-LAUBAEHRSA-N 2 2 407.518 3.971 20 0 HHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000468866897 986575646 /nfs/dbraw/zinc/57/56/46/986575646.db2.gz FGQWGDDAXNQWFV-OALUTQOASA-N 2 2 413.562 3.646 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000444589909 986776532 /nfs/dbraw/zinc/77/65/32/986776532.db2.gz ADFVYOQEDSKEID-FQEVSTJZSA-N 2 2 417.557 3.812 20 0 HHADLP COc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](c1ccccc1)C2 ZINC000469071157 986784284 /nfs/dbraw/zinc/78/42/84/986784284.db2.gz UCMYDKGAMPMJIL-RUZDIDTESA-N 2 2 421.585 3.784 20 0 HHADLP COc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](c1ccccc1)C2 ZINC000469071157 986784292 /nfs/dbraw/zinc/78/42/92/986784292.db2.gz UCMYDKGAMPMJIL-RUZDIDTESA-N 2 2 421.585 3.784 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469116210 986832336 /nfs/dbraw/zinc/83/23/36/986832336.db2.gz ODWJELKJOMYJHD-ROKPMTFOSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469116210 986832352 /nfs/dbraw/zinc/83/23/52/986832352.db2.gz ODWJELKJOMYJHD-ROKPMTFOSA-N 2 2 422.573 3.922 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000469116676 986833171 /nfs/dbraw/zinc/83/31/71/986833171.db2.gz QYOBHKCJLICUCN-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000469116676 986833185 /nfs/dbraw/zinc/83/31/85/986833185.db2.gz QYOBHKCJLICUCN-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000444787049 986942696 /nfs/dbraw/zinc/94/26/96/986942696.db2.gz QBWNERCPTIXCBT-NRFANRHFSA-N 2 2 419.491 3.923 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000444790214 986944854 /nfs/dbraw/zinc/94/48/54/986944854.db2.gz HNJXMFRFSDDYNZ-ISKFKSNPSA-N 2 2 414.553 3.774 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000444790214 986944863 /nfs/dbraw/zinc/94/48/63/986944863.db2.gz HNJXMFRFSDDYNZ-ISKFKSNPSA-N 2 2 414.553 3.774 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000444801516 986956470 /nfs/dbraw/zinc/95/64/70/986956470.db2.gz LGTWFFWDRRMGOJ-CVDCTZTESA-N 2 2 420.582 3.835 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000444801516 986956482 /nfs/dbraw/zinc/95/64/82/986956482.db2.gz LGTWFFWDRRMGOJ-CVDCTZTESA-N 2 2 420.582 3.835 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000469424917 987113290 /nfs/dbraw/zinc/11/32/90/987113290.db2.gz UIAMVNGWALQVEJ-JOCHJYFZSA-N 2 2 409.578 3.506 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000469424917 987113293 /nfs/dbraw/zinc/11/32/93/987113293.db2.gz UIAMVNGWALQVEJ-JOCHJYFZSA-N 2 2 409.578 3.506 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469455754 987141097 /nfs/dbraw/zinc/14/10/97/987141097.db2.gz YNAWMNRQOSAGLL-HXUWFJFHSA-N 2 2 413.512 3.666 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469455754 987141102 /nfs/dbraw/zinc/14/11/02/987141102.db2.gz YNAWMNRQOSAGLL-HXUWFJFHSA-N 2 2 413.512 3.666 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](c4ccccc4)c4ccccc43)CC2)CC1 ZINC000445009210 987141385 /nfs/dbraw/zinc/14/13/85/987141385.db2.gz CVEZRTDDBRZTGA-DEOSSOPVSA-N 2 2 418.585 3.907 20 0 HHADLP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469684025 987341703 /nfs/dbraw/zinc/34/17/03/987341703.db2.gz ZFRZNCVFSFMBAP-GHTZIAJQSA-N 2 2 413.591 3.589 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000469788384 987433675 /nfs/dbraw/zinc/43/36/75/987433675.db2.gz UFNHPCURIFOHQY-DOTOQJQBSA-N 2 2 423.399 3.562 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000469788384 987433677 /nfs/dbraw/zinc/43/36/77/987433677.db2.gz UFNHPCURIFOHQY-DOTOQJQBSA-N 2 2 423.399 3.562 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000469858215 987495641 /nfs/dbraw/zinc/49/56/41/987495641.db2.gz CKOKFDNQAYKPCP-NFBKMPQASA-N 2 2 409.578 3.908 20 0 HHADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000464603862 988785411 /nfs/dbraw/zinc/78/54/11/988785411.db2.gz WDBSTYPOLOQJAK-UYAOXDASSA-N 2 2 411.594 3.503 20 0 HHADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681836 988886708 /nfs/dbraw/zinc/88/67/08/988886708.db2.gz BMMMBDBKQNCFRE-VQIMIIECSA-N 2 2 408.384 3.527 20 0 HHADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681836 988886729 /nfs/dbraw/zinc/88/67/29/988886729.db2.gz BMMMBDBKQNCFRE-VQIMIIECSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681836 988886746 /nfs/dbraw/zinc/88/67/46/988886746.db2.gz BMMMBDBKQNCFRE-VQIMIIECSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681836 988886765 /nfs/dbraw/zinc/88/67/65/988886765.db2.gz BMMMBDBKQNCFRE-VQIMIIECSA-N 2 2 408.384 3.527 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470886863 988959001 /nfs/dbraw/zinc/95/90/01/988959001.db2.gz XYFJMWOCTYQUGG-YLJYHZDGSA-N 2 2 422.976 3.571 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470886863 988959009 /nfs/dbraw/zinc/95/90/09/988959009.db2.gz XYFJMWOCTYQUGG-YLJYHZDGSA-N 2 2 422.976 3.571 20 0 HHADLP CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813605 989048638 /nfs/dbraw/zinc/04/86/38/989048638.db2.gz YHSBEYRPWMZKEX-UHFFFAOYSA-N 2 2 410.606 3.705 20 0 HHADLP CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813605 989048651 /nfs/dbraw/zinc/04/86/51/989048651.db2.gz YHSBEYRPWMZKEX-UHFFFAOYSA-N 2 2 410.606 3.705 20 0 HHADLP Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c(C)c1 ZINC000471008002 989076848 /nfs/dbraw/zinc/07/68/48/989076848.db2.gz RWUQEKVCYAIUQG-JOCHJYFZSA-N 2 2 407.558 3.564 20 0 HHADLP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c(C)c1 ZINC000471008002 989076857 /nfs/dbraw/zinc/07/68/57/989076857.db2.gz RWUQEKVCYAIUQG-JOCHJYFZSA-N 2 2 407.558 3.564 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841016 989087117 /nfs/dbraw/zinc/08/71/17/989087117.db2.gz VWVDSFUWFFQRLH-IRLDBZIGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841016 989087128 /nfs/dbraw/zinc/08/71/28/989087128.db2.gz VWVDSFUWFFQRLH-IRLDBZIGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841016 989087137 /nfs/dbraw/zinc/08/71/37/989087137.db2.gz VWVDSFUWFFQRLH-IRLDBZIGSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841016 989087149 /nfs/dbraw/zinc/08/71/49/989087149.db2.gz VWVDSFUWFFQRLH-IRLDBZIGSA-N 2 2 409.574 3.669 20 0 HHADLP CN(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851591 989103872 /nfs/dbraw/zinc/10/38/72/989103872.db2.gz QANVVRUKIKTCGD-RCZVLFRGSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851591 989103877 /nfs/dbraw/zinc/10/38/77/989103877.db2.gz QANVVRUKIKTCGD-RCZVLFRGSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851591 989103881 /nfs/dbraw/zinc/10/38/81/989103881.db2.gz QANVVRUKIKTCGD-RCZVLFRGSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000464851591 989103884 /nfs/dbraw/zinc/10/38/84/989103884.db2.gz QANVVRUKIKTCGD-RCZVLFRGSA-N 2 2 405.586 3.976 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860701 989115318 /nfs/dbraw/zinc/11/53/18/989115318.db2.gz ZLJWNUJHVMEAJW-TUNNFDKTSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860701 989115325 /nfs/dbraw/zinc/11/53/25/989115325.db2.gz ZLJWNUJHVMEAJW-TUNNFDKTSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860701 989115327 /nfs/dbraw/zinc/11/53/27/989115327.db2.gz ZLJWNUJHVMEAJW-TUNNFDKTSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860701 989115331 /nfs/dbraw/zinc/11/53/31/989115331.db2.gz ZLJWNUJHVMEAJW-TUNNFDKTSA-N 2 2 409.574 3.715 20 0 HHADLP O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471045740 989124668 /nfs/dbraw/zinc/12/46/68/989124668.db2.gz WXDKGKBQYBRJMK-UHFFFAOYSA-N 2 2 416.616 3.690 20 0 HHADLP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176621 989304935 /nfs/dbraw/zinc/30/49/35/989304935.db2.gz KGWRJNYVCCPBOA-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176621 989304951 /nfs/dbraw/zinc/30/49/51/989304951.db2.gz KGWRJNYVCCPBOA-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230689 989375083 /nfs/dbraw/zinc/37/50/83/989375083.db2.gz VPJKZYLZHJKZKM-OXQOHEQNSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230689 989375095 /nfs/dbraw/zinc/37/50/95/989375095.db2.gz VPJKZYLZHJKZKM-OXQOHEQNSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230689 989375106 /nfs/dbraw/zinc/37/51/06/989375106.db2.gz VPJKZYLZHJKZKM-OXQOHEQNSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230689 989375116 /nfs/dbraw/zinc/37/51/16/989375116.db2.gz VPJKZYLZHJKZKM-OXQOHEQNSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232778 989377964 /nfs/dbraw/zinc/37/79/64/989377964.db2.gz CMHFWGVGFITAKY-GTCCEBARSA-N 2 2 403.567 3.755 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232778 989377977 /nfs/dbraw/zinc/37/79/77/989377977.db2.gz CMHFWGVGFITAKY-GTCCEBARSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232778 989377988 /nfs/dbraw/zinc/37/79/88/989377988.db2.gz CMHFWGVGFITAKY-GTCCEBARSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471232778 989377998 /nfs/dbraw/zinc/37/79/98/989377998.db2.gz CMHFWGVGFITAKY-GTCCEBARSA-N 2 2 403.567 3.755 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274595 989425677 /nfs/dbraw/zinc/42/56/77/989425677.db2.gz WXVPWPNFYRAZDO-UNMCSNQZSA-N 2 2 422.573 3.723 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000471274595 989425682 /nfs/dbraw/zinc/42/56/82/989425682.db2.gz WXVPWPNFYRAZDO-UNMCSNQZSA-N 2 2 422.573 3.723 20 0 HHADLP Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465428513 989773601 /nfs/dbraw/zinc/77/36/01/989773601.db2.gz GIOOCGYWJGZBGV-UHFFFAOYSA-N 2 2 400.611 3.741 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465592217 989970071 /nfs/dbraw/zinc/97/00/71/989970071.db2.gz GYHMKZNKHJPXIS-JOCHJYFZSA-N 2 2 410.562 3.619 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCSc3c(F)cccc32)([NH+]2CCCCC2)CC1 ZINC000465637269 990023962 /nfs/dbraw/zinc/02/39/62/990023962.db2.gz ZOMSPSXVGMRAPC-LJQANCHMSA-N 2 2 420.598 3.612 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465747892 990133533 /nfs/dbraw/zinc/13/35/33/990133533.db2.gz LNTMBYDYPXVRBL-HBMCJLEFSA-N 2 2 415.626 3.696 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465747892 990133538 /nfs/dbraw/zinc/13/35/38/990133538.db2.gz LNTMBYDYPXVRBL-HBMCJLEFSA-N 2 2 415.626 3.696 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002840 990172365 /nfs/dbraw/zinc/17/23/65/990172365.db2.gz OMFISOAAYUENST-XPWALMASSA-N 2 2 413.606 3.575 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002840 990172368 /nfs/dbraw/zinc/17/23/68/990172368.db2.gz OMFISOAAYUENST-XPWALMASSA-N 2 2 413.606 3.575 20 0 HHADLP CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465822898 990206049 /nfs/dbraw/zinc/20/60/49/990206049.db2.gz ZZTUDTDOKUMZDG-QFIPXVFZSA-N 2 2 400.611 3.516 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869115 990982311 /nfs/dbraw/zinc/98/23/11/990982311.db2.gz DIYBSPCTYPQBRF-XLIONFOSSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869115 990982317 /nfs/dbraw/zinc/98/23/17/990982317.db2.gz DIYBSPCTYPQBRF-XLIONFOSSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869115 990982326 /nfs/dbraw/zinc/98/23/26/990982326.db2.gz DIYBSPCTYPQBRF-XLIONFOSSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869115 990982337 /nfs/dbraw/zinc/98/23/37/990982337.db2.gz DIYBSPCTYPQBRF-XLIONFOSSA-N 2 2 424.992 3.817 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465967870 991117832 /nfs/dbraw/zinc/11/78/32/991117832.db2.gz SNRHTJQCIVTNAW-UHFFFAOYSA-N 2 2 421.589 3.665 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000465989194 991150929 /nfs/dbraw/zinc/15/09/29/991150929.db2.gz WNDOBEJRIVBOGD-LPHOPBHVSA-N 2 2 422.976 3.585 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000465989193 991150968 /nfs/dbraw/zinc/15/09/68/991150968.db2.gz WNDOBEJRIVBOGD-APWZRJJASA-N 2 2 422.976 3.585 20 0 HHADLP CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466029308 991199962 /nfs/dbraw/zinc/19/99/62/991199962.db2.gz ZMCYYRGGAUZFRQ-NRFANRHFSA-N 2 2 421.029 3.911 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000466076897 991251393 /nfs/dbraw/zinc/25/13/93/991251393.db2.gz KSFUGORKQYHDKF-PXNSSMCTSA-N 2 2 416.591 3.993 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000466076897 991251399 /nfs/dbraw/zinc/25/13/99/991251399.db2.gz KSFUGORKQYHDKF-PXNSSMCTSA-N 2 2 416.591 3.993 20 0 HHADLP Cc1ccc(C[C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466140930 991322695 /nfs/dbraw/zinc/32/26/95/991322695.db2.gz FDNBPIQLKTTYFK-NRFANRHFSA-N 2 2 400.611 3.518 20 0 HHADLP CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000466140510 991322781 /nfs/dbraw/zinc/32/27/81/991322781.db2.gz MGYPMDGYEQPLRQ-IBGZPJMESA-N 2 2 404.574 3.869 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@H]2c2ccncc2)([NH+]2CCCCC2)CC1 ZINC000466140529 991323089 /nfs/dbraw/zinc/32/30/89/991323089.db2.gz MHHWOLGYQHVMHN-QFIPXVFZSA-N 2 2 413.610 3.659 20 0 HHADLP CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000466140512 991323185 /nfs/dbraw/zinc/32/31/85/991323185.db2.gz MGYPMDGYEQPLRQ-LJQANCHMSA-N 2 2 404.574 3.869 20 0 HHADLP C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466144516 991327315 /nfs/dbraw/zinc/32/73/15/991327315.db2.gz SCXGUBKXHNGPHV-SIKLNZKXSA-N 2 2 416.585 3.869 20 0 HHADLP Cc1cc(N2CCCC2)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466146604 991329189 /nfs/dbraw/zinc/32/91/89/991329189.db2.gz WVTJKYMMUNZVMQ-UHFFFAOYSA-N 2 2 413.610 3.667 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156914 991344147 /nfs/dbraw/zinc/34/41/47/991344147.db2.gz HYXIAIIBHXQNTC-KRWDZBQOSA-N 2 2 408.537 3.618 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466157899 991345344 /nfs/dbraw/zinc/34/53/44/991345344.db2.gz OOEYGAVVFUSOGY-FGZHOGPDSA-N 2 2 412.622 3.833 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228977 991452192 /nfs/dbraw/zinc/45/21/92/991452192.db2.gz VHBJHWOWOVOTPM-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228977 991452195 /nfs/dbraw/zinc/45/21/95/991452195.db2.gz VHBJHWOWOVOTPM-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466289417 991538269 /nfs/dbraw/zinc/53/82/69/991538269.db2.gz QPFKDMPHQDLVEI-JOCHJYFZSA-N 2 2 413.610 3.594 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466289417 991538278 /nfs/dbraw/zinc/53/82/78/991538278.db2.gz QPFKDMPHQDLVEI-JOCHJYFZSA-N 2 2 413.610 3.594 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000466977592 992288702 /nfs/dbraw/zinc/28/87/02/992288702.db2.gz SPZNYDIDVFDQQZ-HKUYNNGSSA-N 2 2 413.591 3.914 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@H+]1Cc1ccccc1 ZINC000466977592 992288707 /nfs/dbraw/zinc/28/87/07/992288707.db2.gz SPZNYDIDVFDQQZ-HKUYNNGSSA-N 2 2 413.591 3.914 20 0 HHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000467374793 992691625 /nfs/dbraw/zinc/69/16/25/992691625.db2.gz AURQTRCHXMNIQH-FYYLOGMGSA-N 2 2 409.574 3.917 20 0 HHADLP CN1CCO[C@H]([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000467748968 992996146 /nfs/dbraw/zinc/99/61/46/992996146.db2.gz KTOSGTKGSXHHFF-UPVQGACJSA-N 2 2 424.976 3.789 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856403 993087631 /nfs/dbraw/zinc/08/76/31/993087631.db2.gz YPPQUYKTFDASQC-CDXJDZJCSA-N 2 2 421.632 3.732 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856403 993087635 /nfs/dbraw/zinc/08/76/35/993087635.db2.gz YPPQUYKTFDASQC-CDXJDZJCSA-N 2 2 421.632 3.732 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287471 993303951 /nfs/dbraw/zinc/30/39/51/993303951.db2.gz ZWWHLOHKVVMIHA-GOEBONIOSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287471 993303958 /nfs/dbraw/zinc/30/39/58/993303958.db2.gz ZWWHLOHKVVMIHA-GOEBONIOSA-N 2 2 402.366 3.753 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1cccc(F)c1 ZINC000472348558 993351327 /nfs/dbraw/zinc/35/13/27/993351327.db2.gz JLISEBXAHINSDC-HOYKHHGWSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1cccc(F)c1 ZINC000472348558 993351330 /nfs/dbraw/zinc/35/13/30/993351330.db2.gz JLISEBXAHINSDC-HOYKHHGWSA-N 2 2 411.521 3.680 20 0 HHADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000472570227 993540746 /nfs/dbraw/zinc/54/07/46/993540746.db2.gz MLCPDAIUSFNNPF-BGYRXZFFSA-N 2 2 412.578 3.680 20 0 HHADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000472570227 993540752 /nfs/dbraw/zinc/54/07/52/993540752.db2.gz MLCPDAIUSFNNPF-BGYRXZFFSA-N 2 2 412.578 3.680 20 0 HHADLP CC[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472579381 993545182 /nfs/dbraw/zinc/54/51/82/993545182.db2.gz IKJMVAHJYUFIPE-FQEVSTJZSA-N 2 2 408.546 3.541 20 0 HHADLP CC[N@@H+](C[C@H](O)COc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472579381 993545186 /nfs/dbraw/zinc/54/51/86/993545186.db2.gz IKJMVAHJYUFIPE-FQEVSTJZSA-N 2 2 408.546 3.541 20 0 HHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767474 993632478 /nfs/dbraw/zinc/63/24/78/993632478.db2.gz MECHGYBHULVMGE-JTSKRJEESA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767474 993632483 /nfs/dbraw/zinc/63/24/83/993632483.db2.gz MECHGYBHULVMGE-JTSKRJEESA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163599 993995942 /nfs/dbraw/zinc/99/59/42/993995942.db2.gz AJJMLRGTLQGJOJ-NZQKXSOJSA-N 2 2 421.589 3.511 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163599 993995953 /nfs/dbraw/zinc/99/59/53/993995953.db2.gz AJJMLRGTLQGJOJ-NZQKXSOJSA-N 2 2 421.589 3.511 20 0 HHADLP O=C(C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481176321 994007103 /nfs/dbraw/zinc/00/71/03/994007103.db2.gz NTANODXEWDGNJF-NOZRDPDXSA-N 2 2 421.585 3.848 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195824 994029361 /nfs/dbraw/zinc/02/93/61/994029361.db2.gz YAWLRPKAGXIOAZ-JXFKEZNVSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195824 994029369 /nfs/dbraw/zinc/02/93/69/994029369.db2.gz YAWLRPKAGXIOAZ-JXFKEZNVSA-N 2 2 401.938 3.787 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000473302393 994160906 /nfs/dbraw/zinc/16/09/06/994160906.db2.gz DVIKVWLNSZJXNJ-FQEVSTJZSA-N 2 2 408.571 3.514 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000473302393 994160913 /nfs/dbraw/zinc/16/09/13/994160913.db2.gz DVIKVWLNSZJXNJ-FQEVSTJZSA-N 2 2 408.571 3.514 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2Br)CC1 ZINC000481412342 994246458 /nfs/dbraw/zinc/24/64/58/994246458.db2.gz ZVWOHEMQIUAGDS-LBPRGKRZSA-N 2 2 420.189 3.973 20 0 HHADLP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481529948 994360961 /nfs/dbraw/zinc/36/09/61/994360961.db2.gz BBTDCBWMOFCMFY-YKSBVNFPSA-N 2 2 409.574 3.639 20 0 HHADLP COc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481529948 994360965 /nfs/dbraw/zinc/36/09/65/994360965.db2.gz BBTDCBWMOFCMFY-YKSBVNFPSA-N 2 2 409.574 3.639 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692299 994552166 /nfs/dbraw/zinc/55/21/66/994552166.db2.gz JVRUCORXUUJWTL-RTWAWAEBSA-N 2 2 420.573 3.944 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692299 994552179 /nfs/dbraw/zinc/55/21/79/994552179.db2.gz JVRUCORXUUJWTL-RTWAWAEBSA-N 2 2 420.573 3.944 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)CC1 ZINC000473728672 994623462 /nfs/dbraw/zinc/62/34/62/994623462.db2.gz LNMDIPUYMUEBLF-UHFFFAOYSA-N 2 2 403.876 3.647 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000481823879 994674570 /nfs/dbraw/zinc/67/45/70/994674570.db2.gz LHEIASOHFIPVEL-OAQYLSRUSA-N 2 2 421.585 3.947 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)c2)CC1 ZINC000473838108 994772490 /nfs/dbraw/zinc/77/24/90/994772490.db2.gz VHNVCZNKDNZDDF-UHFFFAOYSA-N 2 2 411.550 3.513 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006731 994911060 /nfs/dbraw/zinc/91/10/60/994911060.db2.gz HXXUGFCMSIXWAI-SJLPKXTDSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006731 994911073 /nfs/dbraw/zinc/91/10/73/994911073.db2.gz HXXUGFCMSIXWAI-SJLPKXTDSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006731 994911083 /nfs/dbraw/zinc/91/10/83/994911083.db2.gz HXXUGFCMSIXWAI-SJLPKXTDSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006731 994911097 /nfs/dbraw/zinc/91/10/97/994911097.db2.gz HXXUGFCMSIXWAI-SJLPKXTDSA-N 2 2 416.518 3.568 20 0 HHADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC(F)F ZINC000482016053 994925713 /nfs/dbraw/zinc/92/57/13/994925713.db2.gz NCBKBRSQJVDUIQ-LPHOPBHVSA-N 2 2 405.489 3.734 20 0 HHADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC(F)F ZINC000482016053 994925729 /nfs/dbraw/zinc/92/57/29/994925729.db2.gz NCBKBRSQJVDUIQ-LPHOPBHVSA-N 2 2 405.489 3.734 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482020469 994933116 /nfs/dbraw/zinc/93/31/16/994933116.db2.gz YOZKYQSTIMJOSC-YLJYHZDGSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482020469 994933126 /nfs/dbraw/zinc/93/31/26/994933126.db2.gz YOZKYQSTIMJOSC-YLJYHZDGSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482023722 994937902 /nfs/dbraw/zinc/93/79/02/994937902.db2.gz BOYZOFUIULTYLT-VQIMIIECSA-N 2 2 400.592 3.712 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482023722 994937909 /nfs/dbraw/zinc/93/79/09/994937909.db2.gz BOYZOFUIULTYLT-VQIMIIECSA-N 2 2 400.592 3.712 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035372 994953219 /nfs/dbraw/zinc/95/32/19/994953219.db2.gz ABLRYDRBKIPZNN-NFBKMPQASA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035372 994953225 /nfs/dbraw/zinc/95/32/25/994953225.db2.gz ABLRYDRBKIPZNN-NFBKMPQASA-N 2 2 409.574 3.859 20 0 HHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482043150 994964680 /nfs/dbraw/zinc/96/46/80/994964680.db2.gz OBNUJYSACIPWFW-XXBNENTESA-N 2 2 409.574 3.956 20 0 HHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482043150 994964690 /nfs/dbraw/zinc/96/46/90/994964690.db2.gz OBNUJYSACIPWFW-XXBNENTESA-N 2 2 409.574 3.956 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000474250860 995248854 /nfs/dbraw/zinc/24/88/54/995248854.db2.gz OKKRJAGMGREGHX-UHFFFAOYSA-N 2 2 411.937 3.699 20 0 HHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325480 995307894 /nfs/dbraw/zinc/30/78/94/995307894.db2.gz IOEKWFDCFVOKID-PMACEKPBSA-N 2 2 401.551 3.805 20 0 HHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325480 995307903 /nfs/dbraw/zinc/30/79/03/995307903.db2.gz IOEKWFDCFVOKID-PMACEKPBSA-N 2 2 401.551 3.805 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474539828 995507135 /nfs/dbraw/zinc/50/71/35/995507135.db2.gz GMBFAUNKISWBGX-YEYPGUGLSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474539828 995507141 /nfs/dbraw/zinc/50/71/41/995507141.db2.gz GMBFAUNKISWBGX-YEYPGUGLSA-N 2 2 408.949 3.540 20 0 HHADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000482517622 995527791 /nfs/dbraw/zinc/52/77/91/995527791.db2.gz HLOQNWVYBKJWFO-UHFFFAOYSA-N 2 2 421.994 3.877 20 0 HHADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000482517622 995527801 /nfs/dbraw/zinc/52/78/01/995527801.db2.gz HLOQNWVYBKJWFO-UHFFFAOYSA-N 2 2 421.994 3.877 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCS(=O)(=O)CC1 ZINC000474721423 995658398 /nfs/dbraw/zinc/65/83/98/995658398.db2.gz TZHVIHKPJFFKJI-IBGZPJMESA-N 2 2 423.582 3.901 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)ccc3OCC3CC3)cn2)CC1 ZINC000482682497 995675271 /nfs/dbraw/zinc/67/52/71/995675271.db2.gz VMMKIOGIBLXFPY-UHFFFAOYSA-N 2 2 400.954 3.565 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cn2c1 ZINC000474783507 995708795 /nfs/dbraw/zinc/70/87/95/995708795.db2.gz LTDMROJYDZAZEF-WZONZLPQSA-N 2 2 410.587 3.992 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000474789169 995711997 /nfs/dbraw/zinc/71/19/97/995711997.db2.gz VNFZSSORPOBVLV-LAUBAEHRSA-N 2 2 422.573 3.742 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)CC2 ZINC000474789169 995712002 /nfs/dbraw/zinc/71/20/02/995712002.db2.gz VNFZSSORPOBVLV-LAUBAEHRSA-N 2 2 422.573 3.742 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000482885428 995817776 /nfs/dbraw/zinc/81/77/76/995817776.db2.gz HBAIXBDZRYTZMZ-AWEZNQCLSA-N 2 2 404.407 3.965 20 0 HHADLP COC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013085 995869611 /nfs/dbraw/zinc/86/96/11/995869611.db2.gz IHJFSFUHLFXFMI-PIIVXVCUSA-N 2 2 422.658 3.560 20 0 HHADLP COC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013085 995869614 /nfs/dbraw/zinc/86/96/14/995869614.db2.gz IHJFSFUHLFXFMI-PIIVXVCUSA-N 2 2 422.658 3.560 20 0 HHADLP C[C@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056154 995894501 /nfs/dbraw/zinc/89/45/01/995894501.db2.gz DFXQLOLZKYONKH-ILBGXUMGSA-N 2 2 422.617 3.911 20 0 HHADLP C[C@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056154 995894506 /nfs/dbraw/zinc/89/45/06/995894506.db2.gz DFXQLOLZKYONKH-ILBGXUMGSA-N 2 2 422.617 3.911 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475130629 995941816 /nfs/dbraw/zinc/94/18/16/995941816.db2.gz WSOYKFFYHWYQLV-DEOSSOPVSA-N 2 2 407.562 3.581 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475130629 995941820 /nfs/dbraw/zinc/94/18/20/995941820.db2.gz WSOYKFFYHWYQLV-DEOSSOPVSA-N 2 2 407.562 3.581 20 0 HHADLP CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182265 995978979 /nfs/dbraw/zinc/97/89/79/995978979.db2.gz KWUAUVVSVHWXKX-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182265 995978987 /nfs/dbraw/zinc/97/89/87/995978987.db2.gz KWUAUVVSVHWXKX-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121722 995988513 /nfs/dbraw/zinc/98/85/13/995988513.db2.gz QJXVCCLCPGFAHA-AUSIDOKSSA-N 2 2 413.587 3.542 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483121722 995988519 /nfs/dbraw/zinc/98/85/19/995988519.db2.gz QJXVCCLCPGFAHA-AUSIDOKSSA-N 2 2 413.587 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161195 996010555 /nfs/dbraw/zinc/01/05/55/996010555.db2.gz SPCAPVJHNRWZKW-HOJAQTOUSA-N 2 2 416.516 3.762 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161195 996010559 /nfs/dbraw/zinc/01/05/59/996010559.db2.gz SPCAPVJHNRWZKW-HOJAQTOUSA-N 2 2 416.516 3.762 20 0 HHADLP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000483262109 996068369 /nfs/dbraw/zinc/06/83/69/996068369.db2.gz VJCUNQRZEDWQRK-INIZCTEOSA-N 2 2 409.290 3.967 20 0 HHADLP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475345466 996080628 /nfs/dbraw/zinc/08/06/28/996080628.db2.gz AWZDJBWUTYUXRN-UHFFFAOYSA-N 2 2 408.468 3.980 20 0 HHADLP CC(C)n1cc2cc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc2n1 ZINC000475391172 996108822 /nfs/dbraw/zinc/10/88/22/996108822.db2.gz SLULZTKERHCKEH-UHFFFAOYSA-N 2 2 412.582 3.689 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 ZINC000483438429 996178919 /nfs/dbraw/zinc/17/89/19/996178919.db2.gz NCBXTIAJJRODBK-AZUAARDMSA-N 2 2 416.591 3.594 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000483541242 996240520 /nfs/dbraw/zinc/24/05/20/996240520.db2.gz GAZOOHPEVFJAOB-UHFFFAOYSA-N 2 2 412.335 3.660 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C ZINC000483676762 996323249 /nfs/dbraw/zinc/32/32/49/996323249.db2.gz GTXAXSPPYIKMKU-JOCHJYFZSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C ZINC000483676762 996323255 /nfs/dbraw/zinc/32/32/55/996323255.db2.gz GTXAXSPPYIKMKU-JOCHJYFZSA-N 2 2 410.562 3.759 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722544 996349778 /nfs/dbraw/zinc/34/97/78/996349778.db2.gz HTKVRMFNMVGOIH-XPIZARPCSA-N 2 2 422.616 3.894 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722544 996349780 /nfs/dbraw/zinc/34/97/80/996349780.db2.gz HTKVRMFNMVGOIH-XPIZARPCSA-N 2 2 422.616 3.894 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1-c1ncco1 ZINC000483788137 996387964 /nfs/dbraw/zinc/38/79/64/996387964.db2.gz DTXJRUKRWHBQTG-UHFFFAOYSA-N 2 2 411.550 3.722 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000483863214 996433654 /nfs/dbraw/zinc/43/36/54/996433654.db2.gz BNGLLBRQYDMHIU-JAXLGGSGSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000483863214 996433658 /nfs/dbraw/zinc/43/36/58/996433658.db2.gz BNGLLBRQYDMHIU-JAXLGGSGSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000475929458 996478919 /nfs/dbraw/zinc/47/89/19/996478919.db2.gz LMJGWJAKAYVXEN-WVVQBRDUSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000475929458 996478923 /nfs/dbraw/zinc/47/89/23/996478923.db2.gz LMJGWJAKAYVXEN-WVVQBRDUSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000475929458 996478925 /nfs/dbraw/zinc/47/89/25/996478925.db2.gz LMJGWJAKAYVXEN-WVVQBRDUSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000475929458 996478930 /nfs/dbraw/zinc/47/89/30/996478930.db2.gz LMJGWJAKAYVXEN-WVVQBRDUSA-N 2 2 406.574 3.950 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000483961849 996493323 /nfs/dbraw/zinc/49/33/23/996493323.db2.gz XQPHYWZLHOVJIM-UHFFFAOYSA-N 2 2 406.505 3.597 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000483961849 996493327 /nfs/dbraw/zinc/49/33/27/996493327.db2.gz XQPHYWZLHOVJIM-UHFFFAOYSA-N 2 2 406.505 3.597 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000484072353 996554392 /nfs/dbraw/zinc/55/43/92/996554392.db2.gz OJELPGZIJIBPOO-UHFFFAOYSA-N 2 2 408.571 3.813 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000476052404 996568752 /nfs/dbraw/zinc/56/87/52/996568752.db2.gz RVKFXCICAOQNML-DOTOQJQBSA-N 2 2 404.505 3.736 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000476052404 996568753 /nfs/dbraw/zinc/56/87/53/996568753.db2.gz RVKFXCICAOQNML-DOTOQJQBSA-N 2 2 404.505 3.736 20 0 HHADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000484125665 996584216 /nfs/dbraw/zinc/58/42/16/996584216.db2.gz HJQSFTOJJOJVGI-PMACEKPBSA-N 2 2 405.546 3.818 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125843 996584300 /nfs/dbraw/zinc/58/43/00/996584300.db2.gz CNGFXYOZUNEOBM-VNZMSGEBSA-N 2 2 422.573 3.504 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125843 996584303 /nfs/dbraw/zinc/58/43/03/996584303.db2.gz CNGFXYOZUNEOBM-VNZMSGEBSA-N 2 2 422.573 3.504 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000484134488 996589792 /nfs/dbraw/zinc/58/97/92/996589792.db2.gz QMRLCVKTKKCBRT-YUXAGFNASA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000484134488 996589807 /nfs/dbraw/zinc/58/98/07/996589807.db2.gz QMRLCVKTKKCBRT-YUXAGFNASA-N 2 2 415.375 3.909 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000476168910 996650707 /nfs/dbraw/zinc/65/07/07/996650707.db2.gz UCAVTKSGCUKQII-CVDCTZTESA-N 2 2 405.546 3.730 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000476216065 996682807 /nfs/dbraw/zinc/68/28/07/996682807.db2.gz GFMAUPFPHUXHFQ-MRXNPFEDSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000476216065 996682811 /nfs/dbraw/zinc/68/28/11/996682811.db2.gz GFMAUPFPHUXHFQ-MRXNPFEDSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000476225982 996688970 /nfs/dbraw/zinc/68/89/70/996688970.db2.gz UMEMTAOIOCLLIG-GOSISDBHSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000476225982 996688973 /nfs/dbraw/zinc/68/89/73/996688973.db2.gz UMEMTAOIOCLLIG-GOSISDBHSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000476225986 996689136 /nfs/dbraw/zinc/68/91/36/996689136.db2.gz UMEMTAOIOCLLIG-SFHVURJKSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000476225986 996689141 /nfs/dbraw/zinc/68/91/41/996689141.db2.gz UMEMTAOIOCLLIG-SFHVURJKSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000476242568 996701369 /nfs/dbraw/zinc/70/13/69/996701369.db2.gz AUQLNMRVGQBUKD-MGPUTAFESA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000476242568 996701375 /nfs/dbraw/zinc/70/13/75/996701375.db2.gz AUQLNMRVGQBUKD-MGPUTAFESA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000476267582 996718523 /nfs/dbraw/zinc/71/85/23/996718523.db2.gz VSUGRQUKUUFVAM-QAPCUYQASA-N 2 2 412.484 3.792 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000476267582 996718538 /nfs/dbraw/zinc/71/85/38/996718538.db2.gz VSUGRQUKUUFVAM-QAPCUYQASA-N 2 2 412.484 3.792 20 0 HHADLP Cc1nc(-c2ccccc2C)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000476360885 996789624 /nfs/dbraw/zinc/78/96/24/996789624.db2.gz CCPHCSAIRNKHHX-UHFFFAOYSA-N 2 2 400.592 3.525 20 0 HHADLP Cc1nc(-c2ccccc2C)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476360885 996789635 /nfs/dbraw/zinc/78/96/35/996789635.db2.gz CCPHCSAIRNKHHX-UHFFFAOYSA-N 2 2 400.592 3.525 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000484724548 997065379 /nfs/dbraw/zinc/06/53/79/997065379.db2.gz HNRJELXKBPHDTE-NRFANRHFSA-N 2 2 417.557 3.692 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000484894275 997262148 /nfs/dbraw/zinc/26/21/48/997262148.db2.gz YFGJXXCAXCOTND-QHCPKHFHSA-N 2 2 421.545 3.762 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000476798943 997347502 /nfs/dbraw/zinc/34/75/02/997347502.db2.gz QBOAXYXBDUIDPD-QFIPXVFZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000476798943 997347510 /nfs/dbraw/zinc/34/75/10/997347510.db2.gz QBOAXYXBDUIDPD-QFIPXVFZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n(C(C)(C)C)n1 ZINC000476978129 997597477 /nfs/dbraw/zinc/59/74/77/997597477.db2.gz AIZZDFJJKJIZHR-IBGZPJMESA-N 2 2 403.615 3.862 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n(C(C)(C)C)n1 ZINC000476978129 997597489 /nfs/dbraw/zinc/59/74/89/997597489.db2.gz AIZZDFJJKJIZHR-IBGZPJMESA-N 2 2 403.615 3.862 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339530 997757371 /nfs/dbraw/zinc/75/73/71/997757371.db2.gz DIINTBGZVZXWNZ-OFNKIYASSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339530 997757381 /nfs/dbraw/zinc/75/73/81/997757381.db2.gz DIINTBGZVZXWNZ-OFNKIYASSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339530 997757388 /nfs/dbraw/zinc/75/73/88/997757388.db2.gz DIINTBGZVZXWNZ-OFNKIYASSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339530 997757397 /nfs/dbraw/zinc/75/73/97/997757397.db2.gz DIINTBGZVZXWNZ-OFNKIYASSA-N 2 2 402.542 3.864 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000477135666 997792349 /nfs/dbraw/zinc/79/23/49/997792349.db2.gz QCHFIUHBRQHHJB-QFIPXVFZSA-N 2 2 421.585 3.573 20 0 HHADLP CC(C)[NH+](CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(C)C ZINC000485372253 997798029 /nfs/dbraw/zinc/79/80/29/997798029.db2.gz BBZZAFBQCWIFIO-UHFFFAOYSA-N 2 2 405.974 3.867 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccco1 ZINC000485389431 997817358 /nfs/dbraw/zinc/81/73/58/997817358.db2.gz ZOAFRWSJCOZBQY-LJQANCHMSA-N 2 2 415.925 3.644 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000485484511 997936331 /nfs/dbraw/zinc/93/63/31/997936331.db2.gz ACWCOZMTMOFQGK-HSZRJFAPSA-N 2 2 423.605 3.960 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccccc2)CC1 ZINC000485615158 998062054 /nfs/dbraw/zinc/06/20/54/998062054.db2.gz PSBPZGQMDDILSQ-GMAHTHKFSA-N 2 2 423.605 3.857 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999242 998443424 /nfs/dbraw/zinc/44/34/24/998443424.db2.gz DFNBGCSBNUXDDD-SQOUVECCSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999242 998443427 /nfs/dbraw/zinc/44/34/27/998443427.db2.gz DFNBGCSBNUXDDD-SQOUVECCSA-N 2 2 424.593 3.616 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000486008966 998452384 /nfs/dbraw/zinc/45/23/84/998452384.db2.gz RHLCUMFLHLJYKJ-ADGBJGEGSA-N 2 2 423.605 3.541 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000486008966 998452392 /nfs/dbraw/zinc/45/23/92/998452392.db2.gz RHLCUMFLHLJYKJ-ADGBJGEGSA-N 2 2 423.605 3.541 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000478049576 998735790 /nfs/dbraw/zinc/73/57/90/998735790.db2.gz WPCLKIAIJVUECN-LJQANCHMSA-N 2 2 401.599 3.913 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000478049576 998735793 /nfs/dbraw/zinc/73/57/93/998735793.db2.gz WPCLKIAIJVUECN-LJQANCHMSA-N 2 2 401.599 3.913 20 0 HHADLP C[C@@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478180529 998807011 /nfs/dbraw/zinc/80/70/11/998807011.db2.gz QHFARZLZDKJFFQ-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478180529 998807013 /nfs/dbraw/zinc/80/70/13/998807013.db2.gz QHFARZLZDKJFFQ-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CCO1 ZINC000486770592 998932814 /nfs/dbraw/zinc/93/28/14/998932814.db2.gz RQDLXNBQNRGNJC-OAQYLSRUSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CCO1 ZINC000486770592 998932820 /nfs/dbraw/zinc/93/28/20/998932820.db2.gz RQDLXNBQNRGNJC-OAQYLSRUSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@@H]1C[NH+](CCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CCO1 ZINC000486770592 998932826 /nfs/dbraw/zinc/93/28/26/998932826.db2.gz RQDLXNBQNRGNJC-OAQYLSRUSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@@H]1C[NH+](CCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CCO1 ZINC000486770592 998932832 /nfs/dbraw/zinc/93/28/32/998932832.db2.gz RQDLXNBQNRGNJC-OAQYLSRUSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486978885 999025873 /nfs/dbraw/zinc/02/58/73/999025873.db2.gz YOWSSPKDWNRSCT-NRFANRHFSA-N 2 2 414.569 3.619 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000478749346 999121061 /nfs/dbraw/zinc/12/10/61/999121061.db2.gz LAISHFOTSLPRFY-WMZHIEFXSA-N 2 2 405.546 3.730 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219232 /nfs/dbraw/zinc/21/92/32/999219232.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 3 2 413.009 3.704 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219239 /nfs/dbraw/zinc/21/92/39/999219239.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 3 2 413.009 3.704 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000487668930 999247906 /nfs/dbraw/zinc/24/79/06/999247906.db2.gz VGOAIHHZCDKCHF-UHFFFAOYSA-N 2 2 412.622 3.745 20 0 HHADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000487770751 999283372 /nfs/dbraw/zinc/28/33/72/999283372.db2.gz JDRHOKUUIOVCHJ-LJQANCHMSA-N 2 2 408.384 3.564 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000487936381 999321401 /nfs/dbraw/zinc/32/14/01/999321401.db2.gz WDIYTIVGHOMELG-GOSISDBHSA-N 2 2 415.965 3.734 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000487936381 999321403 /nfs/dbraw/zinc/32/14/03/999321403.db2.gz WDIYTIVGHOMELG-GOSISDBHSA-N 2 2 415.965 3.734 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000479317011 999381693 /nfs/dbraw/zinc/38/16/93/999381693.db2.gz OCLXHWMOQWEZFQ-QGZVFWFLSA-N 2 2 418.548 3.557 20 0 HHADLP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479332832 999390023 /nfs/dbraw/zinc/39/00/23/999390023.db2.gz UXUGYIOOZJKTCZ-DEOSSOPVSA-N 2 2 402.542 3.872 20 0 HHADLP CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488444180 999488806 /nfs/dbraw/zinc/48/88/06/999488806.db2.gz WHIUUMBRMSSYOB-UHFFFAOYSA-N 2 2 409.509 3.933 20 0 HHADLP CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488444180 999488808 /nfs/dbraw/zinc/48/88/08/999488808.db2.gz WHIUUMBRMSSYOB-UHFFFAOYSA-N 2 2 409.509 3.933 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479810315 999606203 /nfs/dbraw/zinc/60/62/03/999606203.db2.gz LFWVCVWUUKBULH-SFTDATJTSA-N 2 2 408.537 3.665 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479810315 999606206 /nfs/dbraw/zinc/60/62/06/999606206.db2.gz LFWVCVWUUKBULH-SFTDATJTSA-N 2 2 408.537 3.665 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830673 999615959 /nfs/dbraw/zinc/61/59/59/999615959.db2.gz LAMOVOSVCIRWDG-TYCQWZJGSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830673 999615960 /nfs/dbraw/zinc/61/59/60/999615960.db2.gz LAMOVOSVCIRWDG-TYCQWZJGSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830673 999615961 /nfs/dbraw/zinc/61/59/61/999615961.db2.gz LAMOVOSVCIRWDG-TYCQWZJGSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830673 999615962 /nfs/dbraw/zinc/61/59/62/999615962.db2.gz LAMOVOSVCIRWDG-TYCQWZJGSA-N 2 2 408.537 3.521 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147337 999711771 /nfs/dbraw/zinc/71/17/71/999711771.db2.gz KCGOLTUHLQBRGW-FGZHOGPDSA-N 2 2 400.611 3.702 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147337 999711775 /nfs/dbraw/zinc/71/17/75/999711775.db2.gz KCGOLTUHLQBRGW-FGZHOGPDSA-N 2 2 400.611 3.702 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000480084197 999712795 /nfs/dbraw/zinc/71/27/95/999712795.db2.gz PIGVXICSTSBQII-OPXMRZJTSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000480084197 999712799 /nfs/dbraw/zinc/71/27/99/999712799.db2.gz PIGVXICSTSBQII-OPXMRZJTSA-N 2 2 408.590 3.727 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000489300400 999740538 /nfs/dbraw/zinc/74/05/38/999740538.db2.gz YZVKYCYXDJWFJY-NHCUHLMSSA-N 2 2 408.590 3.928 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000489300400 999740540 /nfs/dbraw/zinc/74/05/40/999740540.db2.gz YZVKYCYXDJWFJY-NHCUHLMSSA-N 2 2 408.590 3.928 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480228485 999750609 /nfs/dbraw/zinc/75/06/09/999750609.db2.gz NXPMVRISJRFYHN-LJQANCHMSA-N 2 2 406.574 3.779 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753902 /nfs/dbraw/zinc/75/39/02/999753902.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753904 /nfs/dbraw/zinc/75/39/04/999753904.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753906 /nfs/dbraw/zinc/75/39/06/999753906.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000480239909 999753907 /nfs/dbraw/zinc/75/39/07/999753907.db2.gz GNSZAIYQVTXCER-ZUVQJFRASA-N 3 2 422.617 3.691 20 0 HHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(C)=O ZINC000480241720 999754472 /nfs/dbraw/zinc/75/44/72/999754472.db2.gz OCLSPRHRIJISRY-IBGZPJMESA-N 2 2 410.562 3.517 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2nccn2C)cc1 ZINC000480342773 999775610 /nfs/dbraw/zinc/77/56/10/999775610.db2.gz IPQXXNXLXGOBNA-WZONZLPQSA-N 2 2 408.546 3.809 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)c1 ZINC000489728081 999825998 /nfs/dbraw/zinc/82/59/98/999825998.db2.gz JUJVUKXDHAONDG-UZVYXBEXSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)c1 ZINC000489728081 999825999 /nfs/dbraw/zinc/82/59/99/999825999.db2.gz JUJVUKXDHAONDG-UZVYXBEXSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480605952 999839155 /nfs/dbraw/zinc/83/91/55/999839155.db2.gz HEZBLIWIVIIYPR-INIZCTEOSA-N 2 2 400.592 3.813 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)F ZINC000480638678 999848066 /nfs/dbraw/zinc/84/80/66/999848066.db2.gz ISMQQLLGFJMICA-HXUWFJFHSA-N 2 2 417.500 3.917 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000480708549 999864701 /nfs/dbraw/zinc/86/47/01/999864701.db2.gz LXCQMOZWNPIKQA-LJQANCHMSA-N 2 2 403.368 3.837 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000490902998 1000021480 /nfs/dbraw/zinc/02/14/80/1000021480.db2.gz OVCPVSUTKUYOOU-QHCPKHFHSA-N 2 2 402.542 3.654 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051888 1000039504 /nfs/dbraw/zinc/03/95/04/1000039504.db2.gz KLICFDRDZVNVLJ-GHTZIAJQSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051888 1000039506 /nfs/dbraw/zinc/03/95/06/1000039506.db2.gz KLICFDRDZVNVLJ-GHTZIAJQSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056690 1000040303 /nfs/dbraw/zinc/04/03/03/1000040303.db2.gz CGWACDQIRAOHNY-WIYYLYMNSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056690 1000040305 /nfs/dbraw/zinc/04/03/05/1000040305.db2.gz CGWACDQIRAOHNY-WIYYLYMNSA-N 2 2 403.929 3.746 20 0 HHADLP COc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccc(F)cc2)cc1 ZINC000491309882 1000063697 /nfs/dbraw/zinc/06/36/97/1000063697.db2.gz ZOOXCRMFZDRGLA-RUZDIDTESA-N 2 2 420.532 3.860 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CC2)CC1 ZINC000505151343 1000580233 /nfs/dbraw/zinc/58/02/33/1000580233.db2.gz PVIUVULFVURDGO-VNXZQDSDSA-N 2 2 415.647 3.936 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999232 1000771141 /nfs/dbraw/zinc/77/11/41/1000771141.db2.gz OBRCFTWYKJRCBF-LAUBAEHRSA-N 2 2 406.530 3.798 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999232 1000771149 /nfs/dbraw/zinc/77/11/49/1000771149.db2.gz OBRCFTWYKJRCBF-LAUBAEHRSA-N 2 2 406.530 3.798 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000495005454 1000774543 /nfs/dbraw/zinc/77/45/43/1000774543.db2.gz OWXKQURUDBUGBK-INIZCTEOSA-N 2 2 406.452 3.799 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000495005454 1000774547 /nfs/dbraw/zinc/77/45/47/1000774547.db2.gz OWXKQURUDBUGBK-INIZCTEOSA-N 2 2 406.452 3.799 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850844 1001060258 /nfs/dbraw/zinc/06/02/58/1001060258.db2.gz JHDQUXRALWLEOV-MBHJOXKWSA-N 2 2 405.542 3.635 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850844 1001060263 /nfs/dbraw/zinc/06/02/63/1001060263.db2.gz JHDQUXRALWLEOV-MBHJOXKWSA-N 2 2 405.542 3.635 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774177 1001075075 /nfs/dbraw/zinc/07/50/75/1001075075.db2.gz HSXYEXBWERLPBI-NDXORKPFSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774177 1001075083 /nfs/dbraw/zinc/07/50/83/1001075083.db2.gz HSXYEXBWERLPBI-NDXORKPFSA-N 2 2 407.549 3.864 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1occc1CSc1ccccc1 ZINC000495803219 1001078159 /nfs/dbraw/zinc/07/81/59/1001078159.db2.gz GNNQUWVZYGCLOH-UHFFFAOYSA-N 2 2 401.576 3.670 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1occc1CSc1ccccc1 ZINC000495803219 1001078164 /nfs/dbraw/zinc/07/81/64/1001078164.db2.gz GNNQUWVZYGCLOH-UHFFFAOYSA-N 2 2 401.576 3.670 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506048075 1001190070 /nfs/dbraw/zinc/19/00/70/1001190070.db2.gz UIXXBZOXXOHGRC-QGZVFWFLSA-N 2 2 423.985 3.500 20 0 HHADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497049947 1001262472 /nfs/dbraw/zinc/26/24/72/1001262472.db2.gz SSIYRTNFRIYDQK-IBGZPJMESA-N 2 2 421.541 3.574 20 0 HHADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497049947 1001262475 /nfs/dbraw/zinc/26/24/75/1001262475.db2.gz SSIYRTNFRIYDQK-IBGZPJMESA-N 2 2 421.541 3.574 20 0 HHADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](C5CC[NH+](C)CC5)CC4)cc3c2C1 ZINC000497425287 1001356955 /nfs/dbraw/zinc/35/69/55/1001356955.db2.gz LLFZYIHWTOWUQK-QGZVFWFLSA-N 2 2 408.590 3.581 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497466506 1001381703 /nfs/dbraw/zinc/38/17/03/1001381703.db2.gz HNRDESVEFNRWCC-YADHBBJMSA-N 2 2 408.452 3.701 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497466506 1001381708 /nfs/dbraw/zinc/38/17/08/1001381708.db2.gz HNRDESVEFNRWCC-YADHBBJMSA-N 2 2 408.452 3.701 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471123 1001384309 /nfs/dbraw/zinc/38/43/09/1001384309.db2.gz RUWJUYZYGPZMCS-FPOVZHCZSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471123 1001384314 /nfs/dbraw/zinc/38/43/14/1001384314.db2.gz RUWJUYZYGPZMCS-FPOVZHCZSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)CCCC1CCN(c2cc(N3CCC(CCC[NH+](C)C)CC3)[nH+]cn2)CC1 ZINC000497756501 1001505642 /nfs/dbraw/zinc/50/56/42/1001505642.db2.gz IQSIQCKTAYRSCX-UHFFFAOYSA-N 3 2 416.658 3.593 20 0 HHADLP Brc1ccc2[nH+]ccc(NCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000506864971 1001571523 /nfs/dbraw/zinc/57/15/23/1001571523.db2.gz APFLDZMVUPBAFP-UHFFFAOYSA-N 2 2 412.331 3.864 20 0 HHADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)cc1 ZINC000506940570 1001606382 /nfs/dbraw/zinc/60/63/82/1001606382.db2.gz UVQBGKPQXMCKLU-UHFFFAOYSA-N 2 2 403.979 3.959 20 0 HHADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)cc1 ZINC000506940570 1001606401 /nfs/dbraw/zinc/60/64/01/1001606401.db2.gz UVQBGKPQXMCKLU-UHFFFAOYSA-N 2 2 403.979 3.959 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507057750 1001785762 /nfs/dbraw/zinc/78/57/62/1001785762.db2.gz LJIDZHHILYSERV-AZUAARDMSA-N 2 2 411.550 3.539 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)([NH+]2CCCCC2)CC1 ZINC000498386640 1001816467 /nfs/dbraw/zinc/81/64/67/1001816467.db2.gz QOITYKAKGLNVQY-RBZQAINGSA-N 2 2 424.633 3.914 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507116626 1001818445 /nfs/dbraw/zinc/81/84/45/1001818445.db2.gz BNUGQPNRLLVXGH-PZJWPPBQSA-N 2 2 401.599 3.619 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125433 1001823935 /nfs/dbraw/zinc/82/39/35/1001823935.db2.gz HEXZJDJQGBRSQF-VXKWHMMOSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125433 1001823946 /nfs/dbraw/zinc/82/39/46/1001823946.db2.gz HEXZJDJQGBRSQF-VXKWHMMOSA-N 2 2 421.589 3.773 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000507230610 1001917294 /nfs/dbraw/zinc/91/72/94/1001917294.db2.gz OOSZWBKIRMIOOV-IPQPSQTFSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000507230610 1001917282 /nfs/dbraw/zinc/91/72/82/1001917282.db2.gz OOSZWBKIRMIOOV-IPQPSQTFSA-N 2 2 408.384 3.573 20 0 HHADLP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303951 1001985382 /nfs/dbraw/zinc/98/53/82/1001985382.db2.gz KGLCLOHFRGWBQX-MSYCTHLASA-N 2 2 401.599 3.619 20 0 HHADLP c1ccc(CCOCCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498578558 1001992752 /nfs/dbraw/zinc/99/27/52/1001992752.db2.gz VKOOLTARSLBSCE-RUZDIDTESA-N 2 2 422.617 3.565 20 0 HHADLP c1ccc(CCOCCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498578558 1001992765 /nfs/dbraw/zinc/99/27/65/1001992765.db2.gz VKOOLTARSLBSCE-RUZDIDTESA-N 2 2 422.617 3.565 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000507470804 1002091154 /nfs/dbraw/zinc/09/11/54/1002091154.db2.gz NQEHLBOPGUHTFI-VLCRHTCISA-N 2 2 418.990 3.614 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000507470804 1002091165 /nfs/dbraw/zinc/09/11/65/1002091165.db2.gz NQEHLBOPGUHTFI-VLCRHTCISA-N 2 2 418.990 3.614 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534581 /nfs/dbraw/zinc/53/45/81/1002534581.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 3 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534592 /nfs/dbraw/zinc/53/45/92/1002534592.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 3 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534599 /nfs/dbraw/zinc/53/45/99/1002534599.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 2 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534610 /nfs/dbraw/zinc/53/46/10/1002534610.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 2 2 419.617 3.509 20 0 HHADLP CN(C(=O)NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508038028 1002559936 /nfs/dbraw/zinc/55/99/36/1002559936.db2.gz MDGSJFUZLSDOQF-MISYRCLQSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508038028 1002559922 /nfs/dbraw/zinc/55/99/22/1002559922.db2.gz MDGSJFUZLSDOQF-MISYRCLQSA-N 2 2 414.585 3.791 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2/C=C/c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000508305258 1002812093 /nfs/dbraw/zinc/81/20/93/1002812093.db2.gz KOJFECSTSVYTHN-OTOIZHKDSA-N 2 2 410.606 3.824 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508519986 1003000574 /nfs/dbraw/zinc/00/05/74/1003000574.db2.gz MXYSXUNEYPLSLA-LBPRGKRZSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508519986 1003000598 /nfs/dbraw/zinc/00/05/98/1003000598.db2.gz MXYSXUNEYPLSLA-LBPRGKRZSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508519986 1003000568 /nfs/dbraw/zinc/00/05/68/1003000568.db2.gz MXYSXUNEYPLSLA-LBPRGKRZSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508519986 1003000586 /nfs/dbraw/zinc/00/05/86/1003000586.db2.gz MXYSXUNEYPLSLA-LBPRGKRZSA-N 2 2 420.189 3.994 20 0 HHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000508663907 1003105685 /nfs/dbraw/zinc/10/56/85/1003105685.db2.gz RDSSQCHQLGLTDC-IBGZPJMESA-N 2 2 421.383 3.841 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000508852030 1003272630 /nfs/dbraw/zinc/27/26/30/1003272630.db2.gz IQMYPSMDUXLNLS-WIYYLYMNSA-N 2 2 400.592 3.575 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877420 1003297577 /nfs/dbraw/zinc/29/75/77/1003297577.db2.gz YBFZTVSQXMIJBL-UEXGIBASSA-N 2 2 400.592 3.828 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508970541 1003441509 /nfs/dbraw/zinc/44/15/09/1003441509.db2.gz GAJJTNQESVCVIW-PMACEKPBSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508970541 1003441502 /nfs/dbraw/zinc/44/15/02/1003441502.db2.gz GAJJTNQESVCVIW-PMACEKPBSA-N 2 2 414.585 3.791 20 0 HHADLP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000509006556 1003477973 /nfs/dbraw/zinc/47/79/73/1003477973.db2.gz BORDXIYHEJSADB-LJQANCHMSA-N 2 2 413.562 3.575 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)ccc(Br)c3F)[nH+]c2)C1 ZINC000500437806 1003717330 /nfs/dbraw/zinc/71/73/30/1003717330.db2.gz FOSLFEAPCADSED-ZDUSSCGKSA-N 2 2 411.294 3.875 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511850911 1003830695 /nfs/dbraw/zinc/83/06/95/1003830695.db2.gz VCKGMXWJSHFXPM-WOJBJXKFSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511850911 1003830712 /nfs/dbraw/zinc/83/07/12/1003830712.db2.gz VCKGMXWJSHFXPM-WOJBJXKFSA-N 2 2 421.948 3.897 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509470766 1003886430 /nfs/dbraw/zinc/88/64/30/1003886430.db2.gz MLCIBYCQHPLDCR-HXUWFJFHSA-N 2 2 416.363 3.546 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509470766 1003886443 /nfs/dbraw/zinc/88/64/43/1003886443.db2.gz MLCIBYCQHPLDCR-HXUWFJFHSA-N 2 2 416.363 3.546 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000500704162 1003906745 /nfs/dbraw/zinc/90/67/45/1003906745.db2.gz ZMCPITMDZFMAOK-PMACEKPBSA-N 2 2 423.605 3.739 20 0 HHADLP CC(C)N1C(=O)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511987213 1003938216 /nfs/dbraw/zinc/93/82/16/1003938216.db2.gz FVJHXJDQHSVKDD-PXNSSMCTSA-N 2 2 424.973 3.837 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000512124043 1004039956 /nfs/dbraw/zinc/03/99/56/1004039956.db2.gz PUIHLYBYVQDZHI-UHFFFAOYSA-N 2 2 416.953 3.633 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509786503 1004096372 /nfs/dbraw/zinc/09/63/72/1004096372.db2.gz DIWKLHPGWYRZCR-QFIPXVFZSA-N 2 2 407.562 3.536 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794658 1004101829 /nfs/dbraw/zinc/10/18/29/1004101829.db2.gz MCHIEGAULJTJJG-VIZSFHNOSA-N 2 2 421.589 3.638 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000512202066 1004103765 /nfs/dbraw/zinc/10/37/65/1004103765.db2.gz YUEAWJXCCCMOGU-NRFANRHFSA-N 2 2 409.578 3.874 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000512202066 1004103773 /nfs/dbraw/zinc/10/37/73/1004103773.db2.gz YUEAWJXCCCMOGU-NRFANRHFSA-N 2 2 409.578 3.874 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237731 1004139686 /nfs/dbraw/zinc/13/96/86/1004139686.db2.gz VKEPEGMKILOGMH-QFQXNSOFSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237731 1004139691 /nfs/dbraw/zinc/13/96/91/1004139691.db2.gz VKEPEGMKILOGMH-QFQXNSOFSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237731 1004139699 /nfs/dbraw/zinc/13/96/99/1004139699.db2.gz VKEPEGMKILOGMH-QFQXNSOFSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237731 1004139704 /nfs/dbraw/zinc/13/97/04/1004139704.db2.gz VKEPEGMKILOGMH-QFQXNSOFSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000509848078 1004145793 /nfs/dbraw/zinc/14/57/93/1004145793.db2.gz AZKKITHVCGWILZ-TXTKFYIRSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000509848078 1004145799 /nfs/dbraw/zinc/14/57/99/1004145799.db2.gz AZKKITHVCGWILZ-TXTKFYIRSA-N 2 2 422.573 3.692 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501049314 1004150239 /nfs/dbraw/zinc/15/02/39/1004150239.db2.gz BGTYFSDNLRMGQY-FRQCXROJSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501049314 1004150246 /nfs/dbraw/zinc/15/02/46/1004150246.db2.gz BGTYFSDNLRMGQY-FRQCXROJSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000509855728 1004151814 /nfs/dbraw/zinc/15/18/14/1004151814.db2.gz RCNOKBSUQNJNHP-OALUTQOASA-N 2 2 410.562 3.679 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000512263252 1004165744 /nfs/dbraw/zinc/16/57/44/1004165744.db2.gz TZOHQEDSXCIQNP-UHFFFAOYSA-N 2 2 403.586 3.803 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000512263252 1004165751 /nfs/dbraw/zinc/16/57/51/1004165751.db2.gz TZOHQEDSXCIQNP-UHFFFAOYSA-N 2 2 403.586 3.803 20 0 HHADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509950907 1004228490 /nfs/dbraw/zinc/22/84/90/1004228490.db2.gz CZJQURPBKXTWQW-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509950907 1004228496 /nfs/dbraw/zinc/22/84/96/1004228496.db2.gz CZJQURPBKXTWQW-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000501145840 1004234113 /nfs/dbraw/zinc/23/41/13/1004234113.db2.gz ZAWNYHLJXQMRCR-LJQANCHMSA-N 2 2 406.621 3.720 20 0 HHADLP CC(C)c1ccccc1OCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000501152194 1004238540 /nfs/dbraw/zinc/23/85/40/1004238540.db2.gz WNDNUGWETFQCCH-UHFFFAOYSA-N 2 2 401.595 3.645 20 0 HHADLP CCC(CC)(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000512410203 1004278206 /nfs/dbraw/zinc/27/82/06/1004278206.db2.gz GAMZMPXPPHDTMP-TZIWHRDSSA-N 2 2 409.578 3.869 20 0 HHADLP Clc1cccc(-n2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nn2)c1Cl ZINC000512420665 1004286255 /nfs/dbraw/zinc/28/62/55/1004286255.db2.gz MQBLGROKXKGVPT-UHFFFAOYSA-N 2 2 424.376 3.508 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424728 1004291522 /nfs/dbraw/zinc/29/15/22/1004291522.db2.gz SWDPGZKPTDIIJI-LSWJPFSZSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424728 1004291535 /nfs/dbraw/zinc/29/15/35/1004291535.db2.gz SWDPGZKPTDIIJI-LSWJPFSZSA-N 2 2 408.546 3.545 20 0 HHADLP CCOC(=O)C(C)(C)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000510080222 1004309250 /nfs/dbraw/zinc/30/92/50/1004309250.db2.gz YINZTWJXFLRDOZ-QFIPXVFZSA-N 2 2 402.579 3.579 20 0 HHADLP CCOC(=O)C(C)(C)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000510080222 1004309253 /nfs/dbraw/zinc/30/92/53/1004309253.db2.gz YINZTWJXFLRDOZ-QFIPXVFZSA-N 2 2 402.579 3.579 20 0 HHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510213096 1004398930 /nfs/dbraw/zinc/39/89/30/1004398930.db2.gz NNQFHUJARZYCKF-IBGZPJMESA-N 2 2 405.420 3.763 20 0 HHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510213096 1004398940 /nfs/dbraw/zinc/39/89/40/1004398940.db2.gz NNQFHUJARZYCKF-IBGZPJMESA-N 2 2 405.420 3.763 20 0 HHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510213099 1004399091 /nfs/dbraw/zinc/39/90/91/1004399091.db2.gz NNQFHUJARZYCKF-LJQANCHMSA-N 2 2 405.420 3.763 20 0 HHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510213099 1004399097 /nfs/dbraw/zinc/39/90/97/1004399097.db2.gz NNQFHUJARZYCKF-LJQANCHMSA-N 2 2 405.420 3.763 20 0 HHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251515 1004426262 /nfs/dbraw/zinc/42/62/62/1004426262.db2.gz CONKFKQBDLMARA-RBBKRZOGSA-N 2 2 422.573 3.602 20 0 HHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251515 1004426269 /nfs/dbraw/zinc/42/62/69/1004426269.db2.gz CONKFKQBDLMARA-RBBKRZOGSA-N 2 2 422.573 3.602 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512807372 1004570741 /nfs/dbraw/zinc/57/07/41/1004570741.db2.gz GMKWSAIFRKWQFZ-RBUKOAKNSA-N 2 2 411.550 3.737 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512807372 1004570751 /nfs/dbraw/zinc/57/07/51/1004570751.db2.gz GMKWSAIFRKWQFZ-RBUKOAKNSA-N 2 2 411.550 3.737 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000501793255 1004736345 /nfs/dbraw/zinc/73/63/45/1004736345.db2.gz MFPQVPAMXUNCSB-UHFFFAOYSA-N 2 2 406.958 3.559 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000501793255 1004736348 /nfs/dbraw/zinc/73/63/48/1004736348.db2.gz MFPQVPAMXUNCSB-UHFFFAOYSA-N 2 2 406.958 3.559 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000513212480 1004863427 /nfs/dbraw/zinc/86/34/27/1004863427.db2.gz MHYBBKFXTYLYIC-IBGZPJMESA-N 3 2 411.569 3.682 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCC[NH+](C)Cc3ccco3)n2)C1 ZINC000513320396 1004910569 /nfs/dbraw/zinc/91/05/69/1004910569.db2.gz LUAANHOCWYAUKY-KRWDZBQOSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCC[NH+](C)Cc3ccco3)n2)C1 ZINC000513320396 1004910573 /nfs/dbraw/zinc/91/05/73/1004910573.db2.gz LUAANHOCWYAUKY-KRWDZBQOSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CCC[N@H+](C)Cc3ccco3)n2)C1 ZINC000513320396 1004910577 /nfs/dbraw/zinc/91/05/77/1004910577.db2.gz LUAANHOCWYAUKY-KRWDZBQOSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)n2)C1 ZINC000513320396 1004910581 /nfs/dbraw/zinc/91/05/81/1004910581.db2.gz LUAANHOCWYAUKY-KRWDZBQOSA-N 2 2 419.595 3.954 20 0 HHADLP Fc1ccc(OCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510930900 1004939971 /nfs/dbraw/zinc/93/99/71/1004939971.db2.gz BKTPSROXVMNRGD-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP Fc1ccc(OCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510930900 1004939977 /nfs/dbraw/zinc/93/99/77/1004939977.db2.gz BKTPSROXVMNRGD-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000511035797 1004991284 /nfs/dbraw/zinc/99/12/84/1004991284.db2.gz UHPFXCQLHXAGJM-IBGZPJMESA-N 2 2 422.976 3.713 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000511035797 1004991289 /nfs/dbraw/zinc/99/12/89/1004991289.db2.gz UHPFXCQLHXAGJM-IBGZPJMESA-N 2 2 422.976 3.713 20 0 HHADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513578636 1005032941 /nfs/dbraw/zinc/03/29/41/1005032941.db2.gz PWGDILNVSWQJJH-UHFFFAOYSA-N 2 2 418.585 3.990 20 0 HHADLP CCc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513578636 1005032947 /nfs/dbraw/zinc/03/29/47/1005032947.db2.gz PWGDILNVSWQJJH-UHFFFAOYSA-N 2 2 418.585 3.990 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000513652808 1005067700 /nfs/dbraw/zinc/06/77/00/1005067700.db2.gz BWZTXQHRCYAQIW-UHFFFAOYSA-N 2 2 415.475 3.611 20 0 HHADLP CC(C)CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccoc1 ZINC000513702329 1005088712 /nfs/dbraw/zinc/08/87/12/1005088712.db2.gz HXXMDSACSNKMEP-SFTDATJTSA-N 2 2 413.566 3.642 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502572728 1005124702 /nfs/dbraw/zinc/12/47/02/1005124702.db2.gz QNABSINUYSJOEF-FGZHOGPDSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502572728 1005124704 /nfs/dbraw/zinc/12/47/04/1005124704.db2.gz QNABSINUYSJOEF-FGZHOGPDSA-N 2 2 417.569 3.584 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000513925931 1005191025 /nfs/dbraw/zinc/19/10/25/1005191025.db2.gz NPNPTFFHPXTSOS-NRFANRHFSA-N 2 2 401.595 3.609 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000511489649 1005198372 /nfs/dbraw/zinc/19/83/72/1005198372.db2.gz KRIIUOCQDWZJHX-HXUWFJFHSA-N 2 2 403.958 3.589 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000511489649 1005198377 /nfs/dbraw/zinc/19/83/77/1005198377.db2.gz KRIIUOCQDWZJHX-HXUWFJFHSA-N 2 2 403.958 3.589 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000511548944 1005219887 /nfs/dbraw/zinc/21/98/87/1005219887.db2.gz ZQAOZUCWJSRYFS-UHFFFAOYSA-N 2 2 400.526 3.676 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000511548944 1005219892 /nfs/dbraw/zinc/21/98/92/1005219892.db2.gz ZQAOZUCWJSRYFS-UHFFFAOYSA-N 2 2 400.526 3.676 20 0 HHADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514061788 1005249315 /nfs/dbraw/zinc/24/93/15/1005249315.db2.gz NLIMWABTTVFNCO-QHCPKHFHSA-N 2 2 423.605 3.848 20 0 HHADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514061788 1005249318 /nfs/dbraw/zinc/24/93/18/1005249318.db2.gz NLIMWABTTVFNCO-QHCPKHFHSA-N 2 2 423.605 3.848 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000502877942 1005255207 /nfs/dbraw/zinc/25/52/07/1005255207.db2.gz SNKWLFZDVHOGGF-PCCBWWKXSA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000502877942 1005255212 /nfs/dbraw/zinc/25/52/12/1005255212.db2.gz SNKWLFZDVHOGGF-PCCBWWKXSA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000502877942 1005255215 /nfs/dbraw/zinc/25/52/15/1005255215.db2.gz SNKWLFZDVHOGGF-PCCBWWKXSA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000502877942 1005255220 /nfs/dbraw/zinc/25/52/20/1005255220.db2.gz SNKWLFZDVHOGGF-PCCBWWKXSA-N 2 2 416.610 3.929 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065072 1005334609 /nfs/dbraw/zinc/33/46/09/1005334609.db2.gz SWZCVXOEHRZGGL-VKJFTORMSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065072 1005334614 /nfs/dbraw/zinc/33/46/14/1005334614.db2.gz SWZCVXOEHRZGGL-VKJFTORMSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000503072600 1005337510 /nfs/dbraw/zinc/33/75/10/1005337510.db2.gz LHKVXKBZDJYYKY-OXJNMPFZSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000503072600 1005337514 /nfs/dbraw/zinc/33/75/14/1005337514.db2.gz LHKVXKBZDJYYKY-OXJNMPFZSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503079425 1005341586 /nfs/dbraw/zinc/34/15/86/1005341586.db2.gz DIYGPPMYSOEXEA-HYBUGGRVSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503079425 1005341590 /nfs/dbraw/zinc/34/15/90/1005341590.db2.gz DIYGPPMYSOEXEA-HYBUGGRVSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503081005 1005342464 /nfs/dbraw/zinc/34/24/64/1005342464.db2.gz PJKCRVPQNLZRTG-HYBUGGRVSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503081005 1005342468 /nfs/dbraw/zinc/34/24/68/1005342468.db2.gz PJKCRVPQNLZRTG-HYBUGGRVSA-N 2 2 418.541 3.661 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159315 1005359324 /nfs/dbraw/zinc/35/93/24/1005359324.db2.gz IKXGVWPWRPMKKX-FCHUYYIVSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccncc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159315 1005359325 /nfs/dbraw/zinc/35/93/25/1005359325.db2.gz IKXGVWPWRPMKKX-FCHUYYIVSA-N 2 2 412.965 3.825 20 0 HHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379248 1005402936 /nfs/dbraw/zinc/40/29/36/1005402936.db2.gz UVOCEJSTIYJDHY-AEFFLSMTSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379248 1005402939 /nfs/dbraw/zinc/40/29/39/1005402939.db2.gz UVOCEJSTIYJDHY-AEFFLSMTSA-N 2 2 400.954 3.757 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381189 1005403560 /nfs/dbraw/zinc/40/35/60/1005403560.db2.gz BYUXVMAMXRBKPG-YLJYHZDGSA-N 2 2 412.603 3.996 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381189 1005403562 /nfs/dbraw/zinc/40/35/62/1005403562.db2.gz BYUXVMAMXRBKPG-YLJYHZDGSA-N 2 2 412.603 3.996 20 0 HHADLP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428672 1005417479 /nfs/dbraw/zinc/41/74/79/1005417479.db2.gz HNKNWBGPPSSOJT-SFLYRZDNSA-N 2 2 409.574 3.854 20 0 HHADLP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428672 1005417482 /nfs/dbraw/zinc/41/74/82/1005417482.db2.gz HNKNWBGPPSSOJT-SFLYRZDNSA-N 2 2 409.574 3.854 20 0 HHADLP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437042 1005420244 /nfs/dbraw/zinc/42/02/44/1005420244.db2.gz WFAQSQKSZOJOFT-QFBILLFUSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437042 1005420247 /nfs/dbraw/zinc/42/02/47/1005420247.db2.gz WFAQSQKSZOJOFT-QFBILLFUSA-N 2 2 423.479 3.858 20 0 HHADLP Brc1ccc2[nH+]ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000503556567 1005452061 /nfs/dbraw/zinc/45/20/61/1005452061.db2.gz DUSNMQCEPUGYML-UHFFFAOYSA-N 2 2 412.331 3.864 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639622 1005471058 /nfs/dbraw/zinc/47/10/58/1005471058.db2.gz LWIVFBNICFYRDH-ILBGXUMGSA-N 2 2 420.601 3.695 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639622 1005471059 /nfs/dbraw/zinc/47/10/59/1005471059.db2.gz LWIVFBNICFYRDH-ILBGXUMGSA-N 2 2 420.601 3.695 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000514817865 1006149521 /nfs/dbraw/zinc/14/95/21/1006149521.db2.gz KGNKDPIVMRXTID-IBGZPJMESA-N 2 2 409.549 3.834 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000514817865 1006149524 /nfs/dbraw/zinc/14/95/24/1006149524.db2.gz KGNKDPIVMRXTID-IBGZPJMESA-N 2 2 409.549 3.834 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213601 1006208748 /nfs/dbraw/zinc/20/87/48/1006208748.db2.gz PTWMSZWEXYTQRS-ROUUACIJSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213601 1006208756 /nfs/dbraw/zinc/20/87/56/1006208756.db2.gz PTWMSZWEXYTQRS-ROUUACIJSA-N 2 2 412.500 3.905 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000531585042 1006287200 /nfs/dbraw/zinc/28/72/00/1006287200.db2.gz MWDPNFSOQLMQNS-QMMLZNLJSA-N 2 2 415.969 3.966 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358877 1006322163 /nfs/dbraw/zinc/32/21/63/1006322163.db2.gz PPWNMWJSXBTGNI-WOJBJXKFSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358877 1006322173 /nfs/dbraw/zinc/32/21/73/1006322173.db2.gz PPWNMWJSXBTGNI-WOJBJXKFSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358804 1006322395 /nfs/dbraw/zinc/32/23/95/1006322395.db2.gz MEYBKXOQJALFHM-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358804 1006322399 /nfs/dbraw/zinc/32/23/99/1006322399.db2.gz MEYBKXOQJALFHM-WOJBJXKFSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360663 1006325027 /nfs/dbraw/zinc/32/50/27/1006325027.db2.gz OYRYDDZHNQQZDE-NHCUHLMSSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360663 1006325039 /nfs/dbraw/zinc/32/50/39/1006325039.db2.gz OYRYDDZHNQQZDE-NHCUHLMSSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361124 1006325362 /nfs/dbraw/zinc/32/53/62/1006325362.db2.gz SMGBIARLHSAPJR-WOJBJXKFSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361124 1006325370 /nfs/dbraw/zinc/32/53/70/1006325370.db2.gz SMGBIARLHSAPJR-WOJBJXKFSA-N 2 2 420.667 3.779 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360882 1006325598 /nfs/dbraw/zinc/32/55/98/1006325598.db2.gz RIHPKVAZWDZQOL-GOTSBHOMSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360882 1006325610 /nfs/dbraw/zinc/32/56/10/1006325610.db2.gz RIHPKVAZWDZQOL-GOTSBHOMSA-N 2 2 415.622 3.812 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361565 1006326837 /nfs/dbraw/zinc/32/68/37/1006326837.db2.gz YYBDZDNSJVPYLG-NHCUHLMSSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361565 1006326859 /nfs/dbraw/zinc/32/68/59/1006326859.db2.gz YYBDZDNSJVPYLG-NHCUHLMSSA-N 2 2 403.636 3.883 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531651968 1006332883 /nfs/dbraw/zinc/33/28/83/1006332883.db2.gz WKAWBYISESCEOV-SFHVURJKSA-N 2 2 409.496 3.614 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531651968 1006332898 /nfs/dbraw/zinc/33/28/98/1006332898.db2.gz WKAWBYISESCEOV-SFHVURJKSA-N 2 2 409.496 3.614 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375322 1006343678 /nfs/dbraw/zinc/34/36/78/1006343678.db2.gz HFTGTWGDFGAFSF-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375322 1006343691 /nfs/dbraw/zinc/34/36/91/1006343691.db2.gz HFTGTWGDFGAFSF-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382144 1006353799 /nfs/dbraw/zinc/35/37/99/1006353799.db2.gz OFGYZZKSYNAQQE-NHCUHLMSSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382144 1006353805 /nfs/dbraw/zinc/35/38/05/1006353805.db2.gz OFGYZZKSYNAQQE-NHCUHLMSSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382144 1006353808 /nfs/dbraw/zinc/35/38/08/1006353808.db2.gz OFGYZZKSYNAQQE-NHCUHLMSSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382144 1006353816 /nfs/dbraw/zinc/35/38/16/1006353816.db2.gz OFGYZZKSYNAQQE-NHCUHLMSSA-N 2 2 424.992 3.986 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386271 1006359129 /nfs/dbraw/zinc/35/91/29/1006359129.db2.gz WMKPYQWFWPUKHU-DHIUTWEWSA-N 2 2 400.611 3.728 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386271 1006359138 /nfs/dbraw/zinc/35/91/38/1006359138.db2.gz WMKPYQWFWPUKHU-DHIUTWEWSA-N 2 2 400.611 3.728 20 0 HHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)CC2)C1 ZINC000531932216 1006529053 /nfs/dbraw/zinc/52/90/53/1006529053.db2.gz LRODDJRQLIJJNG-BAGYTPMASA-N 3 2 404.668 3.669 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000534537981 1006529609 /nfs/dbraw/zinc/52/96/09/1006529609.db2.gz RHSOSXYAMYTMDP-ZLNRFVROSA-N 2 2 401.514 3.598 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000534537981 1006529618 /nfs/dbraw/zinc/52/96/18/1006529618.db2.gz RHSOSXYAMYTMDP-ZLNRFVROSA-N 2 2 401.514 3.598 20 0 HHADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000531942379 1006534306 /nfs/dbraw/zinc/53/43/06/1006534306.db2.gz ZDXOUUCUVUAAJU-LJQANCHMSA-N 2 2 424.570 3.685 20 0 HHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000532016178 1006577640 /nfs/dbraw/zinc/57/76/40/1006577640.db2.gz FCIIJVRUJHBPKA-SFHVURJKSA-N 2 2 405.420 3.712 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351215 1006618107 /nfs/dbraw/zinc/61/81/07/1006618107.db2.gz WEOCPKAZWSANIH-UXHICEINSA-N 2 2 416.614 3.581 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351215 1006618113 /nfs/dbraw/zinc/61/81/13/1006618113.db2.gz WEOCPKAZWSANIH-UXHICEINSA-N 2 2 416.614 3.581 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538359348 1006627729 /nfs/dbraw/zinc/62/77/29/1006627729.db2.gz VMVFFYKQVTVTFZ-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538359348 1006627733 /nfs/dbraw/zinc/62/77/33/1006627733.db2.gz VMVFFYKQVTVTFZ-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000515767365 1006657968 /nfs/dbraw/zinc/65/79/68/1006657968.db2.gz BXZZCVWEZXOFLI-PZJWPPBQSA-N 2 2 416.013 3.902 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534714715 1006701459 /nfs/dbraw/zinc/70/14/59/1006701459.db2.gz ODRMOXWVGXMAPJ-DHIUTWEWSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534714715 1006701470 /nfs/dbraw/zinc/70/14/70/1006701470.db2.gz ODRMOXWVGXMAPJ-DHIUTWEWSA-N 2 2 412.553 3.783 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718984 1006704811 /nfs/dbraw/zinc/70/48/11/1006704811.db2.gz AVKHAUHSNVLJSX-WDJPJFJCSA-N 2 2 415.622 3.669 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718984 1006704821 /nfs/dbraw/zinc/70/48/21/1006704821.db2.gz AVKHAUHSNVLJSX-WDJPJFJCSA-N 2 2 415.622 3.669 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)[C@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535616 1006797832 /nfs/dbraw/zinc/79/78/32/1006797832.db2.gz SFCIPRUXPJXUGI-BKMJKUGQSA-N 2 2 422.617 3.698 20 0 HHADLP CCN1CC[NH+](Cc2ccc(N[C@@H](C)[C@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535616 1006797839 /nfs/dbraw/zinc/79/78/39/1006797839.db2.gz SFCIPRUXPJXUGI-BKMJKUGQSA-N 2 2 422.617 3.698 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556704 1006818549 /nfs/dbraw/zinc/81/85/49/1006818549.db2.gz FKKFFWSMZVTNLE-HRAATJIYSA-N 2 2 408.550 3.679 20 0 HHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000532361747 1006819644 /nfs/dbraw/zinc/81/96/44/1006819644.db2.gz WWYNSDCNBXKZBY-KDURUIRLSA-N 2 2 414.594 3.903 20 0 HHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000532361747 1006819655 /nfs/dbraw/zinc/81/96/55/1006819655.db2.gz WWYNSDCNBXKZBY-KDURUIRLSA-N 2 2 414.594 3.903 20 0 HHADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1NC(C)=O ZINC000538587312 1006853800 /nfs/dbraw/zinc/85/38/00/1006853800.db2.gz QEACLPFPAPTKKW-INIZCTEOSA-N 2 2 411.550 3.752 20 0 HHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442348 1006884829 /nfs/dbraw/zinc/88/48/29/1006884829.db2.gz SCKAAZXEEMSFIU-FCEUIQTBSA-N 3 2 404.668 3.669 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000538668799 1006954872 /nfs/dbraw/zinc/95/48/72/1006954872.db2.gz WRWQMUCNOKESOA-UHFFFAOYSA-N 2 2 413.393 3.593 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942603 1006983488 /nfs/dbraw/zinc/98/34/88/1006983488.db2.gz RXDOCOXJLSZJSY-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942603 1006983498 /nfs/dbraw/zinc/98/34/98/1006983498.db2.gz RXDOCOXJLSZJSY-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720691 1006994615 /nfs/dbraw/zinc/99/46/15/1006994615.db2.gz NYVZXNHZAJDQER-LJQANCHMSA-N 2 2 411.546 3.760 20 0 HHADLP CC[N@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720691 1006994622 /nfs/dbraw/zinc/99/46/22/1006994622.db2.gz NYVZXNHZAJDQER-LJQANCHMSA-N 2 2 411.546 3.760 20 0 HHADLP CC(C)Cc1ncc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000538740165 1007023497 /nfs/dbraw/zinc/02/34/97/1007023497.db2.gz OYKPFQAGLUOBJN-UHFFFAOYSA-N 2 2 402.608 3.604 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535091328 1007105132 /nfs/dbraw/zinc/10/51/32/1007105132.db2.gz YPBZODPRBJJYGO-MOPGFXCFSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535091328 1007105138 /nfs/dbraw/zinc/10/51/38/1007105138.db2.gz YPBZODPRBJJYGO-MOPGFXCFSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093515 1007108449 /nfs/dbraw/zinc/10/84/49/1007108449.db2.gz DNYVJHLRRLPYNU-OSZJIOELSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093515 1007108452 /nfs/dbraw/zinc/10/84/52/1007108452.db2.gz DNYVJHLRRLPYNU-OSZJIOELSA-N 2 2 419.560 3.864 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094515 1007109347 /nfs/dbraw/zinc/10/93/47/1007109347.db2.gz IQDACYKHDINRDR-RTBURBONSA-N 2 2 406.640 3.813 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094515 1007109353 /nfs/dbraw/zinc/10/93/53/1007109353.db2.gz IQDACYKHDINRDR-RTBURBONSA-N 2 2 406.640 3.813 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095618 1007112101 /nfs/dbraw/zinc/11/21/01/1007112101.db2.gz LTJQOIJDHVQUTO-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095618 1007112108 /nfs/dbraw/zinc/11/21/08/1007112108.db2.gz LTJQOIJDHVQUTO-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096082 1007112773 /nfs/dbraw/zinc/11/27/73/1007112773.db2.gz OKFKIOCAZKOJCK-RLBLXZPPSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096082 1007112783 /nfs/dbraw/zinc/11/27/83/1007112783.db2.gz OKFKIOCAZKOJCK-RLBLXZPPSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096084 1007113086 /nfs/dbraw/zinc/11/30/86/1007113086.db2.gz OKFKIOCAZKOJCK-SKWRMQMOSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096084 1007113091 /nfs/dbraw/zinc/11/30/91/1007113091.db2.gz OKFKIOCAZKOJCK-SKWRMQMOSA-N 2 2 419.560 3.864 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000516503560 1007113334 /nfs/dbraw/zinc/11/33/34/1007113334.db2.gz PAJBKQGPTAQYNI-WIYYLYMNSA-N 2 2 400.592 3.575 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097645 1007116858 /nfs/dbraw/zinc/11/68/58/1007116858.db2.gz XKUHOTSSGZVTDN-YADHBBJMSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097645 1007116862 /nfs/dbraw/zinc/11/68/62/1007116862.db2.gz XKUHOTSSGZVTDN-YADHBBJMSA-N 2 2 407.549 3.693 20 0 HHADLP Cc1c(Cl)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc2ccccc12 ZINC000532703205 1007118388 /nfs/dbraw/zinc/11/83/88/1007118388.db2.gz KQGOXCNJKLAAQL-UHFFFAOYSA-N 2 2 414.981 3.573 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4ccccn4)ccc3Cl)CC2)CC1 ZINC000535099698 1007119627 /nfs/dbraw/zinc/11/96/27/1007119627.db2.gz KRSOOHRNVGEDBJ-UHFFFAOYSA-N 2 2 412.965 3.690 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000532760659 1007166379 /nfs/dbraw/zinc/16/63/79/1007166379.db2.gz ZCEDWLRSTLDDHV-IBGZPJMESA-N 2 2 421.570 3.567 20 0 HHADLP O=C(CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000532760659 1007166392 /nfs/dbraw/zinc/16/63/92/1007166392.db2.gz ZCEDWLRSTLDDHV-IBGZPJMESA-N 2 2 421.570 3.567 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847060 1007233443 /nfs/dbraw/zinc/23/34/43/1007233443.db2.gz BUALFAJWOOPLFF-UXHICEINSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847060 1007233450 /nfs/dbraw/zinc/23/34/50/1007233450.db2.gz BUALFAJWOOPLFF-UXHICEINSA-N 2 2 410.965 3.644 20 0 HHADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967217 1007334126 /nfs/dbraw/zinc/33/41/26/1007334126.db2.gz NOCUCIYINSNBQT-CLJLJLNGSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967217 1007334137 /nfs/dbraw/zinc/33/41/37/1007334137.db2.gz NOCUCIYINSNBQT-CLJLJLNGSA-N 4 2 410.650 3.522 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000539045719 1007343520 /nfs/dbraw/zinc/34/35/20/1007343520.db2.gz FHPMACHXZDAOAG-JKSUJKDBSA-N 2 2 405.539 3.500 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000539049398 1007346365 /nfs/dbraw/zinc/34/63/65/1007346365.db2.gz HVWZQLAAVPMACZ-AVRDEDQJSA-N 2 2 412.559 3.964 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2ccccc2c1 ZINC000539077682 1007369380 /nfs/dbraw/zinc/36/93/80/1007369380.db2.gz RERUHIWGGWVPMI-WMZHIEFXSA-N 2 2 417.557 3.786 20 0 HHADLP C[N@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000535321736 1007374208 /nfs/dbraw/zinc/37/42/08/1007374208.db2.gz MMYZFWFJPGRZEX-QFIPXVFZSA-N 2 2 420.582 3.652 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000535321736 1007374221 /nfs/dbraw/zinc/37/42/21/1007374221.db2.gz MMYZFWFJPGRZEX-QFIPXVFZSA-N 2 2 420.582 3.652 20 0 HHADLP C[C@H](OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000517046641 1007380283 /nfs/dbraw/zinc/38/02/83/1007380283.db2.gz FKTVHZJMIRAVBL-HNAYVOBHSA-N 2 2 403.885 3.893 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000539148589 1007444641 /nfs/dbraw/zinc/44/46/41/1007444641.db2.gz WREOMJSOFFHLPY-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000539148589 1007444650 /nfs/dbraw/zinc/44/46/50/1007444650.db2.gz WREOMJSOFFHLPY-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000539148592 1007444772 /nfs/dbraw/zinc/44/47/72/1007444772.db2.gz WREOMJSOFFHLPY-ROUUACIJSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C[C@H](C)O1 ZINC000539150317 1007446535 /nfs/dbraw/zinc/44/65/35/1007446535.db2.gz VHVQMXTZTCXJET-IRXDYDNUSA-N 2 2 421.632 3.962 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000517227119 1007512290 /nfs/dbraw/zinc/51/22/90/1007512290.db2.gz AHTFXTYUCXEQNA-FGZHOGPDSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000517227119 1007512291 /nfs/dbraw/zinc/51/22/91/1007512291.db2.gz AHTFXTYUCXEQNA-FGZHOGPDSA-N 2 2 414.594 3.813 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533171971 1007512765 /nfs/dbraw/zinc/51/27/65/1007512765.db2.gz AFKHMBWIORNZNB-MOPGFXCFSA-N 2 2 407.921 3.509 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533171971 1007512778 /nfs/dbraw/zinc/51/27/78/1007512778.db2.gz AFKHMBWIORNZNB-MOPGFXCFSA-N 2 2 407.921 3.509 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172680 1007513980 /nfs/dbraw/zinc/51/39/80/1007513980.db2.gz YWGHNVYUYKOFOV-UIAACRFSSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172680 1007513990 /nfs/dbraw/zinc/51/39/90/1007513990.db2.gz YWGHNVYUYKOFOV-UIAACRFSSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172680 1007514002 /nfs/dbraw/zinc/51/40/02/1007514002.db2.gz YWGHNVYUYKOFOV-UIAACRFSSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172680 1007514010 /nfs/dbraw/zinc/51/40/10/1007514010.db2.gz YWGHNVYUYKOFOV-UIAACRFSSA-N 2 2 408.949 3.540 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000539226200 1007518522 /nfs/dbraw/zinc/51/85/22/1007518522.db2.gz LXQCELPMAPMRBQ-OAQYLSRUSA-N 2 2 401.938 3.852 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000539226485 1007518607 /nfs/dbraw/zinc/51/86/07/1007518607.db2.gz KZOMUFVSOMCHEK-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000539226485 1007518608 /nfs/dbraw/zinc/51/86/08/1007518608.db2.gz KZOMUFVSOMCHEK-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000539313938 1007611740 /nfs/dbraw/zinc/61/17/40/1007611740.db2.gz RPEIXWOWZJUFGC-IAGOWNOFSA-N 2 2 423.536 3.766 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000539351002 1007652878 /nfs/dbraw/zinc/65/28/78/1007652878.db2.gz WYZSWMDJKDWYLT-KNQAVFIVSA-N 2 2 413.566 3.873 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000539351002 1007652884 /nfs/dbraw/zinc/65/28/84/1007652884.db2.gz WYZSWMDJKDWYLT-KNQAVFIVSA-N 2 2 413.566 3.873 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647011 1007654742 /nfs/dbraw/zinc/65/47/42/1007654742.db2.gz NXBORWWBZZZCAY-SFTDATJTSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647011 1007654747 /nfs/dbraw/zinc/65/47/47/1007654747.db2.gz NXBORWWBZZZCAY-SFTDATJTSA-N 2 2 418.582 3.505 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535656104 1007669736 /nfs/dbraw/zinc/66/97/36/1007669736.db2.gz RMNGIMWNKNUSRE-PMACEKPBSA-N 2 2 416.614 3.575 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535656104 1007669743 /nfs/dbraw/zinc/66/97/43/1007669743.db2.gz RMNGIMWNKNUSRE-PMACEKPBSA-N 2 2 416.614 3.575 20 0 HHADLP C[C@H](c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1)[NH+]1CCOCC1 ZINC000535681686 1007711715 /nfs/dbraw/zinc/71/17/15/1007711715.db2.gz VKNBVBNISCUWGN-QGZVFWFLSA-N 2 2 414.525 3.602 20 0 HHADLP C[N@H+](CCN1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Cc1ccccc1 ZINC000533418945 1007727608 /nfs/dbraw/zinc/72/76/08/1007727608.db2.gz SQNKOGJVGGQOLU-UHFFFAOYSA-N 2 2 409.618 3.522 20 0 HHADLP C[N@@H+](CCN1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Cc1ccccc1 ZINC000533418945 1007727622 /nfs/dbraw/zinc/72/76/22/1007727622.db2.gz SQNKOGJVGGQOLU-UHFFFAOYSA-N 2 2 409.618 3.522 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539456211 1007767581 /nfs/dbraw/zinc/76/75/81/1007767581.db2.gz JXTNWERUFMSVDU-FCHUYYIVSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539456211 1007767589 /nfs/dbraw/zinc/76/75/89/1007767589.db2.gz JXTNWERUFMSVDU-FCHUYYIVSA-N 2 2 414.594 3.813 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000539489721 1007801237 /nfs/dbraw/zinc/80/12/37/1007801237.db2.gz XNPCJBNDULUTFG-WOJBJXKFSA-N 2 2 402.542 3.818 20 0 HHADLP CC[N@H+](CC(=O)NC(C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532914 1007854422 /nfs/dbraw/zinc/85/44/22/1007854422.db2.gz XVRHJZXETOEQEC-UHFFFAOYSA-N 2 2 413.610 3.504 20 0 HHADLP CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532914 1007854439 /nfs/dbraw/zinc/85/44/39/1007854439.db2.gz XVRHJZXETOEQEC-UHFFFAOYSA-N 2 2 413.610 3.504 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851457 1007864712 /nfs/dbraw/zinc/86/47/12/1007864712.db2.gz ARTYZQIXWVVPCJ-QZTJIDSGSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851457 1007864721 /nfs/dbraw/zinc/86/47/21/1007864721.db2.gz ARTYZQIXWVVPCJ-QZTJIDSGSA-N 2 2 416.591 3.812 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865683 1007881341 /nfs/dbraw/zinc/88/13/41/1007881341.db2.gz KRPXQDHFOBJFRI-SWUCNREESA-N 2 2 422.658 3.560 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865683 1007881367 /nfs/dbraw/zinc/88/13/67/1007881367.db2.gz KRPXQDHFOBJFRI-SWUCNREESA-N 2 2 422.658 3.560 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567421 1007883149 /nfs/dbraw/zinc/88/31/49/1007883149.db2.gz BLDFELFEWDLFML-FPOVZHCZSA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567421 1007883157 /nfs/dbraw/zinc/88/31/57/1007883157.db2.gz BLDFELFEWDLFML-FPOVZHCZSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567421 1007883165 /nfs/dbraw/zinc/88/31/65/1007883165.db2.gz BLDFELFEWDLFML-FPOVZHCZSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567421 1007883182 /nfs/dbraw/zinc/88/31/82/1007883182.db2.gz BLDFELFEWDLFML-FPOVZHCZSA-N 2 2 423.523 3.860 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535871451 1007888258 /nfs/dbraw/zinc/88/82/58/1007888258.db2.gz JGDNJPWMRFZDDJ-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535871451 1007888273 /nfs/dbraw/zinc/88/82/73/1007888273.db2.gz JGDNJPWMRFZDDJ-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878694 1007897643 /nfs/dbraw/zinc/89/76/43/1007897643.db2.gz YYVVOMAAPABTNL-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878694 1007897651 /nfs/dbraw/zinc/89/76/51/1007897651.db2.gz YYVVOMAAPABTNL-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000535929158 1007952736 /nfs/dbraw/zinc/95/27/36/1007952736.db2.gz JRBMMDKLYSDWSP-FYYLOGMGSA-N 2 2 409.578 3.615 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647292 1007955822 /nfs/dbraw/zinc/95/58/22/1007955822.db2.gz FFNCUDOPTPDHTD-AGILITTLSA-N 2 2 415.622 3.887 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647292 1007955826 /nfs/dbraw/zinc/95/58/26/1007955826.db2.gz FFNCUDOPTPDHTD-AGILITTLSA-N 2 2 415.622 3.887 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647900 1007957170 /nfs/dbraw/zinc/95/71/70/1007957170.db2.gz NNTCASGVDNGGMX-PKTZIBPZSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647900 1007957179 /nfs/dbraw/zinc/95/71/79/1007957179.db2.gz NNTCASGVDNGGMX-PKTZIBPZSA-N 2 2 401.595 3.560 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648473 1007958546 /nfs/dbraw/zinc/95/85/46/1007958546.db2.gz OIMQGGJFLQPKCH-DNQXCXABSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648473 1007958560 /nfs/dbraw/zinc/95/85/60/1007958560.db2.gz OIMQGGJFLQPKCH-DNQXCXABSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662188 1007978083 /nfs/dbraw/zinc/97/80/83/1007978083.db2.gz CRSXEHSYVOFOPY-VXKWHMMOSA-N 2 2 418.651 3.757 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662188 1007978091 /nfs/dbraw/zinc/97/80/91/1007978091.db2.gz CRSXEHSYVOFOPY-VXKWHMMOSA-N 2 2 418.651 3.757 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662446 1007978332 /nfs/dbraw/zinc/97/83/32/1007978332.db2.gz HPAMHJMCSBZYCJ-VXKWHMMOSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662446 1007978339 /nfs/dbraw/zinc/97/83/39/1007978339.db2.gz HPAMHJMCSBZYCJ-VXKWHMMOSA-N 2 2 404.574 3.613 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665314 1007980453 /nfs/dbraw/zinc/98/04/53/1007980453.db2.gz WVJJNUSNTCUQQQ-BVYCBKJFSA-N 2 2 404.599 3.579 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665314 1007980460 /nfs/dbraw/zinc/98/04/60/1007980460.db2.gz WVJJNUSNTCUQQQ-BVYCBKJFSA-N 2 2 404.599 3.579 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669878 1007986356 /nfs/dbraw/zinc/98/63/56/1007986356.db2.gz FDHYDYCWKPIJSN-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669878 1007986362 /nfs/dbraw/zinc/98/63/62/1007986362.db2.gz FDHYDYCWKPIJSN-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669878 1007986369 /nfs/dbraw/zinc/98/63/69/1007986369.db2.gz FDHYDYCWKPIJSN-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669878 1007986374 /nfs/dbraw/zinc/98/63/74/1007986374.db2.gz FDHYDYCWKPIJSN-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672438 1007991772 /nfs/dbraw/zinc/99/17/72/1007991772.db2.gz QJDQOSMGQPPQED-DNQXCXABSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672438 1007991778 /nfs/dbraw/zinc/99/17/78/1007991778.db2.gz QJDQOSMGQPPQED-DNQXCXABSA-N 2 2 414.638 3.825 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683802 1008008100 /nfs/dbraw/zinc/00/81/00/1008008100.db2.gz VECUXIMKBVEIBF-ORYQWCPZSA-N 2 2 407.961 3.995 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683802 1008008109 /nfs/dbraw/zinc/00/81/09/1008008109.db2.gz VECUXIMKBVEIBF-ORYQWCPZSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683802 1008008118 /nfs/dbraw/zinc/00/81/18/1008008118.db2.gz VECUXIMKBVEIBF-ORYQWCPZSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683802 1008008128 /nfs/dbraw/zinc/00/81/28/1008008128.db2.gz VECUXIMKBVEIBF-ORYQWCPZSA-N 2 2 407.961 3.995 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535981890 1008022167 /nfs/dbraw/zinc/02/21/67/1008022167.db2.gz BSQHNFKPVMGKMF-LEWJYISDSA-N 2 2 412.688 3.744 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535981890 1008022175 /nfs/dbraw/zinc/02/21/75/1008022175.db2.gz BSQHNFKPVMGKMF-LEWJYISDSA-N 2 2 412.688 3.744 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539708084 1008026458 /nfs/dbraw/zinc/02/64/58/1008026458.db2.gz RPIXNNAGRBLHHP-SFTDATJTSA-N 2 2 403.636 3.747 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539708084 1008026464 /nfs/dbraw/zinc/02/64/64/1008026464.db2.gz RPIXNNAGRBLHHP-SFTDATJTSA-N 2 2 403.636 3.747 20 0 HHADLP C[N@H+](Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000539810568 1008109118 /nfs/dbraw/zinc/10/91/18/1008109118.db2.gz KHTLIWOOQVBEPP-UHFFFAOYSA-N 2 2 403.530 3.962 20 0 HHADLP C[N@@H+](Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000539810568 1008109128 /nfs/dbraw/zinc/10/91/28/1008109128.db2.gz KHTLIWOOQVBEPP-UHFFFAOYSA-N 2 2 403.530 3.962 20 0 HHADLP C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000533861213 1008164231 /nfs/dbraw/zinc/16/42/31/1008164231.db2.gz OINYQUZGBGTRMA-XNHLSEOASA-N 2 2 403.521 3.735 20 0 HHADLP C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000533861213 1008164235 /nfs/dbraw/zinc/16/42/35/1008164235.db2.gz OINYQUZGBGTRMA-XNHLSEOASA-N 2 2 403.521 3.735 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180765 1008325209 /nfs/dbraw/zinc/32/52/09/1008325209.db2.gz CLHNFRCQAOKUMR-UZLBHIALSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180765 1008325213 /nfs/dbraw/zinc/32/52/13/1008325213.db2.gz CLHNFRCQAOKUMR-UZLBHIALSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248796 1008352495 /nfs/dbraw/zinc/35/24/95/1008352495.db2.gz UJDUFJLVNRYPCN-VAMGGRTRSA-N 2 2 413.562 3.993 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)CC2)CC1 ZINC000518670158 1008385911 /nfs/dbraw/zinc/38/59/11/1008385911.db2.gz YARAMTODMYONCM-XMMPIXPASA-N 2 2 423.605 3.963 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000540550884 1008477587 /nfs/dbraw/zinc/47/75/87/1008477587.db2.gz PUJQNUOUSADIBA-QHCPKHFHSA-N 2 2 414.619 3.709 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000540550884 1008477591 /nfs/dbraw/zinc/47/75/91/1008477591.db2.gz PUJQNUOUSADIBA-QHCPKHFHSA-N 2 2 414.619 3.709 20 0 HHADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000519225870 1008631807 /nfs/dbraw/zinc/63/18/07/1008631807.db2.gz NHNNHTICELWYBN-HXUWFJFHSA-N 2 2 416.363 3.751 20 0 HHADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000545560624 1008656942 /nfs/dbraw/zinc/65/69/42/1008656942.db2.gz BXBVCBLUEXBJIF-LJQANCHMSA-N 2 2 420.395 3.673 20 0 HHADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000545560624 1008656947 /nfs/dbraw/zinc/65/69/47/1008656947.db2.gz BXBVCBLUEXBJIF-LJQANCHMSA-N 2 2 420.395 3.673 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106839 1008680069 /nfs/dbraw/zinc/68/00/69/1008680069.db2.gz DGIDTPHRNNJYEK-RTWAWAEBSA-N 2 2 404.599 3.987 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106839 1008680077 /nfs/dbraw/zinc/68/00/77/1008680077.db2.gz DGIDTPHRNNJYEK-RTWAWAEBSA-N 2 2 404.599 3.987 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549165385 1008736807 /nfs/dbraw/zinc/73/68/07/1008736807.db2.gz MTNJEHSKKIFJFI-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549165385 1008736819 /nfs/dbraw/zinc/73/68/19/1008736819.db2.gz MTNJEHSKKIFJFI-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000545857938 1008945702 /nfs/dbraw/zinc/94/57/02/1008945702.db2.gz XJZYCYRKAQIABD-XMMPIXPASA-N 2 2 422.598 3.808 20 0 HHADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545857938 1008945724 /nfs/dbraw/zinc/94/57/24/1008945724.db2.gz XJZYCYRKAQIABD-XMMPIXPASA-N 2 2 422.598 3.808 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000549377478 1008960726 /nfs/dbraw/zinc/96/07/26/1008960726.db2.gz HDBNLJQHIWCFEP-ZTCOLXNVSA-N 2 2 402.542 3.612 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000549377478 1008960747 /nfs/dbraw/zinc/96/07/47/1008960747.db2.gz HDBNLJQHIWCFEP-ZTCOLXNVSA-N 2 2 402.542 3.612 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000543394566 1008984709 /nfs/dbraw/zinc/98/47/09/1008984709.db2.gz RDKYARZLCBOGCG-HXUWFJFHSA-N 2 2 400.429 3.751 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000543394566 1008984720 /nfs/dbraw/zinc/98/47/20/1008984720.db2.gz RDKYARZLCBOGCG-HXUWFJFHSA-N 2 2 400.429 3.751 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000545913007 1008993339 /nfs/dbraw/zinc/99/33/39/1008993339.db2.gz LUCKXPUWBVQODW-HXUWFJFHSA-N 3 2 401.595 3.568 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000545913007 1008993355 /nfs/dbraw/zinc/99/33/55/1008993355.db2.gz LUCKXPUWBVQODW-HXUWFJFHSA-N 3 2 401.595 3.568 20 0 HHADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000543423341 1009014367 /nfs/dbraw/zinc/01/43/67/1009014367.db2.gz XYPOWXPBDMJJGH-PXDATVDWSA-N 2 2 408.590 3.579 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000545954636 1009017079 /nfs/dbraw/zinc/01/70/79/1009017079.db2.gz YDTICULXVZRMTF-WMZHIEFXSA-N 2 2 416.525 3.906 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000543539150 1009130424 /nfs/dbraw/zinc/13/04/24/1009130424.db2.gz ZKDKKCDHBXISJT-UHFFFAOYSA-N 2 2 403.530 3.779 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000543539150 1009130434 /nfs/dbraw/zinc/13/04/34/1009130434.db2.gz ZKDKKCDHBXISJT-UHFFFAOYSA-N 2 2 403.530 3.779 20 0 HHADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000543541128 1009133593 /nfs/dbraw/zinc/13/35/93/1009133593.db2.gz CWGICMVQHFFXNC-GOSISDBHSA-N 2 2 408.571 3.600 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000520128104 1009282078 /nfs/dbraw/zinc/28/20/78/1009282078.db2.gz VLGBGPSAPPHBMJ-INIZCTEOSA-N 2 2 424.376 3.886 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772740 1009340566 /nfs/dbraw/zinc/34/05/66/1009340566.db2.gz CCUCHEGKHARWRK-HXOBKFHXSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772740 1009340584 /nfs/dbraw/zinc/34/05/84/1009340584.db2.gz CCUCHEGKHARWRK-HXOBKFHXSA-N 2 2 423.536 3.522 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714256 1009343674 /nfs/dbraw/zinc/34/36/74/1009343674.db2.gz AHPJASYTQLVZIM-AEFFLSMTSA-N 2 2 405.612 3.571 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714256 1009343693 /nfs/dbraw/zinc/34/36/93/1009343693.db2.gz AHPJASYTQLVZIM-AEFFLSMTSA-N 2 2 405.612 3.571 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000543944956 1009539206 /nfs/dbraw/zinc/53/92/06/1009539206.db2.gz WPBVQOCNWOXTEM-QQKQFIJSSA-N 2 2 401.639 3.842 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543971280 1009573724 /nfs/dbraw/zinc/57/37/24/1009573724.db2.gz FEAGVVRAXOTZPY-QHCPKHFHSA-N 2 2 409.578 3.750 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543971280 1009573747 /nfs/dbraw/zinc/57/37/47/1009573747.db2.gz FEAGVVRAXOTZPY-QHCPKHFHSA-N 2 2 409.578 3.750 20 0 HHADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000543994634 1009594352 /nfs/dbraw/zinc/59/43/52/1009594352.db2.gz AMNUHUHCBXIMMO-GCJKJVERSA-N 2 2 409.530 3.617 20 0 HHADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000543994635 1009594502 /nfs/dbraw/zinc/59/45/02/1009594502.db2.gz AMNUHUHCBXIMMO-PGRDOPGGSA-N 2 2 409.530 3.617 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033686 1009629154 /nfs/dbraw/zinc/62/91/54/1009629154.db2.gz MJFJQCCIPUKXDG-UQOODKLHSA-N 2 2 410.965 3.739 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033686 1009629161 /nfs/dbraw/zinc/62/91/61/1009629161.db2.gz MJFJQCCIPUKXDG-UQOODKLHSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033686 1009629168 /nfs/dbraw/zinc/62/91/68/1009629168.db2.gz MJFJQCCIPUKXDG-UQOODKLHSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033686 1009629174 /nfs/dbraw/zinc/62/91/74/1009629174.db2.gz MJFJQCCIPUKXDG-UQOODKLHSA-N 2 2 410.965 3.739 20 0 HHADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000546760040 1009726918 /nfs/dbraw/zinc/72/69/18/1009726918.db2.gz AEBXROIVKOVNSP-UHFFFAOYSA-N 2 2 403.368 3.664 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000520675610 1009747518 /nfs/dbraw/zinc/74/75/18/1009747518.db2.gz WUJADECAEBIAAF-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000520675610 1009747531 /nfs/dbraw/zinc/74/75/31/1009747531.db2.gz WUJADECAEBIAAF-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000544208645 1009816034 /nfs/dbraw/zinc/81/60/34/1009816034.db2.gz AXLSCGDEZRBJFD-QHCPKHFHSA-N 2 2 420.601 3.880 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)[C@@H](c2ccccc2)C1 ZINC000544361721 1009988874 /nfs/dbraw/zinc/98/88/74/1009988874.db2.gz YCKHTRMEFKTRHF-RPBOFIJWSA-N 2 2 419.548 3.674 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)[C@@H](c2ccccc2)C1 ZINC000544361721 1009988883 /nfs/dbraw/zinc/98/88/83/1009988883.db2.gz YCKHTRMEFKTRHF-RPBOFIJWSA-N 2 2 419.548 3.674 20 0 HHADLP CC(C)n1cc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000544468229 1010092216 /nfs/dbraw/zinc/09/22/16/1010092216.db2.gz JKKHPBQPCPOSNW-LAUBAEHRSA-N 2 2 417.985 3.721 20 0 HHADLP CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cs1 ZINC000544469397 1010093635 /nfs/dbraw/zinc/09/36/35/1010093635.db2.gz NFHYVBXFAOHWJP-HNNXBMFYSA-N 2 2 404.605 3.544 20 0 HHADLP Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000544511737 1010134264 /nfs/dbraw/zinc/13/42/64/1010134264.db2.gz HPVQZUACNUTBCI-MAUKXSAKSA-N 2 2 406.983 3.709 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117401 1010138790 /nfs/dbraw/zinc/13/87/90/1010138790.db2.gz ODWBUGNQUYPFAS-MSOLQXFVSA-N 2 2 410.389 3.772 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CC[NH+](C4CCC(C)CC4)CC3)c2)cc[nH+]1 ZINC000544562232 1010191497 /nfs/dbraw/zinc/19/14/97/1010191497.db2.gz QAFHSPFKXIGGEB-UHFFFAOYSA-N 2 2 407.562 3.734 20 0 HHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521196748 1010223922 /nfs/dbraw/zinc/22/39/22/1010223922.db2.gz XWMCEFYKBVNDBI-KRWDZBQOSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521196748 1010223937 /nfs/dbraw/zinc/22/39/37/1010223937.db2.gz XWMCEFYKBVNDBI-KRWDZBQOSA-N 2 2 420.479 3.832 20 0 HHADLP CS(=O)(=O)C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000550887675 1010243090 /nfs/dbraw/zinc/24/30/90/1010243090.db2.gz YTOMRDAQGSWHDQ-HSZRJFAPSA-N 2 2 409.555 3.511 20 0 HHADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547763795 1010418041 /nfs/dbraw/zinc/41/80/41/1010418041.db2.gz MARGXDRKUFISRY-JOCHJYFZSA-N 2 2 421.585 3.646 20 0 HHADLP COc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000547967499 1010487393 /nfs/dbraw/zinc/48/73/93/1010487393.db2.gz DPMJYQGJOVOQHO-NSHDSACASA-N 2 2 415.129 3.521 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000545205088 1010682873 /nfs/dbraw/zinc/68/28/73/1010682873.db2.gz VKLBSSDUMNSGPE-UHFFFAOYSA-N 2 2 423.557 3.755 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000521902020 1010696546 /nfs/dbraw/zinc/69/65/46/1010696546.db2.gz HCIORXDEUXCDRG-UHFFFAOYSA-N 2 2 418.651 3.759 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000521902020 1010696551 /nfs/dbraw/zinc/69/65/51/1010696551.db2.gz HCIORXDEUXCDRG-UHFFFAOYSA-N 2 2 418.651 3.759 20 0 HHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000545369952 1010756731 /nfs/dbraw/zinc/75/67/31/1010756731.db2.gz KWEDELBXABMQCP-UHFFFAOYSA-N 3 2 415.585 3.760 20 0 HHADLP CN(C)c1ccncc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000545369952 1010756738 /nfs/dbraw/zinc/75/67/38/1010756738.db2.gz KWEDELBXABMQCP-UHFFFAOYSA-N 2 2 415.585 3.760 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000522422672 1010999313 /nfs/dbraw/zinc/99/93/13/1010999313.db2.gz ZIMIUYYVVGPMGN-UHFFFAOYSA-N 2 2 409.559 3.645 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000522463708 1011028051 /nfs/dbraw/zinc/02/80/51/1011028051.db2.gz YTQCANKBSBHEPK-JOCHJYFZSA-N 2 2 419.529 3.517 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000522694219 1011162017 /nfs/dbraw/zinc/16/20/17/1011162017.db2.gz SIELOKQDXOEYME-UHFFFAOYSA-N 2 2 424.589 3.548 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753042 1011195424 /nfs/dbraw/zinc/19/54/24/1011195424.db2.gz ZVUWFDOOPPMJGD-HHXXYDBFSA-N 2 2 423.483 3.673 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753042 1011195426 /nfs/dbraw/zinc/19/54/26/1011195426.db2.gz ZVUWFDOOPPMJGD-HHXXYDBFSA-N 2 2 423.483 3.673 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1[C@H](C)C1CC1 ZINC000540806195 1011467573 /nfs/dbraw/zinc/46/75/73/1011467573.db2.gz NRFHQBICSNGWQR-YFXJRYMSSA-N 2 2 415.626 3.572 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1[C@H](C)C1CC1 ZINC000540806195 1011467582 /nfs/dbraw/zinc/46/75/82/1011467582.db2.gz NRFHQBICSNGWQR-YFXJRYMSSA-N 2 2 415.626 3.572 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)CC2)nc1 ZINC000536653474 1011801681 /nfs/dbraw/zinc/80/16/81/1011801681.db2.gz MFWGCZQOSKYQFI-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)CC2)nc1 ZINC000536653474 1011801696 /nfs/dbraw/zinc/80/16/96/1011801696.db2.gz MFWGCZQOSKYQFI-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156114 1011817689 /nfs/dbraw/zinc/81/76/89/1011817689.db2.gz SPQVEZRXCUHUFV-QHCPKHFHSA-N 2 2 408.030 3.941 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190326 1011862669 /nfs/dbraw/zinc/86/26/69/1011862669.db2.gz KKOFXJHKFQRNNN-REWPJTCUSA-N 2 2 409.578 3.920 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190326 1011862693 /nfs/dbraw/zinc/86/26/93/1011862693.db2.gz KKOFXJHKFQRNNN-REWPJTCUSA-N 2 2 409.578 3.920 20 0 HHADLP C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000541248400 1011928957 /nfs/dbraw/zinc/92/89/57/1011928957.db2.gz CZMNVRZJHBIBIG-GMAHTHKFSA-N 2 2 412.622 3.914 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250659 1011931841 /nfs/dbraw/zinc/93/18/41/1011931841.db2.gz CMMPCAFFOGIJDA-NYVOZVTQSA-N 2 2 416.610 3.668 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250659 1011931846 /nfs/dbraw/zinc/93/18/46/1011931846.db2.gz CMMPCAFFOGIJDA-NYVOZVTQSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251226 1011931869 /nfs/dbraw/zinc/93/18/69/1011931869.db2.gz KLZJTDXPOQHKJI-PMACEKPBSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251226 1011931873 /nfs/dbraw/zinc/93/18/73/1011931873.db2.gz KLZJTDXPOQHKJI-PMACEKPBSA-N 2 2 416.591 3.812 20 0 HHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000523472841 1011982137 /nfs/dbraw/zinc/98/21/37/1011982137.db2.gz DQNCIYVLZIPEBX-UHFFFAOYSA-N 2 2 401.530 3.665 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc2c(s1)CCCC2 ZINC000536778293 1011986169 /nfs/dbraw/zinc/98/61/69/1011986169.db2.gz YEWXQVBLAFVUGO-KRWDZBQOSA-N 2 2 401.576 3.584 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409183 1012148397 /nfs/dbraw/zinc/14/83/97/1012148397.db2.gz YCRGTPADFQANLJ-YADHBBJMSA-N 2 2 406.574 3.884 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409183 1012148403 /nfs/dbraw/zinc/14/84/03/1012148403.db2.gz YCRGTPADFQANLJ-YADHBBJMSA-N 2 2 406.574 3.884 20 0 HHADLP Clc1ccc(-n2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nn2)c(Cl)c1 ZINC000552303152 1012316193 /nfs/dbraw/zinc/31/61/93/1012316193.db2.gz LMQYLQQVDYSILH-UHFFFAOYSA-N 2 2 424.376 3.651 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000537018272 1012322306 /nfs/dbraw/zinc/32/23/06/1012322306.db2.gz QLMIVDBELABJDQ-ROUUACIJSA-N 2 2 417.500 3.844 20 0 HHADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000552330919 1012338839 /nfs/dbraw/zinc/33/88/39/1012338839.db2.gz RRVLPPTUJMJDKR-HSZRJFAPSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599445 1012392118 /nfs/dbraw/zinc/39/21/18/1012392118.db2.gz MTQGBWULNGOIGY-LSDHHAIUSA-N 2 2 409.368 3.963 20 0 HHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599445 1012392140 /nfs/dbraw/zinc/39/21/40/1012392140.db2.gz MTQGBWULNGOIGY-LSDHHAIUSA-N 2 2 409.368 3.963 20 0 HHADLP Cc1cnc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000541601978 1012399630 /nfs/dbraw/zinc/39/96/30/1012399630.db2.gz YHNOQCLBQQFRSJ-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1cnc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C2CC2)s1 ZINC000541601978 1012399642 /nfs/dbraw/zinc/39/96/42/1012399642.db2.gz YHNOQCLBQQFRSJ-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)c2)cc[nH+]1 ZINC000541646745 1012467735 /nfs/dbraw/zinc/46/77/35/1012467735.db2.gz SHZKHCIQZKDMKD-QHCPKHFHSA-N 2 2 415.541 3.964 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1c(C)noc1C ZINC000541649048 1012470192 /nfs/dbraw/zinc/47/01/92/1012470192.db2.gz VQCMEZVZGLISQQ-HSZRJFAPSA-N 2 2 420.557 3.830 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000537110782 1012483738 /nfs/dbraw/zinc/48/37/38/1012483738.db2.gz SXZVPBNKJXCLHD-INIZCTEOSA-N 2 2 403.498 3.506 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000541661194 1012488997 /nfs/dbraw/zinc/48/89/97/1012488997.db2.gz YATWTOAGTITUTQ-GDBMZVCRSA-N 2 2 421.010 3.975 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000552663850 1012663786 /nfs/dbraw/zinc/66/37/86/1012663786.db2.gz XIYVVPHJUWTPEZ-KDURUIRLSA-N 2 2 415.603 3.900 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000552663850 1012663798 /nfs/dbraw/zinc/66/37/98/1012663798.db2.gz XIYVVPHJUWTPEZ-KDURUIRLSA-N 2 2 415.603 3.900 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801501 1012679825 /nfs/dbraw/zinc/67/98/25/1012679825.db2.gz YZOVMKGPEGCGDS-HMXCVIKNSA-N 2 2 419.491 3.775 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801501 1012679830 /nfs/dbraw/zinc/67/98/30/1012679830.db2.gz YZOVMKGPEGCGDS-HMXCVIKNSA-N 2 2 419.491 3.775 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537243587 1012685757 /nfs/dbraw/zinc/68/57/57/1012685757.db2.gz RFMHAQYDCPBGIW-NHCUHLMSSA-N 2 2 417.598 3.670 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537243587 1012685765 /nfs/dbraw/zinc/68/57/65/1012685765.db2.gz RFMHAQYDCPBGIW-NHCUHLMSSA-N 2 2 417.598 3.670 20 0 HHADLP CSC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913396 1012770493 /nfs/dbraw/zinc/77/04/93/1012770493.db2.gz IXACEOLVJDCKIA-QZTJIDSGSA-N 2 2 417.541 3.642 20 0 HHADLP CSC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913396 1012770506 /nfs/dbraw/zinc/77/05/06/1012770506.db2.gz IXACEOLVJDCKIA-QZTJIDSGSA-N 2 2 417.541 3.642 20 0 HHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000542013341 1012898355 /nfs/dbraw/zinc/89/83/55/1012898355.db2.gz QPIJHPWXBXVGQB-UHFFFAOYSA-N 2 2 422.577 3.855 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542030473 1012927212 /nfs/dbraw/zinc/92/72/12/1012927212.db2.gz BMHMVNQWIBMIPF-PKTZIBPZSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542030473 1012927221 /nfs/dbraw/zinc/92/72/21/1012927221.db2.gz BMHMVNQWIBMIPF-PKTZIBPZSA-N 2 2 413.610 3.761 20 0 HHADLP CC[NH+](CC)CCCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000542051821 1012961269 /nfs/dbraw/zinc/96/12/69/1012961269.db2.gz CQOXQZSJACONCV-UHFFFAOYSA-N 2 2 401.599 3.594 20 0 HHADLP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccc(F)cc1 ZINC000537488629 1013000772 /nfs/dbraw/zinc/00/07/72/1013000772.db2.gz WWBAXYGORPPCLM-MRXNPFEDSA-N 2 2 423.540 3.813 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC001670854652 1071793695 /nfs/dbraw/zinc/79/36/95/1071793695.db2.gz KVULQPLDMYYFRO-CBPXPLCBSA-N 2 2 422.658 3.559 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC001670854652 1071793707 /nfs/dbraw/zinc/79/37/07/1071793707.db2.gz KVULQPLDMYYFRO-CBPXPLCBSA-N 2 2 422.658 3.559 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683892 1071805497 /nfs/dbraw/zinc/80/54/97/1071805497.db2.gz FNFMEJJIQBGOKV-RTWAWAEBSA-N 2 2 416.949 3.880 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683892 1071805518 /nfs/dbraw/zinc/80/55/18/1071805518.db2.gz FNFMEJJIQBGOKV-RTWAWAEBSA-N 2 2 416.949 3.880 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684626 1071821989 /nfs/dbraw/zinc/82/19/89/1071821989.db2.gz UQXPQTWOHGGADE-DQEYMECFSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684626 1071821993 /nfs/dbraw/zinc/82/19/93/1071821993.db2.gz UQXPQTWOHGGADE-DQEYMECFSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684628 1071822468 /nfs/dbraw/zinc/82/24/68/1071822468.db2.gz UQXPQTWOHGGADE-LOSJGSFVSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684628 1071822477 /nfs/dbraw/zinc/82/24/77/1071822477.db2.gz UQXPQTWOHGGADE-LOSJGSFVSA-N 2 2 416.569 3.860 20 0 HHADLP CCN(C(=O)CCN(C)c1cc[nH+]cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000568899717 1071971873 /nfs/dbraw/zinc/97/18/73/1071971873.db2.gz LRORJFGPRDRYRN-UHFFFAOYSA-N 2 2 424.593 3.647 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270972 1072015903 /nfs/dbraw/zinc/01/59/03/1072015903.db2.gz APHWYXXYMWYBEZ-GMAHTHKFSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270972 1072015910 /nfs/dbraw/zinc/01/59/10/1072015910.db2.gz APHWYXXYMWYBEZ-GMAHTHKFSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270972 1072015918 /nfs/dbraw/zinc/01/59/18/1072015918.db2.gz APHWYXXYMWYBEZ-GMAHTHKFSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270972 1072015922 /nfs/dbraw/zinc/01/59/22/1072015922.db2.gz APHWYXXYMWYBEZ-GMAHTHKFSA-N 2 2 413.512 3.791 20 0 HHADLP C[C@@]1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487827376 1072074431 /nfs/dbraw/zinc/07/44/31/1072074431.db2.gz ZLRYFAQPXNJTBD-DEOSSOPVSA-N 2 2 403.530 3.726 20 0 HHADLP C[C@@]1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000487827376 1072074444 /nfs/dbraw/zinc/07/44/44/1072074444.db2.gz ZLRYFAQPXNJTBD-DEOSSOPVSA-N 2 2 403.530 3.726 20 0 HHADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000570268098 1072215895 /nfs/dbraw/zinc/21/58/95/1072215895.db2.gz KRQMESSVTPVRTA-FQEVSTJZSA-N 2 2 402.583 3.810 20 0 HHADLP CC(C)C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)Nc1nccs1 ZINC000565722141 1072606861 /nfs/dbraw/zinc/60/68/61/1072606861.db2.gz IRXSWPHZWCZTQX-FQEVSTJZSA-N 2 2 400.592 3.793 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1N ZINC000571689863 1072698234 /nfs/dbraw/zinc/69/82/34/1072698234.db2.gz WOKBPSHHVCYKNX-UHFFFAOYSA-N 2 2 402.134 3.512 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(Br)c1N ZINC000571689863 1072698241 /nfs/dbraw/zinc/69/82/41/1072698241.db2.gz WOKBPSHHVCYKNX-UHFFFAOYSA-N 2 2 402.134 3.512 20 0 HHADLP CN(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000479378595 1072786942 /nfs/dbraw/zinc/78/69/42/1072786942.db2.gz HOZYZRBLTPEZIG-YUBNGQEKSA-N 2 2 422.976 3.883 20 0 HHADLP CN(C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000479378595 1072786947 /nfs/dbraw/zinc/78/69/47/1072786947.db2.gz HOZYZRBLTPEZIG-YUBNGQEKSA-N 2 2 422.976 3.883 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392994 1072806405 /nfs/dbraw/zinc/80/64/05/1072806405.db2.gz MGQBLWZOXUVPBL-KGLIPLIRSA-N 2 2 422.422 3.659 20 0 HHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392994 1072806420 /nfs/dbraw/zinc/80/64/20/1072806420.db2.gz MGQBLWZOXUVPBL-KGLIPLIRSA-N 2 2 422.422 3.659 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590150555 1073592448 /nfs/dbraw/zinc/59/24/48/1073592448.db2.gz BHVNVTPDEJEPGM-APWZRJJASA-N 2 2 401.942 3.789 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590152252 1073594788 /nfs/dbraw/zinc/59/47/88/1073594788.db2.gz ZZSVZDMZUXXQJR-QGZVFWFLSA-N 2 2 401.942 3.617 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)ccc1Br ZINC000555598152 1073664813 /nfs/dbraw/zinc/66/48/13/1073664813.db2.gz PEKQPBJIEIDRDS-TZIWHRDSSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)ccc1Br ZINC000555598152 1073664818 /nfs/dbraw/zinc/66/48/18/1073664818.db2.gz PEKQPBJIEIDRDS-TZIWHRDSSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598152 1073664821 /nfs/dbraw/zinc/66/48/21/1073664821.db2.gz PEKQPBJIEIDRDS-TZIWHRDSSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598152 1073664824 /nfs/dbraw/zinc/66/48/24/1073664824.db2.gz PEKQPBJIEIDRDS-TZIWHRDSSA-N 2 2 420.395 3.671 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853312 1074018578 /nfs/dbraw/zinc/01/85/78/1074018578.db2.gz ZDPUTJXBMOUUOX-UXHICEINSA-N 2 2 401.942 3.720 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000591063902 1074113973 /nfs/dbraw/zinc/11/39/73/1074113973.db2.gz HCVKZHSZRYSCSR-QFIPXVFZSA-N 2 2 421.585 3.898 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000591063902 1074113979 /nfs/dbraw/zinc/11/39/79/1074113979.db2.gz HCVKZHSZRYSCSR-QFIPXVFZSA-N 2 2 421.585 3.898 20 0 HHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251628 1074187825 /nfs/dbraw/zinc/18/78/25/1074187825.db2.gz KEMULTXEQLBWSD-NFBKMPQASA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251628 1074187827 /nfs/dbraw/zinc/18/78/27/1074187827.db2.gz KEMULTXEQLBWSD-NFBKMPQASA-N 2 2 407.558 3.931 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591479845 1074336272 /nfs/dbraw/zinc/33/62/72/1074336272.db2.gz VLLJNZHDYOFULB-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591479845 1074336277 /nfs/dbraw/zinc/33/62/77/1074336277.db2.gz VLLJNZHDYOFULB-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000573332515 1074360625 /nfs/dbraw/zinc/36/06/25/1074360625.db2.gz GSXFBNOPMQGDQE-INIZCTEOSA-N 2 2 401.580 3.622 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522166 1074362396 /nfs/dbraw/zinc/36/23/96/1074362396.db2.gz AJUVPSBVYOXVCH-ZCNNSNEGSA-N 2 2 416.610 3.958 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522166 1074362404 /nfs/dbraw/zinc/36/24/04/1074362404.db2.gz AJUVPSBVYOXVCH-ZCNNSNEGSA-N 2 2 416.610 3.958 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591557734 1074406307 /nfs/dbraw/zinc/40/63/07/1074406307.db2.gz VMZPVLRIZSPZFK-PXNSSMCTSA-N 2 2 422.976 3.886 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3c4ccccc4CC34CCOCC4)CC2)cc1 ZINC000573732185 1074639419 /nfs/dbraw/zinc/63/94/19/1074639419.db2.gz RYGCNKKQSXYZAU-RUZDIDTESA-N 2 2 405.586 3.883 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292504 1075189792 /nfs/dbraw/zinc/18/97/92/1075189792.db2.gz CQLWYSRHMGBQHC-ISKFKSNPSA-N 2 2 406.505 3.907 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292504 1075189794 /nfs/dbraw/zinc/18/97/94/1075189794.db2.gz CQLWYSRHMGBQHC-ISKFKSNPSA-N 2 2 406.505 3.907 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000595002505 1075392353 /nfs/dbraw/zinc/39/23/53/1075392353.db2.gz JBRWLOFAKJBWSO-UHFFFAOYSA-N 2 2 400.611 3.628 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000595002505 1075392355 /nfs/dbraw/zinc/39/23/55/1075392355.db2.gz JBRWLOFAKJBWSO-UHFFFAOYSA-N 2 2 400.611 3.628 20 0 HHADLP CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000575028184 1075445958 /nfs/dbraw/zinc/44/59/58/1075445958.db2.gz VXJWAFWZGCIKSV-OAHLLOKOSA-N 2 2 408.340 3.970 20 0 HHADLP CCCOc1c(Br)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000575028184 1075445960 /nfs/dbraw/zinc/44/59/60/1075445960.db2.gz VXJWAFWZGCIKSV-OAHLLOKOSA-N 2 2 408.340 3.970 20 0 HHADLP CN(C(=O)c1ccc(COc2ccccc2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474445 1075618281 /nfs/dbraw/zinc/61/82/81/1075618281.db2.gz PGPNLPRGQKEDHE-HSZRJFAPSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)c1ccc(COc2ccccc2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474445 1075618282 /nfs/dbraw/zinc/61/82/82/1075618282.db2.gz PGPNLPRGQKEDHE-HSZRJFAPSA-N 2 2 407.558 3.506 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476418 1075619236 /nfs/dbraw/zinc/61/92/36/1075619236.db2.gz DOAVZQCYTOLCHG-DNVCBOLYSA-N 2 2 412.405 3.799 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476418 1075619238 /nfs/dbraw/zinc/61/92/38/1075619238.db2.gz DOAVZQCYTOLCHG-DNVCBOLYSA-N 2 2 412.405 3.799 20 0 HHADLP CC(C)OCc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478981 1075621084 /nfs/dbraw/zinc/62/10/84/1075621084.db2.gz QIVZIBMLFBDXPJ-LJQANCHMSA-N 2 2 413.562 3.598 20 0 HHADLP CC(C)OCc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478981 1075621085 /nfs/dbraw/zinc/62/10/85/1075621085.db2.gz QIVZIBMLFBDXPJ-LJQANCHMSA-N 2 2 413.562 3.598 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193177 1075710321 /nfs/dbraw/zinc/71/03/21/1075710321.db2.gz BDNLYWYBGFYPOC-SXLOBPIMSA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193177 1075710326 /nfs/dbraw/zinc/71/03/26/1075710326.db2.gz BDNLYWYBGFYPOC-SXLOBPIMSA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(CSc4ccccc4)cc3)C2)CC1 ZINC000602205173 1075713080 /nfs/dbraw/zinc/71/30/80/1075713080.db2.gz TZGGFCRBQBOLNX-OAQYLSRUSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(CSc4ccccc4)cc3)C2)CC1 ZINC000602205173 1075713086 /nfs/dbraw/zinc/71/30/86/1075713086.db2.gz TZGGFCRBQBOLNX-OAQYLSRUSA-N 2 2 409.599 3.877 20 0 HHADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccc(F)cc1 ZINC000602204711 1075713112 /nfs/dbraw/zinc/71/31/12/1075713112.db2.gz XNYJPGTXVKQZRP-GOSISDBHSA-N 2 2 401.551 3.761 20 0 HHADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1-c1ccc(F)cc1 ZINC000602204711 1075713116 /nfs/dbraw/zinc/71/31/16/1075713116.db2.gz XNYJPGTXVKQZRP-GOSISDBHSA-N 2 2 401.551 3.761 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1 ZINC000602204469 1075713615 /nfs/dbraw/zinc/71/36/15/1075713615.db2.gz IZNIIZYUPLDJEN-KRWDZBQOSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)CC1 ZINC000602204469 1075713617 /nfs/dbraw/zinc/71/36/17/1075713617.db2.gz IZNIIZYUPLDJEN-KRWDZBQOSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)CC1 ZINC000602200811 1075717173 /nfs/dbraw/zinc/71/71/73/1075717173.db2.gz IODYUQKLUZCTOO-FQEVSTJZSA-N 2 2 403.998 3.827 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)CC1 ZINC000602200811 1075717175 /nfs/dbraw/zinc/71/71/75/1075717175.db2.gz IODYUQKLUZCTOO-FQEVSTJZSA-N 2 2 403.998 3.827 20 0 HHADLP Cc1[nH+]cc2n1CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164441475 718992129 /nfs/dbraw/zinc/99/21/29/718992129.db2.gz ZUKJFWHEFJZANU-UHFFFAOYSA-N 2 2 422.602 3.937 20 0 HHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685569 719670968 /nfs/dbraw/zinc/67/09/68/719670968.db2.gz VLTZUQBEVIEHOT-IBGZPJMESA-N 2 2 424.564 3.623 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCCCC4)cc[nH+]2)CC3)cs1 ZINC001164692200 719811128 /nfs/dbraw/zinc/81/11/28/719811128.db2.gz NZFFZZDHOWQRNN-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCCCC4)cc[nH+]2)CC3)cs1 ZINC001164692200 719811129 /nfs/dbraw/zinc/81/11/29/719811129.db2.gz NZFFZZDHOWQRNN-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164699294 719897266 /nfs/dbraw/zinc/89/72/66/719897266.db2.gz ZHKDHPSLNZTBHX-UHFFFAOYSA-N 2 2 411.575 3.945 20 0 HHADLP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164699294 719897267 /nfs/dbraw/zinc/89/72/67/719897267.db2.gz ZHKDHPSLNZTBHX-UHFFFAOYSA-N 2 2 411.575 3.945 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1NC(C)C ZINC001164843725 720654686 /nfs/dbraw/zinc/65/46/86/720654686.db2.gz XHZGUUDGENSXOA-NRFANRHFSA-N 2 2 409.578 3.865 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1NC(C)C ZINC001164843725 720654695 /nfs/dbraw/zinc/65/46/95/720654695.db2.gz XHZGUUDGENSXOA-NRFANRHFSA-N 2 2 409.578 3.865 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839929 720688917 /nfs/dbraw/zinc/68/89/17/720688917.db2.gz CWTUOURQZKCCPZ-NRFANRHFSA-N 2 2 423.557 3.745 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839929 720688923 /nfs/dbraw/zinc/68/89/23/720688923.db2.gz CWTUOURQZKCCPZ-NRFANRHFSA-N 2 2 423.557 3.745 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164839827 720712133 /nfs/dbraw/zinc/71/21/33/720712133.db2.gz NMMMELZKGPZNNY-JOCHJYFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164839827 720712139 /nfs/dbraw/zinc/71/21/39/720712139.db2.gz NMMMELZKGPZNNY-JOCHJYFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164839827 720712144 /nfs/dbraw/zinc/71/21/44/720712144.db2.gz NMMMELZKGPZNNY-JOCHJYFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164839827 720712148 /nfs/dbraw/zinc/71/21/48/720712148.db2.gz NMMMELZKGPZNNY-JOCHJYFZSA-N 2 2 421.589 3.727 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739819 720829728 /nfs/dbraw/zinc/82/97/28/720829728.db2.gz IWTOWKQCYLSKDU-SXWKCWPCSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739819 720829729 /nfs/dbraw/zinc/82/97/29/720829729.db2.gz IWTOWKQCYLSKDU-SXWKCWPCSA-N 2 2 402.546 3.514 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029634 721811080 /nfs/dbraw/zinc/81/10/80/721811080.db2.gz ZWJRZTWQBKSXCV-TYPHKJRUSA-N 2 2 408.546 3.617 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029634 721811082 /nfs/dbraw/zinc/81/10/82/721811082.db2.gz ZWJRZTWQBKSXCV-TYPHKJRUSA-N 2 2 408.546 3.617 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(NCC5CC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938682 721919890 /nfs/dbraw/zinc/91/98/90/721919890.db2.gz QETUMINHSDAVRL-UHFFFAOYSA-N 2 2 421.589 3.787 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(NCC5CC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938682 721919891 /nfs/dbraw/zinc/91/98/91/721919891.db2.gz QETUMINHSDAVRL-UHFFFAOYSA-N 2 2 421.589 3.787 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164940811 721926867 /nfs/dbraw/zinc/92/68/67/721926867.db2.gz VCYYPDFJGFFLSR-UHFFFAOYSA-N 2 2 405.546 3.755 20 0 HHADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164940811 721926870 /nfs/dbraw/zinc/92/68/70/721926870.db2.gz VCYYPDFJGFFLSR-UHFFFAOYSA-N 2 2 405.546 3.755 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c12 ZINC001164980627 722102645 /nfs/dbraw/zinc/10/26/45/722102645.db2.gz JTEINPNHRHNBEI-GMAHTHKFSA-N 2 2 402.542 3.974 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c12 ZINC001164980627 722102646 /nfs/dbraw/zinc/10/26/46/722102646.db2.gz JTEINPNHRHNBEI-GMAHTHKFSA-N 2 2 402.542 3.974 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000542112841 1013046751 /nfs/dbraw/zinc/04/67/51/1013046751.db2.gz FHRHVQBOUKATKC-FQEVSTJZSA-N 2 2 401.555 3.761 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542113753 1013047449 /nfs/dbraw/zinc/04/74/49/1013047449.db2.gz ZYXXKKCEKOHJKH-DEOSSOPVSA-N 2 2 423.605 3.650 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542113753 1013047456 /nfs/dbraw/zinc/04/74/56/1013047456.db2.gz ZYXXKKCEKOHJKH-DEOSSOPVSA-N 2 2 423.605 3.650 20 0 HHADLP COc1cc2[nH+]c(N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)nc(N)c2cc1OC ZINC000301726015 971042671 /nfs/dbraw/zinc/04/26/71/971042671.db2.gz AJBNGNNEOLYQNN-ZDUSSCGKSA-N 2 2 404.474 3.896 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302795021 971320685 /nfs/dbraw/zinc/32/06/85/971320685.db2.gz OHXAOERRAFDVTL-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302795021 971320689 /nfs/dbraw/zinc/32/06/89/971320689.db2.gz OHXAOERRAFDVTL-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302795021 971320696 /nfs/dbraw/zinc/32/06/96/971320696.db2.gz OHXAOERRAFDVTL-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302795021 971320698 /nfs/dbraw/zinc/32/06/98/971320698.db2.gz OHXAOERRAFDVTL-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000303393335 971678685 /nfs/dbraw/zinc/67/86/85/971678685.db2.gz QCCRXAOFWOFOAW-UHFFFAOYSA-N 2 2 407.543 3.846 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000303501759 971800679 /nfs/dbraw/zinc/80/06/79/971800679.db2.gz VCUWRTJBJNCEOQ-QHCPKHFHSA-N 2 2 406.555 3.756 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1F ZINC000553202277 1013161757 /nfs/dbraw/zinc/16/17/57/1013161757.db2.gz NXIFLDZTMIRFDK-OAHLLOKOSA-N 2 2 420.554 3.812 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537627318 1013177913 /nfs/dbraw/zinc/17/79/13/1013177913.db2.gz SDSBSWCVOMGULD-QHCPKHFHSA-N 2 2 421.585 3.642 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537627318 1013177918 /nfs/dbraw/zinc/17/79/18/1013177918.db2.gz SDSBSWCVOMGULD-QHCPKHFHSA-N 2 2 421.585 3.642 20 0 HHADLP C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537627318 1013177925 /nfs/dbraw/zinc/17/79/25/1013177925.db2.gz SDSBSWCVOMGULD-QHCPKHFHSA-N 2 2 421.585 3.642 20 0 HHADLP C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537627318 1013177932 /nfs/dbraw/zinc/17/79/32/1013177932.db2.gz SDSBSWCVOMGULD-QHCPKHFHSA-N 2 2 421.585 3.642 20 0 HHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553215738 1013179473 /nfs/dbraw/zinc/17/94/73/1013179473.db2.gz MTYGYLCRASVSAZ-DHIUTWEWSA-N 2 2 403.526 3.891 20 0 HHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553215738 1013179484 /nfs/dbraw/zinc/17/94/84/1013179484.db2.gz MTYGYLCRASVSAZ-DHIUTWEWSA-N 2 2 403.526 3.891 20 0 HHADLP C[NH+]1CCCC12CC[NH+](Cc1ccccc1CN1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000542268449 1013228296 /nfs/dbraw/zinc/22/82/96/1013228296.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CC[NH+](Cc1ccccc1CN1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000542268449 1013228299 /nfs/dbraw/zinc/22/82/99/1013228299.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CCN(Cc1ccccc1C[NH+]1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000542268449 1013228304 /nfs/dbraw/zinc/22/83/04/1013228304.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CCN(Cc1ccccc1C[NH+]1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000542268449 1013228310 /nfs/dbraw/zinc/22/83/10/1013228310.db2.gz QEGIVBJQQXHRSG-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP CN1C(=O)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542307564 1013264534 /nfs/dbraw/zinc/26/45/34/1013264534.db2.gz UBCSRKXKDARLOJ-IEBWSBKVSA-N 2 2 404.898 3.788 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000542464656 1013411924 /nfs/dbraw/zinc/41/19/24/1013411924.db2.gz DPETZOUEFUZUTQ-WOJBJXKFSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000542464656 1013411930 /nfs/dbraw/zinc/41/19/30/1013411930.db2.gz DPETZOUEFUZUTQ-WOJBJXKFSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000542464434 1013412569 /nfs/dbraw/zinc/41/25/69/1013412569.db2.gz IFXUQFKVFMEOOP-HXUWFJFHSA-N 2 2 413.319 3.912 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000542464434 1013412579 /nfs/dbraw/zinc/41/25/79/1013412579.db2.gz IFXUQFKVFMEOOP-HXUWFJFHSA-N 2 2 413.319 3.912 20 0 HHADLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782397 964060215 /nfs/dbraw/zinc/06/02/15/964060215.db2.gz KSEMZJRHFFUDTM-UHFFFAOYSA-N 2 2 411.303 3.640 20 0 HHADLP CC(C)(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000048967183 964100109 /nfs/dbraw/zinc/10/01/09/964100109.db2.gz SOTCEMATZOWATA-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP CC(C)(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000048967183 964100114 /nfs/dbraw/zinc/10/01/14/964100114.db2.gz SOTCEMATZOWATA-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)CC1 ZINC000050796984 964398933 /nfs/dbraw/zinc/39/89/33/964398933.db2.gz YOJHSSOWVVUAJY-UHFFFAOYSA-N 2 2 401.570 3.702 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)CC2)CC1 ZINC000050798035 964400132 /nfs/dbraw/zinc/40/01/32/964400132.db2.gz CIPDZACMKGTACO-UHFFFAOYSA-N 2 2 409.361 3.763 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1C ZINC000051645568 964648019 /nfs/dbraw/zinc/64/80/19/964648019.db2.gz AWLYVYNVZWHIMI-UHFFFAOYSA-N 2 2 414.575 3.620 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)CC2)CC1 ZINC000051777745 964695025 /nfs/dbraw/zinc/69/50/25/964695025.db2.gz GFRKMAXUTWFZRM-IBGZPJMESA-N 2 2 412.500 3.538 20 0 HHADLP FC(F)(F)c1cc(Cl)c2nnc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2c1 ZINC000537965730 1013543046 /nfs/dbraw/zinc/54/30/46/1013543046.db2.gz ATONOLJTEYUTSY-UHFFFAOYSA-N 2 2 410.831 3.555 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000054509416 965549309 /nfs/dbraw/zinc/54/93/09/965549309.db2.gz DEHDJFLEUOAMKB-APWZRJJASA-N 2 2 410.965 3.647 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000054509416 965549316 /nfs/dbraw/zinc/54/93/16/965549316.db2.gz DEHDJFLEUOAMKB-APWZRJJASA-N 2 2 410.965 3.647 20 0 HHADLP Brc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc2c1OCO2 ZINC000030651838 965755910 /nfs/dbraw/zinc/75/59/10/965755910.db2.gz DISYFNVPSYCWMS-UHFFFAOYSA-N 2 2 400.276 3.712 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041135 1013613138 /nfs/dbraw/zinc/61/31/38/1013613138.db2.gz IUXLADVANQVRQX-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041135 1013613139 /nfs/dbraw/zinc/61/31/39/1013613139.db2.gz IUXLADVANQVRQX-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041135 1013613141 /nfs/dbraw/zinc/61/31/41/1013613141.db2.gz IUXLADVANQVRQX-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041135 1013613143 /nfs/dbraw/zinc/61/31/43/1013613143.db2.gz IUXLADVANQVRQX-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000538044056 1013616882 /nfs/dbraw/zinc/61/68/82/1013616882.db2.gz SQLCSPCGTBTZAZ-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000538044056 1013616884 /nfs/dbraw/zinc/61/68/84/1013616884.db2.gz SQLCSPCGTBTZAZ-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061024989 966354124 /nfs/dbraw/zinc/35/41/24/966354124.db2.gz DAXKGJVHFJZYOC-UHFFFAOYSA-N 2 2 409.578 3.919 20 0 HHADLP CCC[NH+]1CCN(c2ccc(NC(=O)NCCCn3cc[nH+]c3C)cc2Cl)CC1 ZINC000056728329 966435599 /nfs/dbraw/zinc/43/55/99/966435599.db2.gz PRUVLZGKIJVJIK-UHFFFAOYSA-N 2 2 418.973 3.589 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)cc1 ZINC000056894947 966506337 /nfs/dbraw/zinc/50/63/37/966506337.db2.gz AAUVFRHFTUOHIH-UHFFFAOYSA-N 2 2 403.530 3.598 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)cc1 ZINC000056894947 966506342 /nfs/dbraw/zinc/50/63/42/966506342.db2.gz AAUVFRHFTUOHIH-UHFFFAOYSA-N 2 2 403.530 3.598 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000056894437 966506735 /nfs/dbraw/zinc/50/67/35/966506735.db2.gz WWPNRCNAWIXEHL-JOCHJYFZSA-N 2 2 419.529 3.517 20 0 HHADLP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000542750500 1013659880 /nfs/dbraw/zinc/65/98/80/1013659880.db2.gz LRODVUUYEIMYFH-UHFFFAOYSA-N 2 2 405.546 3.692 20 0 HHADLP O=C(CC[NH2+][C@H](c1ccccc1F)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538098952 1013668800 /nfs/dbraw/zinc/66/88/00/1013668800.db2.gz MYXIZVQJWNNGBI-DEOSSOPVSA-N 2 2 410.537 3.781 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000043076988 966896894 /nfs/dbraw/zinc/89/68/94/966896894.db2.gz SFHWATHDDNUNRZ-UHFFFAOYSA-N 2 2 408.571 3.657 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136439 966912811 /nfs/dbraw/zinc/91/28/11/966912811.db2.gz WKAQSHMNHRSYTH-OAQYLSRUSA-N 2 2 407.518 3.551 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063657031 966919595 /nfs/dbraw/zinc/91/95/95/966919595.db2.gz ZLHAUQORQRKYNI-UHFFFAOYSA-N 2 2 404.514 3.813 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517655 966989834 /nfs/dbraw/zinc/98/98/34/966989834.db2.gz CTFKYYFFFVDPOG-KRWDZBQOSA-N 2 2 403.552 3.681 20 0 HHADLP COc1cccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000044836040 967299545 /nfs/dbraw/zinc/29/95/45/967299545.db2.gz ILJNFXGXEIGLRZ-HSZRJFAPSA-N 2 2 404.514 3.507 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045788836 967553030 /nfs/dbraw/zinc/55/30/30/967553030.db2.gz UZFZWBQMJOYFJQ-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045788836 967553033 /nfs/dbraw/zinc/55/30/33/967553033.db2.gz UZFZWBQMJOYFJQ-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211986 1013765166 /nfs/dbraw/zinc/76/51/66/1013765166.db2.gz PMAPUNSQBWIDOG-MOPGFXCFSA-N 2 2 422.552 3.960 20 0 HHADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264471 1013806427 /nfs/dbraw/zinc/80/64/27/1013806427.db2.gz WOTQPTTUFUFTEJ-FCHUYYIVSA-N 2 2 408.590 3.728 20 0 HHADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264471 1013806436 /nfs/dbraw/zinc/80/64/36/1013806436.db2.gz WOTQPTTUFUFTEJ-FCHUYYIVSA-N 2 2 408.590 3.728 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000538290649 1013826783 /nfs/dbraw/zinc/82/67/83/1013826783.db2.gz MTVXTBPWQRROLI-GHTZIAJQSA-N 2 2 403.530 3.906 20 0 HHADLP Cc1cc([C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)C2CC2)ccc1F ZINC000538323176 1013849800 /nfs/dbraw/zinc/84/98/00/1013849800.db2.gz IYUKKZCCJDQMCT-QFIPXVFZSA-N 2 2 401.551 3.581 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000106112723 969291077 /nfs/dbraw/zinc/29/10/77/969291077.db2.gz FNVNUZAMUQHBND-HSZRJFAPSA-N 2 2 406.530 3.753 20 0 HHADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000138679123 970007613 /nfs/dbraw/zinc/00/76/13/970007613.db2.gz QHFXPQKTPUFUDA-UHFFFAOYSA-N 2 2 406.555 3.775 20 0 HHADLP c1ccc2nc(N3CCOCC3)c(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000139369368 970030746 /nfs/dbraw/zinc/03/07/46/970030746.db2.gz DAWIKXTYMHUJFU-UHFFFAOYSA-N 2 2 416.569 3.609 20 0 HHADLP c1ccc2nc(N3CCOCC3)c(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000139369368 970030757 /nfs/dbraw/zinc/03/07/57/970030757.db2.gz DAWIKXTYMHUJFU-UHFFFAOYSA-N 2 2 416.569 3.609 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3OC3CCCC3)CC2)CC1 ZINC000215997947 970059653 /nfs/dbraw/zinc/05/96/53/970059653.db2.gz ZJHPNMYFWLUNMH-UHFFFAOYSA-N 2 2 400.567 3.688 20 0 HHADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000554440533 1013950348 /nfs/dbraw/zinc/95/03/48/1013950348.db2.gz RTILIRBLSMVKKF-FQEVSTJZSA-N 2 2 402.583 3.810 20 0 HHADLP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000236725113 970163369 /nfs/dbraw/zinc/16/33/69/970163369.db2.gz LRWFRHRHWDLIGY-UHFFFAOYSA-N 2 2 400.592 3.556 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000237102104 970222331 /nfs/dbraw/zinc/22/23/31/970222331.db2.gz HTFRTFYSMLUMFK-UHFFFAOYSA-N 2 2 404.345 3.683 20 0 HHADLP COCCCOc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000237247428 970248458 /nfs/dbraw/zinc/24/84/58/970248458.db2.gz CACKETYQLMYLFB-UHFFFAOYSA-N 2 2 417.981 3.797 20 0 HHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000237571461 970314854 /nfs/dbraw/zinc/31/48/54/970314854.db2.gz OBQLBMSNYFLVLN-WOJBJXKFSA-N 2 2 405.546 3.523 20 0 HHADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000386035354 972798042 /nfs/dbraw/zinc/79/80/42/972798042.db2.gz YYPSSFBMGHWFRC-INIZCTEOSA-N 2 2 403.320 3.790 20 0 HHADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000386035354 972798054 /nfs/dbraw/zinc/79/80/54/972798054.db2.gz YYPSSFBMGHWFRC-INIZCTEOSA-N 2 2 403.320 3.790 20 0 HHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000388566058 972806247 /nfs/dbraw/zinc/80/62/47/972806247.db2.gz DROGTWWQTMEOMO-QGZVFWFLSA-N 2 2 417.347 3.847 20 0 HHADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000388566058 972806260 /nfs/dbraw/zinc/80/62/60/972806260.db2.gz DROGTWWQTMEOMO-QGZVFWFLSA-N 2 2 417.347 3.847 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977418 972873957 /nfs/dbraw/zinc/87/39/57/972873957.db2.gz LDQIPWPDIYNGEP-JXFKEZNVSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977418 972873971 /nfs/dbraw/zinc/87/39/71/972873971.db2.gz LDQIPWPDIYNGEP-JXFKEZNVSA-N 2 2 416.363 3.888 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCC1 ZINC000409527826 972983681 /nfs/dbraw/zinc/98/36/81/972983681.db2.gz FBDVZEVYHAPUPJ-IRLDBZIGSA-N 2 2 415.965 3.905 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC4(CCCC4)c4c3cccc4F)CC2)CC1 ZINC000409632665 973078800 /nfs/dbraw/zinc/07/88/00/973078800.db2.gz UIGWXTSXADEOSM-UHFFFAOYSA-N 2 2 414.569 3.726 20 0 HHADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410306319 973846484 /nfs/dbraw/zinc/84/64/84/973846484.db2.gz JZRHHWIDMWQLOE-JOCHJYFZSA-N 2 2 406.574 3.838 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976846 974086903 /nfs/dbraw/zinc/08/69/03/974086903.db2.gz IHTISTGYUPOWIB-RBUKOAKNSA-N 2 2 423.483 3.685 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CCC(F)(F)F ZINC000425976846 974086944 /nfs/dbraw/zinc/08/69/44/974086944.db2.gz IHTISTGYUPOWIB-RBUKOAKNSA-N 2 2 423.483 3.685 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)n1 ZINC000425988798 974100605 /nfs/dbraw/zinc/10/06/05/974100605.db2.gz HNUCGIJTQNERHN-VWLOTQADSA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)n1 ZINC000425988798 974100620 /nfs/dbraw/zinc/10/06/20/974100620.db2.gz HNUCGIJTQNERHN-VWLOTQADSA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000425988798 974100624 /nfs/dbraw/zinc/10/06/24/974100624.db2.gz HNUCGIJTQNERHN-VWLOTQADSA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000425988798 974100629 /nfs/dbraw/zinc/10/06/29/974100629.db2.gz HNUCGIJTQNERHN-VWLOTQADSA-N 2 2 404.558 3.558 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426023001 974142680 /nfs/dbraw/zinc/14/26/80/974142680.db2.gz PBZQHLXEBXKURV-ZLNRFVROSA-N 2 2 409.578 3.921 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)C[C@@H](C)O1 ZINC000426805552 974674323 /nfs/dbraw/zinc/67/43/23/974674323.db2.gz CLHNCJBAHHWGCO-HZPDHXFCSA-N 2 2 411.949 3.629 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000427333655 975059032 /nfs/dbraw/zinc/05/90/32/975059032.db2.gz BBGCNQTXCNHRRV-PMACEKPBSA-N 2 2 410.562 3.532 20 0 HHADLP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222056 975543799 /nfs/dbraw/zinc/54/37/99/975543799.db2.gz SRUDDLMJHMEWBA-ROUUACIJSA-N 2 2 410.653 3.920 20 0 HHADLP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222056 975543805 /nfs/dbraw/zinc/54/38/05/975543805.db2.gz SRUDDLMJHMEWBA-ROUUACIJSA-N 2 2 410.653 3.920 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000428547734 975855899 /nfs/dbraw/zinc/85/58/99/975855899.db2.gz YYLPCNMNJNPTBH-RPBOFIJWSA-N 2 2 410.558 3.625 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000428547734 975855906 /nfs/dbraw/zinc/85/59/06/975855906.db2.gz YYLPCNMNJNPTBH-RPBOFIJWSA-N 2 2 410.558 3.625 20 0 HHADLP C[C@]12CC[N@H+](CC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000428706969 975998353 /nfs/dbraw/zinc/99/83/53/975998353.db2.gz FDYQYRKBNGHDAT-NSHGMRRFSA-N 2 2 411.924 3.570 20 0 HHADLP C[C@]12CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000428706969 975998356 /nfs/dbraw/zinc/99/83/56/975998356.db2.gz FDYQYRKBNGHDAT-NSHGMRRFSA-N 2 2 411.924 3.570 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000428771293 976043191 /nfs/dbraw/zinc/04/31/91/976043191.db2.gz XSIGNCVFCDTWJQ-UHFFFAOYSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428783737 976059231 /nfs/dbraw/zinc/05/92/31/976059231.db2.gz KCGAGBTYURPJFS-OALUTQOASA-N 2 2 409.578 3.517 20 0 HHADLP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000429044307 976329533 /nfs/dbraw/zinc/32/95/33/976329533.db2.gz HLNMAVXDVWWKEV-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000429044307 976329545 /nfs/dbraw/zinc/32/95/45/976329545.db2.gz HLNMAVXDVWWKEV-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691956 976983989 /nfs/dbraw/zinc/98/39/89/976983989.db2.gz QANWBKFHZLFSFL-RDGATRHJSA-N 2 2 408.542 3.790 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691956 976984000 /nfs/dbraw/zinc/98/40/00/976984000.db2.gz QANWBKFHZLFSFL-RDGATRHJSA-N 2 2 408.542 3.790 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000429723626 977014760 /nfs/dbraw/zinc/01/47/60/977014760.db2.gz VDMZWPOSZSDCBH-INIZCTEOSA-N 2 2 410.436 3.692 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797417 977073630 /nfs/dbraw/zinc/07/36/30/977073630.db2.gz BCQURCTZCAQRAG-OIBXWCBGSA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797417 977073639 /nfs/dbraw/zinc/07/36/39/977073639.db2.gz BCQURCTZCAQRAG-OIBXWCBGSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797417 977073650 /nfs/dbraw/zinc/07/36/50/977073650.db2.gz BCQURCTZCAQRAG-OIBXWCBGSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000429797417 977073658 /nfs/dbraw/zinc/07/36/58/977073658.db2.gz BCQURCTZCAQRAG-OIBXWCBGSA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075165 /nfs/dbraw/zinc/07/51/65/977075165.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075177 /nfs/dbraw/zinc/07/51/77/977075177.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075189 /nfs/dbraw/zinc/07/51/89/977075189.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@@H](C)C1 ZINC000429798601 977075205 /nfs/dbraw/zinc/07/52/05/977075205.db2.gz JKCVJJQQPACYCM-GBXCKJPGSA-N 2 2 409.574 3.544 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430270855 977436117 /nfs/dbraw/zinc/43/61/17/977436117.db2.gz WGRMKOYDBMUQNS-INIZCTEOSA-N 2 2 424.376 3.668 20 0 HHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426248 977539066 /nfs/dbraw/zinc/53/90/66/977539066.db2.gz NHIHONIJFRXVKS-MOPGFXCFSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426248 977539070 /nfs/dbraw/zinc/53/90/70/977539070.db2.gz NHIHONIJFRXVKS-MOPGFXCFSA-N 2 2 417.985 3.869 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000430512217 977608838 /nfs/dbraw/zinc/60/88/38/977608838.db2.gz YPOFWQDFWCKSLO-RCZVLFRGSA-N 2 2 408.590 3.986 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000430512217 977608842 /nfs/dbraw/zinc/60/88/42/977608842.db2.gz YPOFWQDFWCKSLO-RCZVLFRGSA-N 2 2 408.590 3.986 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cccc(C(F)(F)F)c2F)([NH+]2CCCCC2)CC1 ZINC000430614830 977656090 /nfs/dbraw/zinc/65/60/90/977656090.db2.gz AFXLEUVLKNIINH-UHFFFAOYSA-N 2 2 401.448 3.525 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC3CC[NH+](CCC(C)C)CC3)cn2c1 ZINC000430885817 977852419 /nfs/dbraw/zinc/85/24/19/977852419.db2.gz PFMHCHCWTVNJJB-UHFFFAOYSA-N 2 2 402.608 3.750 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430914736 977883131 /nfs/dbraw/zinc/88/31/31/977883131.db2.gz MRZBSXLTJDTTFI-UHFFFAOYSA-N 2 2 417.985 3.869 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000431630191 978396815 /nfs/dbraw/zinc/39/68/15/978396815.db2.gz HZQJAGQNDWGEHD-UHFFFAOYSA-N 2 2 422.960 3.908 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431787619 978513613 /nfs/dbraw/zinc/51/36/13/978513613.db2.gz WGTDNCDCOWGLMN-UHFFFAOYSA-N 2 2 408.571 3.564 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431874693 978568466 /nfs/dbraw/zinc/56/84/66/978568466.db2.gz FLRHHBXNIBTHPM-FGZHOGPDSA-N 2 2 411.594 3.674 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431911147 978594624 /nfs/dbraw/zinc/59/46/24/978594624.db2.gz XXMYNTAAHXISGP-OALUTQOASA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431911147 978594626 /nfs/dbraw/zinc/59/46/26/978594626.db2.gz XXMYNTAAHXISGP-OALUTQOASA-N 2 2 415.607 3.547 20 0 HHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H](C(F)(F)F)C1 ZINC000432417668 978803223 /nfs/dbraw/zinc/80/32/23/978803223.db2.gz NLDZRUZTNJERPB-HZPDHXFCSA-N 2 2 424.467 3.809 20 0 HHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H](C(F)(F)F)C1 ZINC000432417668 978803234 /nfs/dbraw/zinc/80/32/34/978803234.db2.gz NLDZRUZTNJERPB-HZPDHXFCSA-N 2 2 424.467 3.809 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432448659 978817874 /nfs/dbraw/zinc/81/78/74/978817874.db2.gz JREBYRNWLVHDML-FCHUYYIVSA-N 2 2 411.594 3.955 20 0 HHADLP COc1cc(C[NH+]2CCOCC23CCCC3)cc(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000432772438 978969835 /nfs/dbraw/zinc/96/98/35/978969835.db2.gz UNEDVJJECFCBCB-UHFFFAOYSA-N 2 2 414.590 3.985 20 0 HHADLP COc1cc(C[NH+]2CCOCC23CCCC3)cc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000432772438 978969836 /nfs/dbraw/zinc/96/98/36/978969836.db2.gz UNEDVJJECFCBCB-UHFFFAOYSA-N 2 2 414.590 3.985 20 0 HHADLP CCc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000433046644 979051114 /nfs/dbraw/zinc/05/11/14/979051114.db2.gz QFBVIAHAWKKOJQ-HSZRJFAPSA-N 2 2 407.558 3.509 20 0 HHADLP CCc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000433046644 979051116 /nfs/dbraw/zinc/05/11/16/979051116.db2.gz QFBVIAHAWKKOJQ-HSZRJFAPSA-N 2 2 407.558 3.509 20 0 HHADLP CC(C)c1nnc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000433175497 979119174 /nfs/dbraw/zinc/11/91/74/979119174.db2.gz OMHSOPDBVGNEMA-UHFFFAOYSA-N 2 2 413.591 3.588 20 0 HHADLP CC(C)c1nnc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000433175497 979119179 /nfs/dbraw/zinc/11/91/79/979119179.db2.gz OMHSOPDBVGNEMA-UHFFFAOYSA-N 2 2 413.591 3.588 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619650 979430184 /nfs/dbraw/zinc/43/01/84/979430184.db2.gz XIRGBWWMBJJXGA-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619650 979430190 /nfs/dbraw/zinc/43/01/90/979430190.db2.gz XIRGBWWMBJJXGA-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619650 979430194 /nfs/dbraw/zinc/43/01/94/979430194.db2.gz XIRGBWWMBJJXGA-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619650 979430201 /nfs/dbraw/zinc/43/02/01/979430201.db2.gz XIRGBWWMBJJXGA-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[NH+](C)C)cc1 ZINC000434088990 979836992 /nfs/dbraw/zinc/83/69/92/979836992.db2.gz ZVIZYRGLRHYVDU-QFIPXVFZSA-N 2 2 409.578 3.720 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259772 980023533 /nfs/dbraw/zinc/02/35/33/980023533.db2.gz LXCIOWZBOJIDQV-SIKLNZKXSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259772 980023539 /nfs/dbraw/zinc/02/35/39/980023539.db2.gz LXCIOWZBOJIDQV-SIKLNZKXSA-N 2 2 421.589 3.944 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434456288 980191705 /nfs/dbraw/zinc/19/17/05/980191705.db2.gz IYIDVKZYEVBCTN-BJESRGMDSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434456288 980191709 /nfs/dbraw/zinc/19/17/09/980191709.db2.gz IYIDVKZYEVBCTN-BJESRGMDSA-N 2 2 416.585 3.660 20 0 HHADLP CC(C)OCc1cccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434676812 980334073 /nfs/dbraw/zinc/33/40/73/980334073.db2.gz UGTFKAQUOJASBJ-UHFFFAOYSA-N 2 2 424.589 3.640 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688235 980340268 /nfs/dbraw/zinc/34/02/68/980340268.db2.gz JYCKRALMZVRTQI-ROUUACIJSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccc(CN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434690208 980342301 /nfs/dbraw/zinc/34/23/01/980342301.db2.gz FIAMHGWVDQHFHP-UHFFFAOYSA-N 2 2 422.573 3.599 20 0 HHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1Cl ZINC000434754633 980380402 /nfs/dbraw/zinc/38/04/02/980380402.db2.gz GODWAWHBNTVELQ-MRXNPFEDSA-N 2 2 400.954 3.930 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000434977899 980545347 /nfs/dbraw/zinc/54/53/47/980545347.db2.gz KOZIDLMMLCWTGJ-UHFFFAOYSA-N 2 2 402.542 3.861 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000435787705 981031370 /nfs/dbraw/zinc/03/13/70/981031370.db2.gz QDFWRNPAYQAAJP-UHFFFAOYSA-N 2 2 402.542 3.972 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000436296801 981287423 /nfs/dbraw/zinc/28/74/23/981287423.db2.gz SSRLIWLFFPLLIJ-UHFFFAOYSA-N 2 2 409.559 3.513 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000436337813 981309455 /nfs/dbraw/zinc/30/94/55/981309455.db2.gz WVODOKBMNNCUBC-HXUWFJFHSA-N 2 2 411.550 3.881 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000436337813 981309462 /nfs/dbraw/zinc/30/94/62/981309462.db2.gz WVODOKBMNNCUBC-HXUWFJFHSA-N 2 2 411.550 3.881 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000448372252 981731153 /nfs/dbraw/zinc/73/11/53/981731153.db2.gz CBPXNMRZTBPFCP-NJDAHSKKSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000448372252 981731157 /nfs/dbraw/zinc/73/11/57/981731157.db2.gz CBPXNMRZTBPFCP-NJDAHSKKSA-N 2 2 416.610 3.785 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318160 982096014 /nfs/dbraw/zinc/09/60/14/982096014.db2.gz KVISOCFFKBJSOH-APWZRJJASA-N 2 2 421.467 3.510 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318160 982096027 /nfs/dbraw/zinc/09/60/27/982096027.db2.gz KVISOCFFKBJSOH-APWZRJJASA-N 2 2 421.467 3.510 20 0 HHADLP Cc1nc(-c2cccs2)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460482290 982274409 /nfs/dbraw/zinc/27/44/09/982274409.db2.gz CFVIIWVFSFNJCN-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2COc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460483036 982275188 /nfs/dbraw/zinc/27/51/88/982275188.db2.gz LKBWIAZAOQAVPD-UHFFFAOYSA-N 2 2 421.585 3.946 20 0 HHADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000437665228 982281492 /nfs/dbraw/zinc/28/14/92/982281492.db2.gz GTTLFUIGDITJKE-SFHVURJKSA-N 2 2 401.776 3.990 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCCOc2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000460499515 982288202 /nfs/dbraw/zinc/28/82/02/982288202.db2.gz OLDGDJIXLMCLJQ-UHFFFAOYSA-N 2 2 407.986 3.566 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc3ccc(Cl)cc3n2)([NH+]2CCCCC2)CC1 ZINC000437697300 982303632 /nfs/dbraw/zinc/30/36/32/982303632.db2.gz GOPYKQDKMLEXLC-UHFFFAOYSA-N 2 2 400.954 3.568 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000437912383 982458944 /nfs/dbraw/zinc/45/89/44/982458944.db2.gz DOZPQAMHFRVKLL-UHFFFAOYSA-N 2 2 403.958 3.541 20 0 HHADLP COc1ccccc1-c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438073810 982572679 /nfs/dbraw/zinc/57/26/79/982572679.db2.gz NHTYYUXLDWLGCZ-UHFFFAOYSA-N 2 2 410.562 3.852 20 0 HHADLP COc1ccccc1-c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438073810 982572687 /nfs/dbraw/zinc/57/26/87/982572687.db2.gz NHTYYUXLDWLGCZ-UHFFFAOYSA-N 2 2 410.562 3.852 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103848 982590426 /nfs/dbraw/zinc/59/04/26/982590426.db2.gz LIDWIKQQXSGCFO-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103848 982590429 /nfs/dbraw/zinc/59/04/29/982590429.db2.gz LIDWIKQQXSGCFO-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103848 982590434 /nfs/dbraw/zinc/59/04/34/982590434.db2.gz LIDWIKQQXSGCFO-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103848 982590438 /nfs/dbraw/zinc/59/04/38/982590438.db2.gz LIDWIKQQXSGCFO-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OC(F)F ZINC000438156853 982621138 /nfs/dbraw/zinc/62/11/38/982621138.db2.gz UAWUEHOJKJCJEX-UHFFFAOYSA-N 2 2 410.509 3.668 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947626 982682938 /nfs/dbraw/zinc/68/29/38/982682938.db2.gz SGJPYNOBWDAYGP-VQTJNVASSA-N 2 2 410.389 3.772 20 0 HHADLP COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000438297247 982707632 /nfs/dbraw/zinc/70/76/32/982707632.db2.gz GXRKVXCZHPJLQA-HXUWFJFHSA-N 2 2 419.953 3.531 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2CC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000438616606 982940704 /nfs/dbraw/zinc/94/07/04/982940704.db2.gz CLHVSALKCKSKTA-UHFFFAOYSA-N 2 2 412.500 3.863 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)([NH+]2CCCCC2)CC1 ZINC000461291988 982992021 /nfs/dbraw/zinc/99/20/21/982992021.db2.gz UUOCJRHPJUICKW-UHFFFAOYSA-N 2 2 416.953 3.675 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461468224 983129915 /nfs/dbraw/zinc/12/99/15/983129915.db2.gz GRWARRNBJXSEPG-QHCPKHFHSA-N 2 2 402.542 3.964 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461468224 983129918 /nfs/dbraw/zinc/12/99/18/983129918.db2.gz GRWARRNBJXSEPG-QHCPKHFHSA-N 2 2 402.542 3.964 20 0 HHADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602275 983467516 /nfs/dbraw/zinc/46/75/16/983467516.db2.gz FHACRYHJZKXNMQ-ABSDTBQOSA-N 2 2 404.580 4.215 20 0 HHADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602275 983467518 /nfs/dbraw/zinc/46/75/18/983467518.db2.gz FHACRYHJZKXNMQ-ABSDTBQOSA-N 2 2 404.580 4.215 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000440815787 983918770 /nfs/dbraw/zinc/91/87/70/983918770.db2.gz ABWGHLFKGQDEPJ-SFTDATJTSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000441370156 984213439 /nfs/dbraw/zinc/21/34/39/984213439.db2.gz GQWCQNDFNHLPFJ-WIYYLYMNSA-N 2 2 420.513 3.629 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395066 984228861 /nfs/dbraw/zinc/22/88/61/984228861.db2.gz QNSVBCIRVOOYLP-URXFXBBRSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395066 984228869 /nfs/dbraw/zinc/22/88/69/984228869.db2.gz QNSVBCIRVOOYLP-URXFXBBRSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395066 984228874 /nfs/dbraw/zinc/22/88/74/984228874.db2.gz QNSVBCIRVOOYLP-URXFXBBRSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395066 984228875 /nfs/dbraw/zinc/22/88/75/984228875.db2.gz QNSVBCIRVOOYLP-URXFXBBRSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441421676 984242633 /nfs/dbraw/zinc/24/26/33/984242633.db2.gz YSTXEXBVEHKUCC-CAOCKLPOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441421676 984242639 /nfs/dbraw/zinc/24/26/39/984242639.db2.gz YSTXEXBVEHKUCC-CAOCKLPOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441421676 984242641 /nfs/dbraw/zinc/24/26/41/984242641.db2.gz YSTXEXBVEHKUCC-CAOCKLPOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441421676 984242643 /nfs/dbraw/zinc/24/26/43/984242643.db2.gz YSTXEXBVEHKUCC-CAOCKLPOSA-N 2 2 403.570 3.993 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000441751865 984430220 /nfs/dbraw/zinc/43/02/20/984430220.db2.gz KOQHMHHZOKFJAU-HXUWFJFHSA-N 2 2 424.589 3.928 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000441751865 984430223 /nfs/dbraw/zinc/43/02/23/984430223.db2.gz KOQHMHHZOKFJAU-HXUWFJFHSA-N 2 2 424.589 3.928 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000442238818 984759867 /nfs/dbraw/zinc/75/98/67/984759867.db2.gz BJPQDSNPUDRQQJ-FYYLOGMGSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000442238829 984760013 /nfs/dbraw/zinc/76/00/13/984760013.db2.gz BJPQDSNPUDRQQJ-JTHBVZDNSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(C)c1 ZINC000442248176 984769795 /nfs/dbraw/zinc/76/97/95/984769795.db2.gz XYZLTLAPXHROIE-GGAORHGYSA-N 2 2 409.578 3.901 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462196323 985178824 /nfs/dbraw/zinc/17/88/24/985178824.db2.gz PLUYGUNKOMSGOO-VWNXMTODSA-N 2 2 412.622 3.804 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000462212625 985193001 /nfs/dbraw/zinc/19/30/01/985193001.db2.gz UZJCDRVRKSRJEJ-SFHVURJKSA-N 2 2 404.624 3.791 20 0 HHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000443016046 985338359 /nfs/dbraw/zinc/33/83/59/985338359.db2.gz UXLKHNHQMJZCRK-UHFFFAOYSA-N 2 2 405.464 3.691 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000462522056 985472418 /nfs/dbraw/zinc/47/24/18/985472418.db2.gz QLWXVTBKSAMHKE-IBGZPJMESA-N 2 2 412.603 3.585 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000462522056 985472422 /nfs/dbraw/zinc/47/24/22/985472422.db2.gz QLWXVTBKSAMHKE-IBGZPJMESA-N 2 2 412.603 3.585 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000462524772 985474826 /nfs/dbraw/zinc/47/48/26/985474826.db2.gz JUIUTCQQVFEWLI-LJQANCHMSA-N 2 2 412.603 3.932 20 0 HHADLP Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)n1 ZINC000443321664 985492867 /nfs/dbraw/zinc/49/28/67/985492867.db2.gz RCJCRBBXKDJRDE-INIZCTEOSA-N 2 2 402.296 3.923 20 0 HHADLP Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)n1 ZINC000443321664 985492871 /nfs/dbraw/zinc/49/28/71/985492871.db2.gz RCJCRBBXKDJRDE-INIZCTEOSA-N 2 2 402.296 3.923 20 0 HHADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000443570271 985744975 /nfs/dbraw/zinc/74/49/75/985744975.db2.gz ZWVJXMSXHITJNE-ZWKOTPCHSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000443570271 985744986 /nfs/dbraw/zinc/74/49/86/985744986.db2.gz ZWVJXMSXHITJNE-ZWKOTPCHSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000443570271 985745003 /nfs/dbraw/zinc/74/50/03/985745003.db2.gz ZWVJXMSXHITJNE-ZWKOTPCHSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000443570271 985745013 /nfs/dbraw/zinc/74/50/13/985745013.db2.gz ZWVJXMSXHITJNE-ZWKOTPCHSA-N 2 2 419.013 3.650 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2)CC1 ZINC000468138169 985806002 /nfs/dbraw/zinc/80/60/02/985806002.db2.gz KVAQAELQIDIYRL-QFIPXVFZSA-N 2 2 414.981 3.515 20 0 HHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462893218 985820824 /nfs/dbraw/zinc/82/08/24/985820824.db2.gz CQYSYQOVYBOAPH-INIZCTEOSA-N 2 2 411.550 3.947 20 0 HHADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468156886 985832022 /nfs/dbraw/zinc/83/20/22/985832022.db2.gz ZXNHSDRJPCORNF-NRFANRHFSA-N 2 2 408.537 3.520 20 0 HHADLP C[C@H](c1ccccc1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000462905807 985836160 /nfs/dbraw/zinc/83/61/60/985836160.db2.gz FAGTZMMWBDOPNW-OAQYLSRUSA-N 2 2 401.558 3.992 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000462905807 985836174 /nfs/dbraw/zinc/83/61/74/985836174.db2.gz FAGTZMMWBDOPNW-OAQYLSRUSA-N 2 2 401.558 3.992 20 0 HHADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468253894 985953375 /nfs/dbraw/zinc/95/33/75/985953375.db2.gz RJIGRLPEBJTCFO-FCHUYYIVSA-N 2 2 408.933 3.569 20 0 HHADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468253894 985953389 /nfs/dbraw/zinc/95/33/89/985953389.db2.gz RJIGRLPEBJTCFO-FCHUYYIVSA-N 2 2 408.933 3.569 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463031106 985990328 /nfs/dbraw/zinc/99/03/28/985990328.db2.gz UZXATTONJKVECS-LJQANCHMSA-N 2 2 410.562 3.648 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000463031104 985990468 /nfs/dbraw/zinc/99/04/68/985990468.db2.gz UZXATTONJKVECS-IBGZPJMESA-N 2 2 410.562 3.648 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000463133848 986100583 /nfs/dbraw/zinc/10/05/83/986100583.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000463133848 986100591 /nfs/dbraw/zinc/10/05/91/986100591.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133848 986100599 /nfs/dbraw/zinc/10/05/99/986100599.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133848 986100607 /nfs/dbraw/zinc/10/06/07/986100607.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 2 2 411.590 3.949 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)cn2)n1 ZINC000463136019 986103447 /nfs/dbraw/zinc/10/34/47/986103447.db2.gz GZARDQDNXWOTDU-UHFFFAOYSA-N 2 2 407.537 3.820 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468413353 986112633 /nfs/dbraw/zinc/11/26/33/986112633.db2.gz UVAWXXQEQMENQB-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468413353 986112636 /nfs/dbraw/zinc/11/26/36/986112636.db2.gz UVAWXXQEQMENQB-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000463209176 986180064 /nfs/dbraw/zinc/18/00/64/986180064.db2.gz AIYSNPXFPHUXHI-GOSISDBHSA-N 2 2 400.592 3.788 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000463209176 986180068 /nfs/dbraw/zinc/18/00/68/986180068.db2.gz AIYSNPXFPHUXHI-GOSISDBHSA-N 2 2 400.592 3.788 20 0 HHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1Br ZINC000463252867 986220611 /nfs/dbraw/zinc/22/06/11/986220611.db2.gz XAWPHYWVBZFTPZ-AWEZNQCLSA-N 2 2 423.317 3.607 20 0 HHADLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000444137713 986327436 /nfs/dbraw/zinc/32/74/36/986327436.db2.gz FKSDBAIAIZHSPE-UHFFFAOYSA-N 2 2 405.546 3.537 20 0 HHADLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000444137713 986327442 /nfs/dbraw/zinc/32/74/42/986327442.db2.gz FKSDBAIAIZHSPE-UHFFFAOYSA-N 2 2 405.546 3.537 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000444207717 986388307 /nfs/dbraw/zinc/38/83/07/986388307.db2.gz WDUIFFKFJMZFST-QFIPXVFZSA-N 2 2 409.578 3.885 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000444345517 986527010 /nfs/dbraw/zinc/52/70/10/986527010.db2.gz RUQFOSCZNZYTHN-SFHVURJKSA-N 2 2 403.530 3.599 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000444345517 986527018 /nfs/dbraw/zinc/52/70/18/986527018.db2.gz RUQFOSCZNZYTHN-SFHVURJKSA-N 2 2 403.530 3.599 20 0 HHADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463698935 986682753 /nfs/dbraw/zinc/68/27/53/986682753.db2.gz PAABGMVZOJBSRY-GOSISDBHSA-N 2 2 423.561 3.603 20 0 HHADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463698935 986682762 /nfs/dbraw/zinc/68/27/62/986682762.db2.gz PAABGMVZOJBSRY-GOSISDBHSA-N 2 2 423.561 3.603 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000444591997 986779032 /nfs/dbraw/zinc/77/90/32/986779032.db2.gz FLMJUNHDNOKYCT-SFHVURJKSA-N 2 2 423.586 3.873 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469102699 986818790 /nfs/dbraw/zinc/81/87/90/986818790.db2.gz PSCPYVBIQFZSKK-HSZRJFAPSA-N 2 2 411.977 3.943 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469102699 986818800 /nfs/dbraw/zinc/81/88/00/986818800.db2.gz PSCPYVBIQFZSKK-HSZRJFAPSA-N 2 2 411.977 3.943 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690517 986868204 /nfs/dbraw/zinc/86/82/04/986868204.db2.gz TVFNBRNZSHAIIN-MAUKXSAKSA-N 2 2 417.903 3.867 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690517 986868218 /nfs/dbraw/zinc/86/82/18/986868218.db2.gz TVFNBRNZSHAIIN-MAUKXSAKSA-N 2 2 417.903 3.867 20 0 HHADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1 ZINC000444747133 986911018 /nfs/dbraw/zinc/91/10/18/986911018.db2.gz HZHMDBDUTSSPKS-KKSFZXQISA-N 2 2 401.938 3.650 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469218211 986941183 /nfs/dbraw/zinc/94/11/83/986941183.db2.gz GWZAZCHUPMWANB-CVDCTZTESA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469218211 986941188 /nfs/dbraw/zinc/94/11/88/986941188.db2.gz GWZAZCHUPMWANB-CVDCTZTESA-N 2 2 408.546 3.676 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000444790553 986946523 /nfs/dbraw/zinc/94/65/23/986946523.db2.gz IQEKCHFIKCJRSG-AWEZNQCLSA-N 2 2 402.296 3.612 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000444790553 986946530 /nfs/dbraw/zinc/94/65/30/986946530.db2.gz IQEKCHFIKCJRSG-AWEZNQCLSA-N 2 2 402.296 3.612 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Oc4ccccn4)cc3)CC2)CC1 ZINC000444862912 987019789 /nfs/dbraw/zinc/01/97/89/987019789.db2.gz DLQIKYVPEJYLPU-UHFFFAOYSA-N 2 2 409.534 3.554 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000469423890 987111327 /nfs/dbraw/zinc/11/13/27/987111327.db2.gz GNNLUEIXFXIGIA-XMMPIXPASA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000469423890 987111332 /nfs/dbraw/zinc/11/13/32/987111332.db2.gz GNNLUEIXFXIGIA-XMMPIXPASA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000445056444 987182191 /nfs/dbraw/zinc/18/21/91/987182191.db2.gz RSNKYYTUNFBWNX-UHFFFAOYSA-N 2 2 408.974 3.807 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000445214010 987281452 /nfs/dbraw/zinc/28/14/52/987281452.db2.gz AMTALFLGGZLAGT-HJNYFJLDSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000445214010 987281462 /nfs/dbraw/zinc/28/14/62/987281462.db2.gz AMTALFLGGZLAGT-HJNYFJLDSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469684029 987341554 /nfs/dbraw/zinc/34/15/54/987341554.db2.gz ZFRZNCVFSFMBAP-RXVVDRJESA-N 2 2 413.591 3.589 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469736565 987387703 /nfs/dbraw/zinc/38/77/03/987387703.db2.gz MMSORVYORJJNLI-ZWDAVXSWSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469736565 987387706 /nfs/dbraw/zinc/38/77/06/987387706.db2.gz MMSORVYORJJNLI-ZWDAVXSWSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469754294 987406826 /nfs/dbraw/zinc/40/68/26/987406826.db2.gz XUWVRLAQKPAYCH-JDMFINLCSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469754294 987406830 /nfs/dbraw/zinc/40/68/30/987406830.db2.gz XUWVRLAQKPAYCH-JDMFINLCSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469755504 987408385 /nfs/dbraw/zinc/40/83/85/987408385.db2.gz AUJMGZJPQOMNKI-GOSISDBHSA-N 2 2 423.948 3.525 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000469761326 987415062 /nfs/dbraw/zinc/41/50/62/987415062.db2.gz AXIOLKVTXZHVQD-PTUXOGIPSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000469761326 987415064 /nfs/dbraw/zinc/41/50/64/987415064.db2.gz AXIOLKVTXZHVQD-PTUXOGIPSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1)c1ccccc1 ZINC000469762535 987415844 /nfs/dbraw/zinc/41/58/44/987415844.db2.gz CYZNKTVXBXTFDG-KNQAVFIVSA-N 2 2 408.546 3.908 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000469769526 987421395 /nfs/dbraw/zinc/42/13/95/987421395.db2.gz PPOPTWCNRJJCNY-OFNKIYASSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000469775263 987425196 /nfs/dbraw/zinc/42/51/96/987425196.db2.gz JXNMTNZWUCRVNP-AUSIDOKSSA-N 2 2 421.545 3.901 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000469775263 987425197 /nfs/dbraw/zinc/42/51/97/987425197.db2.gz JXNMTNZWUCRVNP-AUSIDOKSSA-N 2 2 421.545 3.901 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000469791692 987436120 /nfs/dbraw/zinc/43/61/20/987436120.db2.gz QKEOLHWFPIDNBG-OALUTQOASA-N 2 2 418.578 3.736 20 0 HHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314084 988443542 /nfs/dbraw/zinc/44/35/42/988443542.db2.gz BDZNIZKLIICYTQ-HJOGWXRNSA-N 2 2 415.622 3.984 20 0 HHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314084 988443548 /nfs/dbraw/zinc/44/35/48/988443548.db2.gz BDZNIZKLIICYTQ-HJOGWXRNSA-N 2 2 415.622 3.984 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC000470470832 988459220 /nfs/dbraw/zinc/45/92/20/988459220.db2.gz QBITXIIOIJSAIH-FQEVSTJZSA-N 2 2 404.599 3.592 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000470598484 988614937 /nfs/dbraw/zinc/61/49/37/988614937.db2.gz JTJLOCCFIADVBX-IBGZPJMESA-N 2 2 402.420 3.924 20 0 HHADLP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470733961 988767936 /nfs/dbraw/zinc/76/79/36/988767936.db2.gz VKISCCSYUSOGQV-JOCHJYFZSA-N 2 2 403.530 3.678 20 0 HHADLP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470733961 988767939 /nfs/dbraw/zinc/76/79/39/988767939.db2.gz VKISCCSYUSOGQV-JOCHJYFZSA-N 2 2 403.530 3.678 20 0 HHADLP C[N@H+](CCCc1nc(-c2ccccc2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471178265 989308006 /nfs/dbraw/zinc/30/80/06/989308006.db2.gz NDKHHJOGJLBCMV-UHFFFAOYSA-N 2 2 405.546 3.703 20 0 HHADLP C[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471178265 989308016 /nfs/dbraw/zinc/30/80/16/989308016.db2.gz NDKHHJOGJLBCMV-UHFFFAOYSA-N 2 2 405.546 3.703 20 0 HHADLP C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000471236716 989383330 /nfs/dbraw/zinc/38/33/30/989383330.db2.gz ZIWVZYIZSAPRDF-UHFFFAOYSA-N 2 2 403.530 3.903 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000465457121 989797324 /nfs/dbraw/zinc/79/73/24/989797324.db2.gz VKPPMWDDTPUUDJ-UHFFFAOYSA-N 2 2 401.599 3.594 20 0 HHADLP CCCCOc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000465526958 989884673 /nfs/dbraw/zinc/88/46/73/989884673.db2.gz ZBWIBLYMCSJNGQ-UHFFFAOYSA-N 2 2 416.610 3.615 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465533989 989895544 /nfs/dbraw/zinc/89/55/44/989895544.db2.gz MZJHAQUTLGEDJG-JOCHJYFZSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000465579762 989950715 /nfs/dbraw/zinc/95/07/15/989950715.db2.gz RFQJKYZLWOVDHU-QHCPKHFHSA-N 2 2 421.589 3.735 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000465579762 989950719 /nfs/dbraw/zinc/95/07/19/989950719.db2.gz RFQJKYZLWOVDHU-QHCPKHFHSA-N 2 2 421.589 3.735 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000465598637 989979587 /nfs/dbraw/zinc/97/95/87/989979587.db2.gz LGXQBWMREPFPAP-KRWDZBQOSA-N 2 2 424.536 3.599 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCc3c2cccc3Cl)([NH+]2CCCCC2)CC1 ZINC000465762284 990147864 /nfs/dbraw/zinc/14/78/64/990147864.db2.gz YORSOJDIPORFSE-FQEVSTJZSA-N 2 2 404.986 3.577 20 0 HHADLP CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465804934 990187032 /nfs/dbraw/zinc/18/70/32/990187032.db2.gz BMZVLRYCNUMYPY-QHCPKHFHSA-N 2 2 418.601 3.593 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472048982 990216188 /nfs/dbraw/zinc/21/61/88/990216188.db2.gz OIGLFJAMLRYIND-UXHICEINSA-N 2 2 410.965 3.742 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472048982 990216189 /nfs/dbraw/zinc/21/61/89/990216189.db2.gz OIGLFJAMLRYIND-UXHICEINSA-N 2 2 410.965 3.742 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC000465879500 990997622 /nfs/dbraw/zinc/99/76/22/990997622.db2.gz QMUCCPUDLBOFQB-ATZDWAIDSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC000465879500 990997630 /nfs/dbraw/zinc/99/76/30/990997630.db2.gz QMUCCPUDLBOFQB-ATZDWAIDSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879500 990997641 /nfs/dbraw/zinc/99/76/41/990997641.db2.gz QMUCCPUDLBOFQB-ATZDWAIDSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879500 990997655 /nfs/dbraw/zinc/99/76/55/990997655.db2.gz QMUCCPUDLBOFQB-ATZDWAIDSA-N 2 2 410.965 3.568 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000465907504 991037151 /nfs/dbraw/zinc/03/71/51/991037151.db2.gz SQLZPZHYFJNKSU-BGYRXZFFSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000465907504 991037160 /nfs/dbraw/zinc/03/71/60/991037160.db2.gz SQLZPZHYFJNKSU-BGYRXZFFSA-N 2 2 401.599 3.592 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000465941001 991079871 /nfs/dbraw/zinc/07/98/71/991079871.db2.gz PNFORKSSDKCSNO-HXUWFJFHSA-N 2 2 400.611 3.602 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)[nH+]c1 ZINC000465951483 991091391 /nfs/dbraw/zinc/09/13/91/991091391.db2.gz FYPFLFBGXRTKSX-UHFFFAOYSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)[nH+]c1 ZINC000465951483 991091399 /nfs/dbraw/zinc/09/13/99/991091399.db2.gz FYPFLFBGXRTKSX-UHFFFAOYSA-N 2 2 421.589 3.665 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466015993 991181555 /nfs/dbraw/zinc/18/15/55/991181555.db2.gz KGNBONPFNWDKQQ-JOCHJYFZSA-N 2 2 403.530 3.536 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466015993 991181564 /nfs/dbraw/zinc/18/15/64/991181564.db2.gz KGNBONPFNWDKQQ-JOCHJYFZSA-N 2 2 403.530 3.536 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1cccs1 ZINC000466074818 991247672 /nfs/dbraw/zinc/24/76/72/991247672.db2.gz GWRWYJPGOGSCOG-FXAWDEMLSA-N 2 2 418.632 3.720 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1cccs1 ZINC000466074818 991247684 /nfs/dbraw/zinc/24/76/84/991247684.db2.gz GWRWYJPGOGSCOG-FXAWDEMLSA-N 2 2 418.632 3.720 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(OC(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000466134655 991314296 /nfs/dbraw/zinc/31/42/96/991314296.db2.gz AWTJKBMUXAMGEZ-UHFFFAOYSA-N 2 2 402.583 3.936 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@](C)(c3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000466149250 991332761 /nfs/dbraw/zinc/33/27/61/991332761.db2.gz VVRWLIDMIROFOG-XMMPIXPASA-N 2 2 412.622 3.700 20 0 HHADLP CCCOc1cc(C)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466149104 991333091 /nfs/dbraw/zinc/33/30/91/991333091.db2.gz SZLZVROJLMVMAO-UHFFFAOYSA-N 2 2 402.583 3.856 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000466151594 991336848 /nfs/dbraw/zinc/33/68/48/991336848.db2.gz AXQAHRGUHGCFBU-UHFFFAOYSA-N 2 2 409.372 3.521 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2CCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466154676 991340479 /nfs/dbraw/zinc/34/04/79/991340479.db2.gz QJZUSWZYRFNXQB-HSZRJFAPSA-N 2 2 412.622 3.744 20 0 HHADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1Br ZINC000466154947 991340795 /nfs/dbraw/zinc/34/07/95/991340795.db2.gz SSEIGGWMZJCVCI-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP Cc1cc(C)n(-c2ccccc2NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000466155951 991342954 /nfs/dbraw/zinc/34/29/54/991342954.db2.gz ZDSIZAYHYUZUGB-UHFFFAOYSA-N 2 2 424.593 3.561 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2(c3cccc(Cl)c3)CC2)([NH+]2CCCCC2)CC1 ZINC000466155777 991343042 /nfs/dbraw/zinc/34/30/42/991343042.db2.gz YKNGSSPPEWLEIW-UHFFFAOYSA-N 2 2 404.986 3.579 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000466301019 991552657 /nfs/dbraw/zinc/55/26/57/991552657.db2.gz XSWNUDKMJWSMSM-WOIUINJBSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000466301019 991552669 /nfs/dbraw/zinc/55/26/69/991552669.db2.gz XSWNUDKMJWSMSM-WOIUINJBSA-N 2 2 414.594 3.682 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821290 992129477 /nfs/dbraw/zinc/12/94/77/992129477.db2.gz GMEUXPQKJQUKGO-HYBUGGRVSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821290 992129489 /nfs/dbraw/zinc/12/94/89/992129489.db2.gz GMEUXPQKJQUKGO-HYBUGGRVSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821290 992129496 /nfs/dbraw/zinc/12/94/96/992129496.db2.gz GMEUXPQKJQUKGO-HYBUGGRVSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821290 992129506 /nfs/dbraw/zinc/12/95/06/992129506.db2.gz GMEUXPQKJQUKGO-HYBUGGRVSA-N 2 2 405.546 3.870 20 0 HHADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000466857896 992176549 /nfs/dbraw/zinc/17/65/49/992176549.db2.gz NDTBOCYOBZEJFW-ZEQRLZLVSA-N 2 2 417.557 3.715 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467157140 992475114 /nfs/dbraw/zinc/47/51/14/992475114.db2.gz FAIVJTAEBWWTHZ-HNNXBMFYSA-N 2 2 423.542 3.930 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000467170310 992489530 /nfs/dbraw/zinc/48/95/30/992489530.db2.gz HIVKPKTYKCBWQT-HNNXBMFYSA-N 2 2 422.570 3.585 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000467202779 992528188 /nfs/dbraw/zinc/52/81/88/992528188.db2.gz UBPHOIBCUOAHMX-HXUWFJFHSA-N 2 2 422.411 3.967 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000467205804 992530921 /nfs/dbraw/zinc/53/09/21/992530921.db2.gz IBSKZWGVFWYPRD-SFHVURJKSA-N 2 2 407.986 3.861 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209535 992533819 /nfs/dbraw/zinc/53/38/19/992533819.db2.gz XHBMMDTYNNTBDD-OAHLLOKOSA-N 2 2 414.377 3.897 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404813 992712058 /nfs/dbraw/zinc/71/20/58/992712058.db2.gz DASXQBRFJICYNQ-AVRDEDQJSA-N 2 2 414.981 3.572 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404813 992712066 /nfs/dbraw/zinc/71/20/66/992712066.db2.gz DASXQBRFJICYNQ-AVRDEDQJSA-N 2 2 414.981 3.572 20 0 HHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000472146802 993201644 /nfs/dbraw/zinc/20/16/44/993201644.db2.gz BRXMONDQKMBPJJ-GOSISDBHSA-N 2 2 402.498 3.817 20 0 HHADLP Cc1ccccc1-c1nc(CN(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000472571433 993540879 /nfs/dbraw/zinc/54/08/79/993540879.db2.gz UDVNMADPEXTTJP-UHFFFAOYSA-N 2 2 411.594 3.673 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000480782856 993649548 /nfs/dbraw/zinc/64/95/48/993649548.db2.gz VFQWTAQTJLCJPA-GOSISDBHSA-N 2 2 407.345 3.787 20 0 HHADLP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480914464 993770609 /nfs/dbraw/zinc/77/06/09/993770609.db2.gz WVMPUUNZEQNDTK-OAHLLOKOSA-N 2 2 413.319 3.715 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189286 994021172 /nfs/dbraw/zinc/02/11/72/994021172.db2.gz MAXVRWZFSWIUGJ-OXQOHEQNSA-N 2 2 403.473 3.727 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190828 994023507 /nfs/dbraw/zinc/02/35/07/994023507.db2.gz PEZBVRNTGICDIR-QTEQDKRBSA-N 2 2 422.573 3.840 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190828 994023516 /nfs/dbraw/zinc/02/35/16/994023516.db2.gz PEZBVRNTGICDIR-QTEQDKRBSA-N 2 2 422.573 3.840 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191679 994025149 /nfs/dbraw/zinc/02/51/49/994025149.db2.gz REDMBYJECMQABW-SKPFHBQLSA-N 2 2 418.585 3.715 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191679 994025159 /nfs/dbraw/zinc/02/51/59/994025159.db2.gz REDMBYJECMQABW-SKPFHBQLSA-N 2 2 418.585 3.715 20 0 HHADLP Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481309654 994127903 /nfs/dbraw/zinc/12/79/03/994127903.db2.gz IEJBNWVEEMLMGE-FQEVSTJZSA-N 2 2 417.347 3.895 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000481312572 994129723 /nfs/dbraw/zinc/12/97/23/994129723.db2.gz MDWBNUMVTXEMPH-QGZVFWFLSA-N 2 2 411.937 3.604 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423695 /nfs/dbraw/zinc/42/36/95/994423695.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423703 /nfs/dbraw/zinc/42/37/03/994423703.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423712 /nfs/dbraw/zinc/42/37/12/994423712.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423723 /nfs/dbraw/zinc/42/37/23/994423723.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423731 /nfs/dbraw/zinc/42/37/31/994423731.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 2 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423741 /nfs/dbraw/zinc/42/37/41/994423741.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 2 2 407.602 3.908 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000481584937 994426800 /nfs/dbraw/zinc/42/68/00/994426800.db2.gz UQGPAIZJDWRZLL-OAHLLOKOSA-N 2 2 402.495 3.624 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000481584935 994427383 /nfs/dbraw/zinc/42/73/83/994427383.db2.gz UQGPAIZJDWRZLL-HNNXBMFYSA-N 2 2 402.495 3.624 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481641395 994507151 /nfs/dbraw/zinc/50/71/51/994507151.db2.gz VALRYSGUDDSXLY-MOPGFXCFSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481641395 994507161 /nfs/dbraw/zinc/50/71/61/994507161.db2.gz VALRYSGUDDSXLY-MOPGFXCFSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718496 994578977 /nfs/dbraw/zinc/57/89/77/994578977.db2.gz PZDDKWCLEZIIGB-QFQXNSOFSA-N 3 2 422.617 3.802 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CC2)cc1 ZINC000481718496 994578984 /nfs/dbraw/zinc/57/89/84/994578984.db2.gz PZDDKWCLEZIIGB-QFQXNSOFSA-N 3 2 422.617 3.802 20 0 HHADLP CCCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000473727946 994623369 /nfs/dbraw/zinc/62/33/69/994623369.db2.gz AKFNTMAOXPDPLH-UHFFFAOYSA-N 2 2 407.986 3.807 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482020466 994932318 /nfs/dbraw/zinc/93/23/18/994932318.db2.gz YOZKYQSTIMJOSC-FXAWDEMLSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482020466 994932328 /nfs/dbraw/zinc/93/23/28/994932328.db2.gz YOZKYQSTIMJOSC-FXAWDEMLSA-N 2 2 414.619 3.636 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030915 994947046 /nfs/dbraw/zinc/94/70/46/994947046.db2.gz HZTBTCBJMZYBCN-GOTSBHOMSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030915 994947059 /nfs/dbraw/zinc/94/70/59/994947059.db2.gz HZTBTCBJMZYBCN-GOTSBHOMSA-N 2 2 415.528 3.781 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032276 994949252 /nfs/dbraw/zinc/94/92/52/994949252.db2.gz OIYKWTAZKIPDAM-HYBUGGRVSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032276 994949264 /nfs/dbraw/zinc/94/92/64/994949264.db2.gz OIYKWTAZKIPDAM-HYBUGGRVSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035948 994954698 /nfs/dbraw/zinc/95/46/98/994954698.db2.gz VDGVJPGVYPHLPB-CRAIPNDOSA-N 2 2 417.541 3.934 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035948 994954712 /nfs/dbraw/zinc/95/47/12/994954712.db2.gz VDGVJPGVYPHLPB-CRAIPNDOSA-N 2 2 417.541 3.934 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482038701 994957982 /nfs/dbraw/zinc/95/79/82/994957982.db2.gz ZKZIQKOHUHTRCJ-HNAYVOBHSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482038701 994957991 /nfs/dbraw/zinc/95/79/91/994957991.db2.gz ZKZIQKOHUHTRCJ-HNAYVOBHSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482049900 994974784 /nfs/dbraw/zinc/97/47/84/994974784.db2.gz PSAJRKVSINMCTC-DNVCBOLYSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482049900 994974795 /nfs/dbraw/zinc/97/47/95/994974795.db2.gz PSAJRKVSINMCTC-DNVCBOLYSA-N 2 2 418.582 3.851 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000482122110 995070465 /nfs/dbraw/zinc/07/04/65/995070465.db2.gz SMTKXLFIJLUHOD-GOSISDBHSA-N 2 2 419.356 3.704 20 0 HHADLP O=C1[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000474098836 995080651 /nfs/dbraw/zinc/08/06/51/995080651.db2.gz OMKDZYAWCVHHNN-KRWDZBQOSA-N 2 2 405.329 3.752 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000482139809 995090183 /nfs/dbraw/zinc/09/01/83/995090183.db2.gz GTJPEWUIRUFDQK-BQFCYCMXSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000482139809 995090199 /nfs/dbraw/zinc/09/01/99/995090199.db2.gz GTJPEWUIRUFDQK-BQFCYCMXSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000482144237 995094815 /nfs/dbraw/zinc/09/48/15/995094815.db2.gz PZTGAFQTDJAORI-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000482144237 995094825 /nfs/dbraw/zinc/09/48/25/995094825.db2.gz PZTGAFQTDJAORI-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](C)C1 ZINC000482149373 995100661 /nfs/dbraw/zinc/10/06/61/995100661.db2.gz IYUQTHVXLFJFQT-XMSQKQJNSA-N 2 2 414.569 3.727 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](C)C1 ZINC000482149373 995100666 /nfs/dbraw/zinc/10/06/66/995100666.db2.gz IYUQTHVXLFJFQT-XMSQKQJNSA-N 2 2 414.569 3.727 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1cccc(OC)c1 ZINC000474432770 995394828 /nfs/dbraw/zinc/39/48/28/995394828.db2.gz LDGVFIGSVIZWEA-PGRDOPGGSA-N 2 2 412.578 3.846 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1cccc(OC)c1 ZINC000474432770 995394835 /nfs/dbraw/zinc/39/48/35/995394835.db2.gz LDGVFIGSVIZWEA-PGRDOPGGSA-N 2 2 412.578 3.846 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474613461 995566275 /nfs/dbraw/zinc/56/62/75/995566275.db2.gz SCHAFOLPTUCTFX-ZWKOTPCHSA-N 2 2 423.586 3.512 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474644039 995589011 /nfs/dbraw/zinc/58/90/11/995589011.db2.gz KKIYODUUQUVGKD-PBPAMDPTSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474644039 995589022 /nfs/dbraw/zinc/58/90/22/995589022.db2.gz KKIYODUUQUVGKD-PBPAMDPTSA-N 2 2 424.511 3.555 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2cncn2)cc1 ZINC000482628029 995622972 /nfs/dbraw/zinc/62/29/72/995622972.db2.gz IISUMBCBUJYGAO-IBGZPJMESA-N 2 2 424.980 3.784 20 0 HHADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000482729335 995712130 /nfs/dbraw/zinc/71/21/30/995712130.db2.gz KDXHVSNFHOJUGO-IBGZPJMESA-N 2 2 414.421 3.701 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973022 995837025 /nfs/dbraw/zinc/83/70/25/995837025.db2.gz MNOMRGQAWSEJLZ-KBXCAEBGSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973022 995837046 /nfs/dbraw/zinc/83/70/46/995837046.db2.gz MNOMRGQAWSEJLZ-KBXCAEBGSA-N 2 2 407.345 3.787 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2(Cc3cccc(F)c3)CCC2)([NH+]2CCCCC2)CC1 ZINC000483103176 995976021 /nfs/dbraw/zinc/97/60/21/995976021.db2.gz YALHUJGLDSFQJC-UHFFFAOYSA-N 2 2 416.585 3.540 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483118800 995986827 /nfs/dbraw/zinc/98/68/27/995986827.db2.gz LARHHFBKTFTEHY-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483118800 995986835 /nfs/dbraw/zinc/98/68/35/995986835.db2.gz LARHHFBKTFTEHY-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120595 995988020 /nfs/dbraw/zinc/98/80/20/995988020.db2.gz OULUTYSIZIYEOD-SFHVURJKSA-N 2 2 405.583 3.595 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225396 996009035 /nfs/dbraw/zinc/00/90/35/996009035.db2.gz VGQCNKCCGODCNK-DFQSSKMNSA-N 2 2 404.601 3.542 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000475225396 996009039 /nfs/dbraw/zinc/00/90/39/996009039.db2.gz VGQCNKCCGODCNK-DFQSSKMNSA-N 2 2 404.601 3.542 20 0 HHADLP COc1cc(Br)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000475273195 996038650 /nfs/dbraw/zinc/03/86/50/996038650.db2.gz DNQCDWIJDAVQLF-MRXNPFEDSA-N 2 2 405.336 3.775 20 0 HHADLP COc1cc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475273195 996038651 /nfs/dbraw/zinc/03/86/51/996038651.db2.gz DNQCDWIJDAVQLF-MRXNPFEDSA-N 2 2 405.336 3.775 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000475313147 996063113 /nfs/dbraw/zinc/06/31/13/996063113.db2.gz CJOZMYMVNBHOFK-IBGZPJMESA-N 2 2 421.589 3.667 20 0 HHADLP C[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000483267033 996071187 /nfs/dbraw/zinc/07/11/87/996071187.db2.gz WVWLBBXUCKMAII-NFBKMPQASA-N 2 2 408.590 3.544 20 0 HHADLP COCCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475329190 996072724 /nfs/dbraw/zinc/07/27/24/996072724.db2.gz BEODGYMZOGIYEX-UHFFFAOYSA-N 2 2 416.484 3.615 20 0 HHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000475332676 996074860 /nfs/dbraw/zinc/07/48/60/996074860.db2.gz BBCHQGXDSCCZTG-UHFFFAOYSA-N 2 2 413.875 3.816 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475067 996203740 /nfs/dbraw/zinc/20/37/40/996203740.db2.gz OGBRJWYQGHNHQZ-ZCYQVOJMSA-N 2 2 405.586 3.741 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475067 996203745 /nfs/dbraw/zinc/20/37/45/996203745.db2.gz OGBRJWYQGHNHQZ-ZCYQVOJMSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475067 996203750 /nfs/dbraw/zinc/20/37/50/996203750.db2.gz OGBRJWYQGHNHQZ-ZCYQVOJMSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475067 996203755 /nfs/dbraw/zinc/20/37/55/996203755.db2.gz OGBRJWYQGHNHQZ-ZCYQVOJMSA-N 2 2 405.586 3.741 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483555541 996247856 /nfs/dbraw/zinc/24/78/56/996247856.db2.gz SRDMIFRWLRKPEW-UPVQGACJSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555541 996247857 /nfs/dbraw/zinc/24/78/57/996247857.db2.gz SRDMIFRWLRKPEW-UPVQGACJSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483563785 996252946 /nfs/dbraw/zinc/25/29/46/996252946.db2.gz BEDQOQFDNVSCSZ-LADGPHEKSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483563785 996252951 /nfs/dbraw/zinc/25/29/51/996252951.db2.gz BEDQOQFDNVSCSZ-LADGPHEKSA-N 2 2 400.526 3.999 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000483621192 996291005 /nfs/dbraw/zinc/29/10/05/996291005.db2.gz XXQVXNIQBQLOOP-GOSISDBHSA-N 2 2 400.567 3.608 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000483660450 996314073 /nfs/dbraw/zinc/31/40/73/996314073.db2.gz YXTMBNKAJHAPQU-SFHVURJKSA-N 2 2 421.545 3.738 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475820448 996392467 /nfs/dbraw/zinc/39/24/67/996392467.db2.gz VHCVOVOTDOUNGY-VQTJNVASSA-N 2 2 404.599 3.591 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475820448 996392474 /nfs/dbraw/zinc/39/24/74/996392474.db2.gz VHCVOVOTDOUNGY-VQTJNVASSA-N 2 2 404.599 3.591 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000483825511 996411528 /nfs/dbraw/zinc/41/15/28/996411528.db2.gz XWCRYZQQWCVIKC-DRSNIGMVSA-N 2 2 405.945 3.525 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000483825511 996411531 /nfs/dbraw/zinc/41/15/31/996411531.db2.gz XWCRYZQQWCVIKC-DRSNIGMVSA-N 2 2 405.945 3.525 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000475929456 996478857 /nfs/dbraw/zinc/47/88/57/996478857.db2.gz LMJGWJAKAYVXEN-UDEWTMQYSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000475929456 996478859 /nfs/dbraw/zinc/47/88/59/996478859.db2.gz LMJGWJAKAYVXEN-UDEWTMQYSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000475929456 996478860 /nfs/dbraw/zinc/47/88/60/996478860.db2.gz LMJGWJAKAYVXEN-UDEWTMQYSA-N 2 2 406.574 3.950 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000475929456 996478861 /nfs/dbraw/zinc/47/88/61/996478861.db2.gz LMJGWJAKAYVXEN-UDEWTMQYSA-N 2 2 406.574 3.950 20 0 HHADLP Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)s1 ZINC000483992019 996509883 /nfs/dbraw/zinc/50/98/83/996509883.db2.gz CVHAIFCISWSWDM-UHFFFAOYSA-N 2 2 404.543 3.816 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000484065975 996551240 /nfs/dbraw/zinc/55/12/40/996551240.db2.gz GCWZSEQBBCGBCG-GOSISDBHSA-N 2 2 404.514 3.689 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149104 996600168 /nfs/dbraw/zinc/60/01/68/996600168.db2.gz WFTVSXMRHQDGCA-CTIGNXTNSA-N 2 2 422.548 3.853 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149104 996600171 /nfs/dbraw/zinc/60/01/71/996600171.db2.gz WFTVSXMRHQDGCA-CTIGNXTNSA-N 2 2 422.548 3.853 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160365 996608210 /nfs/dbraw/zinc/60/82/10/996608210.db2.gz KRQHOXZXPOAKOO-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160365 996608213 /nfs/dbraw/zinc/60/82/13/996608213.db2.gz KRQHOXZXPOAKOO-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000484477590 996797973 /nfs/dbraw/zinc/79/79/73/996797973.db2.gz QGGMPGQXAYEVSW-LPHOPBHVSA-N 2 2 416.953 3.572 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000484477590 996797979 /nfs/dbraw/zinc/79/79/79/996797979.db2.gz QGGMPGQXAYEVSW-LPHOPBHVSA-N 2 2 416.953 3.572 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000476374850 996812675 /nfs/dbraw/zinc/81/26/75/996812675.db2.gz BJQLWXVOITWBHW-GOTSBHOMSA-N 2 2 421.520 3.812 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000484499185 996825323 /nfs/dbraw/zinc/82/53/23/996825323.db2.gz LQJLXVONHLDOBI-FGCOXFRFSA-N 2 2 409.574 3.948 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000484499185 996825330 /nfs/dbraw/zinc/82/53/30/996825330.db2.gz LQJLXVONHLDOBI-FGCOXFRFSA-N 2 2 409.574 3.948 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566556 997061903 /nfs/dbraw/zinc/06/19/03/997061903.db2.gz XALVDHPOWSVDGG-SFHVURJKSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566556 997061916 /nfs/dbraw/zinc/06/19/16/997061916.db2.gz XALVDHPOWSVDGG-SFHVURJKSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566556 997061941 /nfs/dbraw/zinc/06/19/41/997061941.db2.gz XALVDHPOWSVDGG-SFHVURJKSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566556 997061949 /nfs/dbraw/zinc/06/19/49/997061949.db2.gz XALVDHPOWSVDGG-SFHVURJKSA-N 2 2 411.512 3.860 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000485295421 997699830 /nfs/dbraw/zinc/69/98/30/997699830.db2.gz YBTGJKDNPZSZIC-QFIPXVFZSA-N 2 2 409.578 3.570 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000485441066 997881396 /nfs/dbraw/zinc/88/13/96/997881396.db2.gz XAUOXAMUQVSCGK-HXUWFJFHSA-N 2 2 401.599 3.573 20 0 HHADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266128 997942112 /nfs/dbraw/zinc/94/21/12/997942112.db2.gz NFMYVEKILCJCPD-IBGZPJMESA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266128 997942126 /nfs/dbraw/zinc/94/21/26/997942126.db2.gz NFMYVEKILCJCPD-IBGZPJMESA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266128 997942130 /nfs/dbraw/zinc/94/21/30/997942130.db2.gz NFMYVEKILCJCPD-IBGZPJMESA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266128 997942135 /nfs/dbraw/zinc/94/21/35/997942135.db2.gz NFMYVEKILCJCPD-IBGZPJMESA-N 2 2 410.965 3.569 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccccc2)CC1 ZINC000485615160 998062113 /nfs/dbraw/zinc/06/21/13/998062113.db2.gz PSBPZGQMDDILSQ-JTHBVZDNSA-N 2 2 423.605 3.857 20 0 HHADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000477520840 998241503 /nfs/dbraw/zinc/24/15/03/998241503.db2.gz DEVCPOGSIVHUQV-OAQYLSRUSA-N 2 2 421.994 3.517 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000485833922 998299540 /nfs/dbraw/zinc/29/95/40/998299540.db2.gz UXHVMSJYSRCJNR-ROUUACIJSA-N 2 2 408.571 3.852 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485993686 998436719 /nfs/dbraw/zinc/43/67/19/998436719.db2.gz WKMQGLBEWBOLPS-FCHUYYIVSA-N 2 2 403.530 3.530 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485993686 998436723 /nfs/dbraw/zinc/43/67/23/998436723.db2.gz WKMQGLBEWBOLPS-FCHUYYIVSA-N 2 2 403.530 3.530 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000478185229 998809821 /nfs/dbraw/zinc/80/98/21/998809821.db2.gz WJMHWTRVFGIGAO-RDPSFJRHSA-N 2 2 419.573 3.773 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000478411024 998943011 /nfs/dbraw/zinc/94/30/11/998943011.db2.gz MBSCUZSXHXDIAR-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000478974862 999230018 /nfs/dbraw/zinc/23/00/18/999230018.db2.gz CVFDTQQSJJUFOX-LJQANCHMSA-N 2 2 404.352 3.607 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000478976388 999231523 /nfs/dbraw/zinc/23/15/23/999231523.db2.gz NLZPTNYEAIDLFG-LJQANCHMSA-N 2 2 404.352 3.606 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000478976388 999231527 /nfs/dbraw/zinc/23/15/27/999231527.db2.gz NLZPTNYEAIDLFG-LJQANCHMSA-N 2 2 404.352 3.606 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974306 999332813 /nfs/dbraw/zinc/33/28/13/999332813.db2.gz BEFFETBBMNUPAI-QKNQBKEWSA-N 2 2 420.504 3.685 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974306 999332820 /nfs/dbraw/zinc/33/28/20/999332820.db2.gz BEFFETBBMNUPAI-QKNQBKEWSA-N 2 2 420.504 3.685 20 0 HHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479341841 999394743 /nfs/dbraw/zinc/39/47/43/999394743.db2.gz GDRVSFNDBPPNGQ-UXPWSPDFSA-N 2 2 422.976 3.884 20 0 HHADLP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1F ZINC000479360565 999403394 /nfs/dbraw/zinc/40/33/94/999403394.db2.gz MEKUNUMVIIGSOW-JOCHJYFZSA-N 2 2 401.501 3.839 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000480084200 999712846 /nfs/dbraw/zinc/71/28/46/999712846.db2.gz PIGVXICSTSBQII-YNJKOYDBSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000480084200 999712851 /nfs/dbraw/zinc/71/28/51/999712851.db2.gz PIGVXICSTSBQII-YNJKOYDBSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480089238 999714272 /nfs/dbraw/zinc/71/42/72/999714272.db2.gz UKMKJFCPPYKOIG-NTKDMRAZSA-N 2 2 406.530 3.605 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000489255899 999731315 /nfs/dbraw/zinc/73/13/15/999731315.db2.gz NDZCYLLVMMTSKP-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000489255899 999731316 /nfs/dbraw/zinc/73/13/16/999731316.db2.gz NDZCYLLVMMTSKP-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000489258883 999731916 /nfs/dbraw/zinc/73/19/16/999731916.db2.gz TYWQHQPDJIOZST-UXHICEINSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000489258883 999731919 /nfs/dbraw/zinc/73/19/19/999731919.db2.gz TYWQHQPDJIOZST-UXHICEINSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000489285112 999736985 /nfs/dbraw/zinc/73/69/85/999736985.db2.gz BRWJEFGIXLTMPS-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000489285112 999736988 /nfs/dbraw/zinc/73/69/88/999736988.db2.gz BRWJEFGIXLTMPS-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000489297735 999739808 /nfs/dbraw/zinc/73/98/08/999739808.db2.gz VLPVWYDGRYLZNO-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000489297735 999739810 /nfs/dbraw/zinc/73/98/10/999739810.db2.gz VLPVWYDGRYLZNO-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000489366183 999752796 /nfs/dbraw/zinc/75/27/96/999752796.db2.gz TVSZULKGWUILEK-IBGZPJMESA-N 2 2 412.553 3.506 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000489366183 999752799 /nfs/dbraw/zinc/75/27/99/999752799.db2.gz TVSZULKGWUILEK-IBGZPJMESA-N 2 2 412.553 3.506 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000480239144 999753803 /nfs/dbraw/zinc/75/38/03/999753803.db2.gz GKRCUKUSODSSDM-LJQANCHMSA-N 2 2 424.980 3.784 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247638 999755800 /nfs/dbraw/zinc/75/58/00/999755800.db2.gz MTXCKWHIALSOME-APDHKMKFSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247638 999755803 /nfs/dbraw/zinc/75/58/03/999755803.db2.gz MTXCKWHIALSOME-APDHKMKFSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[NH+]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247638 999755805 /nfs/dbraw/zinc/75/58/05/999755805.db2.gz MTXCKWHIALSOME-APDHKMKFSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[NH+]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247638 999755808 /nfs/dbraw/zinc/75/58/08/999755808.db2.gz MTXCKWHIALSOME-APDHKMKFSA-N 3 2 417.638 3.522 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480254418 999757115 /nfs/dbraw/zinc/75/71/15/999757115.db2.gz NJXHEYPYMQRQAA-GOSISDBHSA-N 2 2 419.635 3.965 20 0 HHADLP O=S1(=O)CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2cc(Br)ccc21 ZINC000480262135 999758599 /nfs/dbraw/zinc/75/85/99/999758599.db2.gz VVZKVZHIYQKZCX-MRXNPFEDSA-N 2 2 424.364 3.545 20 0 HHADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCCO2 ZINC000480632434 999846067 /nfs/dbraw/zinc/84/60/67/999846067.db2.gz VLSUNNGYCRIQTA-HSZRJFAPSA-N 2 2 407.558 3.695 20 0 HHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1Br ZINC000480705169 999864006 /nfs/dbraw/zinc/86/40/06/999864006.db2.gz MMOFXQKFYMXOJS-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000490171859 999904504 /nfs/dbraw/zinc/90/45/04/999904504.db2.gz JCXMSWDXRDWPQR-HXUWFJFHSA-N 2 2 403.935 3.628 20 0 HHADLP COc1ccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000490171915 999904517 /nfs/dbraw/zinc/90/45/17/999904517.db2.gz JOYOKLYSVNDMJO-DEOSSOPVSA-N 2 2 420.532 3.860 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490770261 1000003874 /nfs/dbraw/zinc/00/38/74/1000003874.db2.gz ODPIQQSFDIQZRO-OYDLWJJNSA-N 2 2 423.626 3.803 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490770261 1000003876 /nfs/dbraw/zinc/00/38/76/1000003876.db2.gz ODPIQQSFDIQZRO-OYDLWJJNSA-N 2 2 423.626 3.803 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)c1 ZINC000491384464 1000070272 /nfs/dbraw/zinc/07/02/72/1000070272.db2.gz SZHSPIXADAVCGY-HXUWFJFHSA-N 2 2 403.935 3.709 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2cccs2)CC1 ZINC000492272270 1000119479 /nfs/dbraw/zinc/11/94/79/1000119479.db2.gz QLAKTQTZDLYVQW-IBGZPJMESA-N 2 2 424.574 3.983 20 0 HHADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000492329497 1000122150 /nfs/dbraw/zinc/12/21/50/1000122150.db2.gz LSZJQJXKHRMRSH-UHFFFAOYSA-N 2 2 423.557 3.852 20 0 HHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000492811957 1000145035 /nfs/dbraw/zinc/14/50/35/1000145035.db2.gz XPSNNOAWNRNLBP-UHFFFAOYSA-N 2 2 423.424 3.642 20 0 HHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000492811957 1000145036 /nfs/dbraw/zinc/14/50/36/1000145036.db2.gz XPSNNOAWNRNLBP-UHFFFAOYSA-N 2 2 423.424 3.642 20 0 HHADLP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492850549 1000146762 /nfs/dbraw/zinc/14/67/62/1000146762.db2.gz GZNGQDFOJOAFSQ-CQSZACIVSA-N 2 2 412.365 3.674 20 0 HHADLP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492850549 1000146764 /nfs/dbraw/zinc/14/67/64/1000146764.db2.gz GZNGQDFOJOAFSQ-CQSZACIVSA-N 2 2 412.365 3.674 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011899 1000154219 /nfs/dbraw/zinc/15/42/19/1000154219.db2.gz WNAZZQJSFHJEFA-HSZRJFAPSA-N 2 2 419.972 3.548 20 0 HHADLP C[C@]1(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494431380 1000489486 /nfs/dbraw/zinc/48/94/86/1000489486.db2.gz OYLBYYIUFTZHSZ-AREMUKBSSA-N 2 2 421.585 3.832 20 0 HHADLP C[C@]1(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000494431380 1000489490 /nfs/dbraw/zinc/48/94/90/1000489490.db2.gz OYLBYYIUFTZHSZ-AREMUKBSSA-N 2 2 421.585 3.832 20 0 HHADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151089 1000580405 /nfs/dbraw/zinc/58/04/05/1000580405.db2.gz NJFULKZOEVMSJO-JTHBVZDNSA-N 2 2 406.574 3.980 20 0 HHADLP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151089 1000580411 /nfs/dbraw/zinc/58/04/11/1000580411.db2.gz NJFULKZOEVMSJO-JTHBVZDNSA-N 2 2 406.574 3.980 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cc(Cl)ccc1Cl ZINC000495831805 1001083161 /nfs/dbraw/zinc/08/31/61/1001083161.db2.gz JOMXSZYOAWHJKM-UHFFFAOYSA-N 2 2 404.407 3.570 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cc(Cl)ccc1Cl ZINC000495831805 1001083170 /nfs/dbraw/zinc/08/31/70/1001083170.db2.gz JOMXSZYOAWHJKM-UHFFFAOYSA-N 2 2 404.407 3.570 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506027933 1001173773 /nfs/dbraw/zinc/17/37/73/1001173773.db2.gz PHBXNNZSISKLEU-INIZCTEOSA-N 2 2 411.949 3.631 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506048097 1001190266 /nfs/dbraw/zinc/19/02/66/1001190266.db2.gz UTKXDZUUJBAJFD-INIZCTEOSA-N 2 2 411.949 3.631 20 0 HHADLP Cn1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506358599 1001375971 /nfs/dbraw/zinc/37/59/71/1001375971.db2.gz WWHAZNBKWOVYKD-UHFFFAOYSA-N 2 2 410.562 3.699 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC000506472700 1001428260 /nfs/dbraw/zinc/42/82/60/1001428260.db2.gz GPDFSVYTIRTLPS-DYXWJJEUSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC000506472700 1001428263 /nfs/dbraw/zinc/42/82/63/1001428263.db2.gz GPDFSVYTIRTLPS-DYXWJJEUSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1F ZINC000506472700 1001428266 /nfs/dbraw/zinc/42/82/66/1001428266.db2.gz GPDFSVYTIRTLPS-DYXWJJEUSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1F ZINC000506472700 1001428268 /nfs/dbraw/zinc/42/82/68/1001428268.db2.gz GPDFSVYTIRTLPS-DYXWJJEUSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506904208 1001588237 /nfs/dbraw/zinc/58/82/37/1001588237.db2.gz JWCZVBDKLWCDFD-GOSISDBHSA-N 2 2 413.587 3.876 20 0 HHADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000506904208 1001588240 /nfs/dbraw/zinc/58/82/40/1001588240.db2.gz JWCZVBDKLWCDFD-GOSISDBHSA-N 2 2 413.587 3.876 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498127053 1001652868 /nfs/dbraw/zinc/65/28/68/1001652868.db2.gz NEFYKDLADHKJSQ-ZJOUEHCJSA-N 2 2 420.504 3.684 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498127053 1001652869 /nfs/dbraw/zinc/65/28/69/1001652869.db2.gz NEFYKDLADHKJSQ-ZJOUEHCJSA-N 2 2 420.504 3.684 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507257232 1001941631 /nfs/dbraw/zinc/94/16/31/1001941631.db2.gz XUMGJTMLVZRTKX-IRLDBZIGSA-N 2 2 409.578 3.720 20 0 HHADLP COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000507295097 1001979241 /nfs/dbraw/zinc/97/92/41/1001979241.db2.gz YOLQRBAOWJVCIG-UHFFFAOYSA-N 2 2 418.541 3.548 20 0 HHADLP COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000507295097 1001979230 /nfs/dbraw/zinc/97/92/30/1001979230.db2.gz YOLQRBAOWJVCIG-UHFFFAOYSA-N 2 2 418.541 3.548 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000507374913 1002032448 /nfs/dbraw/zinc/03/24/48/1002032448.db2.gz ZSKKITXOZONBLV-XUVXKRRUSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000507374913 1002032434 /nfs/dbraw/zinc/03/24/34/1002032434.db2.gz ZSKKITXOZONBLV-XUVXKRRUSA-N 2 2 413.610 3.761 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000498699971 1002086174 /nfs/dbraw/zinc/08/61/74/1002086174.db2.gz CFPCIEHPOCDPLK-PZJWPPBQSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000498699971 1002086182 /nfs/dbraw/zinc/08/61/82/1002086182.db2.gz CFPCIEHPOCDPLK-PZJWPPBQSA-N 2 2 410.562 3.759 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000507464883 1002086518 /nfs/dbraw/zinc/08/65/18/1002086518.db2.gz CMNMACADGPTNRD-IRMYBRCSSA-N 2 2 406.574 3.838 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507464883 1002086503 /nfs/dbraw/zinc/08/65/03/1002086503.db2.gz CMNMACADGPTNRD-IRMYBRCSSA-N 2 2 406.574 3.838 20 0 HHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000507466764 1002088424 /nfs/dbraw/zinc/08/84/24/1002088424.db2.gz DJBLSXZAQYFFFZ-UHFFFAOYSA-N 2 2 402.848 3.939 20 0 HHADLP C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000499384173 1002775504 /nfs/dbraw/zinc/77/55/04/1002775504.db2.gz NUAVLPAUUFHYBN-NFBKMPQASA-N 2 2 407.643 3.817 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000508395061 1002885805 /nfs/dbraw/zinc/88/58/05/1002885805.db2.gz APJKUUGTKBBFAU-JOCHJYFZSA-N 2 2 404.514 3.507 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508889500 1003316401 /nfs/dbraw/zinc/31/64/01/1003316401.db2.gz DQMSWHWIJGIOBJ-GCJKJVERSA-N 2 2 409.578 3.800 20 0 HHADLP C[N@@H+](CCOc1ccccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508890933 1003319500 /nfs/dbraw/zinc/31/95/00/1003319500.db2.gz RHNCEYWYEVQEPN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP C[N@H+](CCOc1ccccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508890933 1003319490 /nfs/dbraw/zinc/31/94/90/1003319490.db2.gz RHNCEYWYEVQEPN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508961823 1003425999 /nfs/dbraw/zinc/42/59/99/1003425999.db2.gz HAYQDJSFRLFUBZ-KRWDZBQOSA-N 2 2 423.527 3.925 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000508979472 1003451305 /nfs/dbraw/zinc/45/13/05/1003451305.db2.gz SNTXDLNOAIERBF-HXUWFJFHSA-N 2 2 406.574 3.898 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nc4ccccc4n3C)CC2)c1C ZINC000509038204 1003508416 /nfs/dbraw/zinc/50/84/16/1003508416.db2.gz NLKHKHBREQNOGA-UHFFFAOYSA-N 2 2 407.562 3.690 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc4ccccc4n3C)CC2)c1C ZINC000509038204 1003508406 /nfs/dbraw/zinc/50/84/06/1003508406.db2.gz NLKHKHBREQNOGA-UHFFFAOYSA-N 2 2 407.562 3.690 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccn(-c4ccccc4)n3)CC2)c1C ZINC000509072991 1003532977 /nfs/dbraw/zinc/53/29/77/1003532977.db2.gz XMCQBVODENVXEA-UHFFFAOYSA-N 2 2 419.573 3.989 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccn(-c4ccccc4)n3)CC2)c1C ZINC000509072991 1003532970 /nfs/dbraw/zinc/53/29/70/1003532970.db2.gz XMCQBVODENVXEA-UHFFFAOYSA-N 2 2 419.573 3.989 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512111019 1004031142 /nfs/dbraw/zinc/03/11/42/1004031142.db2.gz BKINFQKMZJVGPA-JOCHJYFZSA-N 2 2 421.589 3.650 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512111019 1004031153 /nfs/dbraw/zinc/03/11/53/1004031153.db2.gz BKINFQKMZJVGPA-JOCHJYFZSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512153965 1004062146 /nfs/dbraw/zinc/06/21/46/1004062146.db2.gz WYHILPOICLMKMX-BWKNWUBXSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512153965 1004062156 /nfs/dbraw/zinc/06/21/56/1004062156.db2.gz WYHILPOICLMKMX-BWKNWUBXSA-N 2 2 421.585 3.608 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000512173217 1004075603 /nfs/dbraw/zinc/07/56/03/1004075603.db2.gz UKXFORVGVRBBQL-FGZHOGPDSA-N 2 2 408.546 3.545 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000512173217 1004075610 /nfs/dbraw/zinc/07/56/10/1004075610.db2.gz UKXFORVGVRBBQL-FGZHOGPDSA-N 2 2 408.546 3.545 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000512177985 1004080473 /nfs/dbraw/zinc/08/04/73/1004080473.db2.gz UKXFORVGVRBBQL-FCHUYYIVSA-N 2 2 408.546 3.545 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000512177985 1004080480 /nfs/dbraw/zinc/08/04/80/1004080480.db2.gz UKXFORVGVRBBQL-FCHUYYIVSA-N 2 2 408.546 3.545 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512199901 1004100976 /nfs/dbraw/zinc/10/09/76/1004100976.db2.gz VXBQJGSLNCEUBV-GHTZIAJQSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512199901 1004100983 /nfs/dbraw/zinc/10/09/83/1004100983.db2.gz VXBQJGSLNCEUBV-GHTZIAJQSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512199901 1004100989 /nfs/dbraw/zinc/10/09/89/1004100989.db2.gz VXBQJGSLNCEUBV-GHTZIAJQSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512199901 1004100995 /nfs/dbraw/zinc/10/09/95/1004100995.db2.gz VXBQJGSLNCEUBV-GHTZIAJQSA-N 2 2 404.599 3.538 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209415 1004110722 /nfs/dbraw/zinc/11/07/22/1004110722.db2.gz ATZALPMWHPVEFY-VXKWHMMOSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209415 1004110726 /nfs/dbraw/zinc/11/07/26/1004110726.db2.gz ATZALPMWHPVEFY-VXKWHMMOSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209415 1004110731 /nfs/dbraw/zinc/11/07/31/1004110731.db2.gz ATZALPMWHPVEFY-VXKWHMMOSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209415 1004110735 /nfs/dbraw/zinc/11/07/35/1004110735.db2.gz ATZALPMWHPVEFY-VXKWHMMOSA-N 2 2 413.606 3.774 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000512221836 1004123075 /nfs/dbraw/zinc/12/30/75/1004123075.db2.gz LRLODBLDGLJUCA-OAQYLSRUSA-N 2 2 423.586 3.742 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000512221836 1004123082 /nfs/dbraw/zinc/12/30/82/1004123082.db2.gz LRLODBLDGLJUCA-OAQYLSRUSA-N 2 2 423.586 3.742 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000512238710 1004140687 /nfs/dbraw/zinc/14/06/87/1004140687.db2.gz IFRSEUVHHKPCPO-GOSISDBHSA-N 2 2 407.921 3.510 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509848714 1004146716 /nfs/dbraw/zinc/14/67/16/1004146716.db2.gz CGOMIIYBFJLXAD-YYDVJCTNSA-N 2 2 410.562 3.720 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509848714 1004146725 /nfs/dbraw/zinc/14/67/25/1004146725.db2.gz CGOMIIYBFJLXAD-YYDVJCTNSA-N 2 2 410.562 3.720 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104869 1004207808 /nfs/dbraw/zinc/20/78/08/1004207808.db2.gz MLXPALDEICTBRV-CWWINAKGSA-N 2 2 420.504 3.732 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104869 1004207812 /nfs/dbraw/zinc/20/78/12/1004207812.db2.gz MLXPALDEICTBRV-CWWINAKGSA-N 2 2 420.504 3.732 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(CCC(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000501144682 1004233342 /nfs/dbraw/zinc/23/33/42/1004233342.db2.gz VGVZFIGKTQIEAL-UHFFFAOYSA-N 2 2 411.512 3.862 20 0 HHADLP Cc1ccc(C(C)C)c(OCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000501145305 1004234189 /nfs/dbraw/zinc/23/41/89/1004234189.db2.gz XGVSAGOFKCLUKV-UHFFFAOYSA-N 2 2 415.622 3.954 20 0 HHADLP COc1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1SC ZINC000512426839 1004292856 /nfs/dbraw/zinc/29/28/56/1004292856.db2.gz JBKGPBBRMUQWIR-JOCHJYFZSA-N 2 2 411.615 3.809 20 0 HHADLP COc1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1SC ZINC000512426839 1004292871 /nfs/dbraw/zinc/29/28/71/1004292871.db2.gz JBKGPBBRMUQWIR-JOCHJYFZSA-N 2 2 411.615 3.809 20 0 HHADLP CC[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000501401265 1004394093 /nfs/dbraw/zinc/39/40/93/1004394093.db2.gz SSWFFDQPEGSFGT-HSZRJFAPSA-N 2 2 421.589 3.708 20 0 HHADLP CC[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000501401265 1004394098 /nfs/dbraw/zinc/39/40/98/1004394098.db2.gz SSWFFDQPEGSFGT-HSZRJFAPSA-N 2 2 421.589 3.708 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501539108 1004500158 /nfs/dbraw/zinc/50/01/58/1004500158.db2.gz WEMRXIBVAGUKPS-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501539108 1004500166 /nfs/dbraw/zinc/50/01/66/1004500166.db2.gz WEMRXIBVAGUKPS-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501539108 1004500174 /nfs/dbraw/zinc/50/01/74/1004500174.db2.gz WEMRXIBVAGUKPS-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501539108 1004500182 /nfs/dbraw/zinc/50/01/82/1004500182.db2.gz WEMRXIBVAGUKPS-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000512834081 1004592538 /nfs/dbraw/zinc/59/25/38/1004592538.db2.gz OFDPWKSVJJSKTC-JOCHJYFZSA-N 2 2 418.541 3.978 20 0 HHADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000512834081 1004592542 /nfs/dbraw/zinc/59/25/42/1004592542.db2.gz OFDPWKSVJJSKTC-JOCHJYFZSA-N 2 2 418.541 3.978 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512848085 1004610855 /nfs/dbraw/zinc/61/08/55/1004610855.db2.gz ZUNXIJGMDQWQOU-SJLPKXTDSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512848085 1004610863 /nfs/dbraw/zinc/61/08/63/1004610863.db2.gz ZUNXIJGMDQWQOU-SJLPKXTDSA-N 2 2 421.467 3.592 20 0 HHADLP COc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CCOCC2)cc1 ZINC000513049617 1004778180 /nfs/dbraw/zinc/77/81/80/1004778180.db2.gz AGNOYNMLDJTLII-UHFFFAOYSA-N 2 2 400.485 3.750 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501877029 1004792234 /nfs/dbraw/zinc/79/22/34/1004792234.db2.gz ZBAKGOFEHVBYTI-MMCAFHBRSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501877029 1004792239 /nfs/dbraw/zinc/79/22/39/1004792239.db2.gz ZBAKGOFEHVBYTI-MMCAFHBRSA-N 2 2 424.511 3.507 20 0 HHADLP Brc1ccc(C[N@H+](CCCO[C@@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510872015 1004903266 /nfs/dbraw/zinc/90/32/66/1004903266.db2.gz KAHDFRQDJXQZNL-GOSISDBHSA-N 2 2 412.328 3.674 20 0 HHADLP Brc1ccc(C[N@@H+](CCCO[C@@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510872015 1004903268 /nfs/dbraw/zinc/90/32/68/1004903268.db2.gz KAHDFRQDJXQZNL-GOSISDBHSA-N 2 2 412.328 3.674 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000513322128 1004911044 /nfs/dbraw/zinc/91/10/44/1004911044.db2.gz PRUVUBGQPJXCGE-SDUSCBPUSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000513322128 1004911047 /nfs/dbraw/zinc/91/10/47/1004911047.db2.gz PRUVUBGQPJXCGE-SDUSCBPUSA-N 2 2 405.586 3.863 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000513376685 1004933405 /nfs/dbraw/zinc/93/34/05/1004933405.db2.gz IKYSQLXLUQVSEH-JOCHJYFZSA-N 2 2 411.594 3.862 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)cc1 ZINC000513500127 1004992056 /nfs/dbraw/zinc/99/20/56/1004992056.db2.gz KRHGVHWOODUOIW-RUZDIDTESA-N 2 2 401.558 3.562 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511053547 1004998760 /nfs/dbraw/zinc/99/87/60/1004998760.db2.gz GCIPLAYJWNGEPD-UHFFFAOYSA-N 2 2 416.616 3.930 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513526781 1005005951 /nfs/dbraw/zinc/00/59/51/1005005951.db2.gz QDULIOYSENMBPK-AREMUKBSSA-N 2 2 415.585 3.688 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387438 1005050829 /nfs/dbraw/zinc/05/08/29/1005050829.db2.gz SNSGYPOORMWLIH-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000502387438 1005050834 /nfs/dbraw/zinc/05/08/34/1005050834.db2.gz SNSGYPOORMWLIH-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000511162005 1005052191 /nfs/dbraw/zinc/05/21/91/1005052191.db2.gz PFIDLBVJFBGUDU-UHFFFAOYSA-N 3 2 422.013 3.755 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000511162005 1005052200 /nfs/dbraw/zinc/05/22/00/1005052200.db2.gz PFIDLBVJFBGUDU-UHFFFAOYSA-N 3 2 422.013 3.755 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000511192400 1005068167 /nfs/dbraw/zinc/06/81/67/1005068167.db2.gz URCFIQRAQDYSDB-QUCCMNQESA-N 2 2 420.479 3.878 20 0 HHADLP CCOc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1OCC(C)C ZINC000513672481 1005076905 /nfs/dbraw/zinc/07/69/05/1005076905.db2.gz KGXSZMNMCZSJDB-QFIPXVFZSA-N 2 2 403.611 3.722 20 0 HHADLP CCOc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1OCC(C)C ZINC000513672481 1005076909 /nfs/dbraw/zinc/07/69/09/1005076909.db2.gz KGXSZMNMCZSJDB-QFIPXVFZSA-N 2 2 403.611 3.722 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000513689620 1005083478 /nfs/dbraw/zinc/08/34/78/1005083478.db2.gz DMSFSQBMNJLNTO-UHFFFAOYSA-N 2 2 404.624 3.567 20 0 HHADLP CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccc(Cl)cc2)C1 ZINC000511399782 1005158287 /nfs/dbraw/zinc/15/82/87/1005158287.db2.gz PNAFQQZJLLDBSM-XZOQPEGZSA-N 2 2 410.949 3.746 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCCc3[nH+]ccn3Cc3ccccc3)CC2)CC1 ZINC000502654370 1005163087 /nfs/dbraw/zinc/16/30/87/1005163087.db2.gz ZQDYZTQIRYLOGN-UHFFFAOYSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513897787 1005177981 /nfs/dbraw/zinc/17/79/81/1005177981.db2.gz XTLWYQSCYACTHE-MRXNPFEDSA-N 2 2 404.555 3.840 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513998032 1005220694 /nfs/dbraw/zinc/22/06/94/1005220694.db2.gz YIBRNWNIJDFAOK-NRFANRHFSA-N 2 2 415.990 3.676 20 0 HHADLP CC[N@H+](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1Cl ZINC000502858431 1005246534 /nfs/dbraw/zinc/24/65/34/1005246534.db2.gz AJOOZFDENNWJFR-UHFFFAOYSA-N 2 2 414.981 3.932 20 0 HHADLP CC[N@@H+](CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1Cl ZINC000502858431 1005246538 /nfs/dbraw/zinc/24/65/38/1005246538.db2.gz AJOOZFDENNWJFR-UHFFFAOYSA-N 2 2 414.981 3.932 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000502877939 1005255435 /nfs/dbraw/zinc/25/54/35/1005255435.db2.gz SNKWLFZDVHOGGF-HKBOAZHASA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000502877939 1005255436 /nfs/dbraw/zinc/25/54/36/1005255436.db2.gz SNKWLFZDVHOGGF-HKBOAZHASA-N 2 2 416.610 3.929 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000514082451 1005257376 /nfs/dbraw/zinc/25/73/76/1005257376.db2.gz HWSYBXMECFYDPU-RUZDIDTESA-N 2 2 420.601 3.828 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1Cl ZINC000514197065 1005307927 /nfs/dbraw/zinc/30/79/27/1005307927.db2.gz IDFBQCBTXRVAHM-UZLBHIALSA-N 2 2 405.974 3.863 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000503046751 1005326704 /nfs/dbraw/zinc/32/67/04/1005326704.db2.gz NDXPDCZIJJOPKM-UHFFFAOYSA-N 2 2 420.561 3.995 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000503046751 1005326708 /nfs/dbraw/zinc/32/67/08/1005326708.db2.gz NDXPDCZIJJOPKM-UHFFFAOYSA-N 2 2 420.561 3.995 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503081007 1005342280 /nfs/dbraw/zinc/34/22/80/1005342280.db2.gz PJKCRVPQNLZRTG-RDPSFJRHSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503081007 1005342284 /nfs/dbraw/zinc/34/22/84/1005342284.db2.gz PJKCRVPQNLZRTG-RDPSFJRHSA-N 2 2 418.541 3.661 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503095237 1005345902 /nfs/dbraw/zinc/34/59/02/1005345902.db2.gz MEHZCXMHHUXOJN-NBHGPNQESA-N 2 2 406.534 3.596 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503095237 1005345904 /nfs/dbraw/zinc/34/59/04/1005345904.db2.gz MEHZCXMHHUXOJN-NBHGPNQESA-N 2 2 406.534 3.596 20 0 HHADLP Brc1ccc2[nH+]ccc(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000503550988 1005450057 /nfs/dbraw/zinc/45/00/57/1005450057.db2.gz KCKLTYIJWBAGOV-GOSISDBHSA-N 2 2 418.360 3.966 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000503724542 1005486018 /nfs/dbraw/zinc/48/60/18/1005486018.db2.gz JGOJXNKUCMIKDV-SFHVURJKSA-N 2 2 400.592 3.705 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000504117928 1005556073 /nfs/dbraw/zinc/55/60/73/1005556073.db2.gz PHLQKIPBDCGXBY-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194038 1006184156 /nfs/dbraw/zinc/18/41/56/1006184156.db2.gz KJQTXIASMCWJBV-RTWAWAEBSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194038 1006184164 /nfs/dbraw/zinc/18/41/64/1006184164.db2.gz KJQTXIASMCWJBV-RTWAWAEBSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194036 1006184282 /nfs/dbraw/zinc/18/42/82/1006184282.db2.gz KJQTXIASMCWJBV-LEWJYISDSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194036 1006184288 /nfs/dbraw/zinc/18/42/88/1006184288.db2.gz KJQTXIASMCWJBV-LEWJYISDSA-N 2 2 402.583 3.886 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000534216775 1006212403 /nfs/dbraw/zinc/21/24/03/1006212403.db2.gz CVTKOMGTDXESSW-QGZVFWFLSA-N 2 2 413.572 3.706 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000534216775 1006212409 /nfs/dbraw/zinc/21/24/09/1006212409.db2.gz CVTKOMGTDXESSW-QGZVFWFLSA-N 2 2 413.572 3.706 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000534216772 1006212475 /nfs/dbraw/zinc/21/24/75/1006212475.db2.gz CVTKOMGTDXESSW-KRWDZBQOSA-N 2 2 413.572 3.706 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000534216772 1006212492 /nfs/dbraw/zinc/21/24/92/1006212492.db2.gz CVTKOMGTDXESSW-KRWDZBQOSA-N 2 2 413.572 3.706 20 0 HHADLP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534230221 1006229848 /nfs/dbraw/zinc/22/98/48/1006229848.db2.gz RISGVYXLGJOCJQ-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534230221 1006229857 /nfs/dbraw/zinc/22/98/57/1006229857.db2.gz RISGVYXLGJOCJQ-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP OCCNc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c2ccccc21 ZINC000534236351 1006241208 /nfs/dbraw/zinc/24/12/08/1006241208.db2.gz TYCCMKFQSUBGOC-UHFFFAOYSA-N 2 2 417.557 3.527 20 0 HHADLP OCCNc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c2ccccc21 ZINC000534236351 1006241218 /nfs/dbraw/zinc/24/12/18/1006241218.db2.gz TYCCMKFQSUBGOC-UHFFFAOYSA-N 2 2 417.557 3.527 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360204 1006323360 /nfs/dbraw/zinc/32/33/60/1006323360.db2.gz MCLBGGHVWQAEQJ-YADHBBJMSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360204 1006323374 /nfs/dbraw/zinc/32/33/74/1006323374.db2.gz MCLBGGHVWQAEQJ-YADHBBJMSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360197 1006323658 /nfs/dbraw/zinc/32/36/58/1006323658.db2.gz MCLBGGHVWQAEQJ-FGZHOGPDSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360197 1006323667 /nfs/dbraw/zinc/32/36/67/1006323667.db2.gz MCLBGGHVWQAEQJ-FGZHOGPDSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361301 1006325493 /nfs/dbraw/zinc/32/54/93/1006325493.db2.gz YCSKFUDAUCKDKD-RPWUZVMVSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361301 1006325501 /nfs/dbraw/zinc/32/55/01/1006325501.db2.gz YCSKFUDAUCKDKD-RPWUZVMVSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361299 1006326119 /nfs/dbraw/zinc/32/61/19/1006326119.db2.gz YCSKFUDAUCKDKD-BJKOFHAPSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361299 1006326129 /nfs/dbraw/zinc/32/61/29/1006326129.db2.gz YCSKFUDAUCKDKD-BJKOFHAPSA-N 2 2 410.606 3.516 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361393 1006326926 /nfs/dbraw/zinc/32/69/26/1006326926.db2.gz YUXFRPWZEJWLNV-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361393 1006326936 /nfs/dbraw/zinc/32/69/36/1006326936.db2.gz YUXFRPWZEJWLNV-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376124 1006344063 /nfs/dbraw/zinc/34/40/63/1006344063.db2.gz BUJWEWZTABCTAS-ZEQRLZLVSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376124 1006344077 /nfs/dbraw/zinc/34/40/77/1006344077.db2.gz BUJWEWZTABCTAS-ZEQRLZLVSA-N 2 2 414.638 3.825 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521239 1006516664 /nfs/dbraw/zinc/51/66/64/1006516664.db2.gz ZAHHPZVQPSTSRH-FXAWDEMLSA-N 2 2 415.607 3.669 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521239 1006516672 /nfs/dbraw/zinc/51/66/72/1006516672.db2.gz ZAHHPZVQPSTSRH-FXAWDEMLSA-N 2 2 415.607 3.669 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1 ZINC000534528564 1006521795 /nfs/dbraw/zinc/52/17/95/1006521795.db2.gz MZCHACCWHWNVJK-IBGZPJMESA-N 2 2 406.983 3.532 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000534538909 1006530426 /nfs/dbraw/zinc/53/04/26/1006530426.db2.gz AYNQHKQXWYQKJK-JOCHJYFZSA-N 2 2 412.965 3.790 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000534538909 1006530435 /nfs/dbraw/zinc/53/04/35/1006530435.db2.gz AYNQHKQXWYQKJK-JOCHJYFZSA-N 2 2 412.965 3.790 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939402 1006532640 /nfs/dbraw/zinc/53/26/40/1006532640.db2.gz NIFADJIDWLGACZ-CQSZACIVSA-N 2 2 405.340 3.531 20 0 HHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955243 1006544032 /nfs/dbraw/zinc/54/40/32/1006544032.db2.gz MEHZNSCDFLLHEU-QFIPXVFZSA-N 2 2 422.573 3.793 20 0 HHADLP Cc1c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965632 1006550882 /nfs/dbraw/zinc/55/08/82/1006550882.db2.gz IULGAGIYLCRUTO-YKSBVNFPSA-N 2 2 418.589 3.523 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000531989898 1006565174 /nfs/dbraw/zinc/56/51/74/1006565174.db2.gz UKEGHXPYGFLAHG-LJQANCHMSA-N 2 2 403.368 3.837 20 0 HHADLP COc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cs2)cc1 ZINC000534580797 1006568251 /nfs/dbraw/zinc/56/82/51/1006568251.db2.gz QIEHYTOXUIWXCD-WCRBZPEASA-N 2 2 412.603 3.562 20 0 HHADLP COc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cs2)cc1 ZINC000534580797 1006568263 /nfs/dbraw/zinc/56/82/63/1006568263.db2.gz QIEHYTOXUIWXCD-WCRBZPEASA-N 2 2 412.603 3.562 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325131 1006591381 /nfs/dbraw/zinc/59/13/81/1006591381.db2.gz OOOZCJKJTHKLDP-FGZHOGPDSA-N 2 2 418.630 3.648 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325131 1006591385 /nfs/dbraw/zinc/59/13/85/1006591385.db2.gz OOOZCJKJTHKLDP-FGZHOGPDSA-N 2 2 418.630 3.648 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538393203 1006662459 /nfs/dbraw/zinc/66/24/59/1006662459.db2.gz JMLOKUMNUBBPPN-CQSZACIVSA-N 2 2 422.367 3.789 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000515795493 1006677443 /nfs/dbraw/zinc/67/74/43/1006677443.db2.gz VUZIRWGKCARRSL-VIZSFHNOSA-N 2 2 424.589 3.590 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534714716 1006701265 /nfs/dbraw/zinc/70/12/65/1006701265.db2.gz ODRMOXWVGXMAPJ-GOTSBHOMSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534714716 1006701273 /nfs/dbraw/zinc/70/12/73/1006701273.db2.gz ODRMOXWVGXMAPJ-GOTSBHOMSA-N 2 2 412.553 3.783 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718982 1006705077 /nfs/dbraw/zinc/70/50/77/1006705077.db2.gz AVKHAUHSNVLJSX-IEXUWNMDSA-N 2 2 415.622 3.669 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718982 1006705087 /nfs/dbraw/zinc/70/50/87/1006705087.db2.gz AVKHAUHSNVLJSX-IEXUWNMDSA-N 2 2 415.622 3.669 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000532193333 1006710588 /nfs/dbraw/zinc/71/05/88/1006710588.db2.gz HVCCMVCKIPFQFZ-CQSZACIVSA-N 2 2 405.340 3.531 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1sccc1Br ZINC000532194001 1006711399 /nfs/dbraw/zinc/71/13/99/1006711399.db2.gz KFOTXTPGPRXKAN-AWEZNQCLSA-N 2 2 422.392 3.749 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000534724016 1006711349 /nfs/dbraw/zinc/71/13/49/1006711349.db2.gz XVBBMTQPTIKQHY-XQUALCHDSA-N 2 2 415.541 3.856 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000534724016 1006711360 /nfs/dbraw/zinc/71/13/60/1006711360.db2.gz XVBBMTQPTIKQHY-XQUALCHDSA-N 2 2 415.541 3.856 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1Cl ZINC000532218967 1006729340 /nfs/dbraw/zinc/72/93/40/1006729340.db2.gz IJLWGGXTOLJMOY-HNNXBMFYSA-N 2 2 407.345 3.778 20 0 HHADLP COc1ccc2cc([C@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000532219849 1006730193 /nfs/dbraw/zinc/73/01/93/1006730193.db2.gz UAYZZGYLJGCRCR-IBGZPJMESA-N 2 2 418.541 3.633 20 0 HHADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467544 1006736800 /nfs/dbraw/zinc/73/68/00/1006736800.db2.gz IVXYIJWVLHMYJS-ICSRJNTNSA-N 2 2 409.496 3.614 20 0 HHADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467544 1006736809 /nfs/dbraw/zinc/73/68/09/1006736809.db2.gz IVXYIJWVLHMYJS-ICSRJNTNSA-N 2 2 409.496 3.614 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496547 1006764340 /nfs/dbraw/zinc/76/43/40/1006764340.db2.gz PJACUEGOZRCNPW-XZOQPEGZSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496547 1006764345 /nfs/dbraw/zinc/76/43/45/1006764345.db2.gz PJACUEGOZRCNPW-XZOQPEGZSA-N 2 2 417.642 3.962 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828375 1006839789 /nfs/dbraw/zinc/83/97/89/1006839789.db2.gz ZOIYAVDVEXSHDO-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828375 1006839800 /nfs/dbraw/zinc/83/98/00/1006839800.db2.gz ZOIYAVDVEXSHDO-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000532447810 1006889747 /nfs/dbraw/zinc/88/97/47/1006889747.db2.gz RCSTWTNWUXHUKN-CQSZACIVSA-N 2 2 403.328 3.666 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000532473839 1006912630 /nfs/dbraw/zinc/91/26/30/1006912630.db2.gz YMEZHKYQAHKTKD-HXUWFJFHSA-N 2 2 423.557 3.850 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000532473837 1006912772 /nfs/dbraw/zinc/91/27/72/1006912772.db2.gz YMEZHKYQAHKTKD-FQEVSTJZSA-N 2 2 423.557 3.850 20 0 HHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479115 1006918568 /nfs/dbraw/zinc/91/85/68/1006918568.db2.gz AEMHPSSIDAAVQX-HIFRSBDPSA-N 2 2 424.408 3.988 20 0 HHADLP CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000532480435 1006919641 /nfs/dbraw/zinc/91/96/41/1006919641.db2.gz SIADSUXCDSAZAZ-UHFFFAOYSA-N 2 2 404.514 3.683 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534931765 1006968605 /nfs/dbraw/zinc/96/86/05/1006968605.db2.gz ULDONZHWAOAEPB-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534931765 1006968612 /nfs/dbraw/zinc/96/86/12/1006968612.db2.gz ULDONZHWAOAEPB-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)CC2)CC1 ZINC000516264776 1006980627 /nfs/dbraw/zinc/98/06/27/1006980627.db2.gz SEPWMBCGNMZEMF-UHFFFAOYSA-N 2 2 424.511 3.552 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2F)c1 ZINC000538709133 1006985614 /nfs/dbraw/zinc/98/56/14/1006985614.db2.gz OJQWPBNXNXVYLX-OAQYLSRUSA-N 2 2 419.497 3.724 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093666 1007108511 /nfs/dbraw/zinc/10/85/11/1007108511.db2.gz DCNBFHOTIMCMAG-ZEQRLZLVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093666 1007108515 /nfs/dbraw/zinc/10/85/15/1007108515.db2.gz DCNBFHOTIMCMAG-ZEQRLZLVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095902 1007113015 /nfs/dbraw/zinc/11/30/15/1007113015.db2.gz LKUCGVWEETXCAP-FCHUYYIVSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095902 1007113024 /nfs/dbraw/zinc/11/30/24/1007113024.db2.gz LKUCGVWEETXCAP-FCHUYYIVSA-N 2 2 400.542 3.716 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097612 1007115649 /nfs/dbraw/zinc/11/56/49/1007115649.db2.gz XABFLZAZVQNKBJ-BJKOFHAPSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097612 1007115653 /nfs/dbraw/zinc/11/56/53/1007115653.db2.gz XABFLZAZVQNKBJ-BJKOFHAPSA-N 2 2 410.606 3.814 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535098016 1007116538 /nfs/dbraw/zinc/11/65/38/1007116538.db2.gz BJJLMXAHIHBCOM-LEWJYISDSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535098016 1007116540 /nfs/dbraw/zinc/11/65/40/1007116540.db2.gz BJJLMXAHIHBCOM-LEWJYISDSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108823 1007133142 /nfs/dbraw/zinc/13/31/42/1007133142.db2.gz BLCXHCXNIHODTR-GOTSBHOMSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108823 1007133150 /nfs/dbraw/zinc/13/31/50/1007133150.db2.gz BLCXHCXNIHODTR-GOTSBHOMSA-N 2 2 412.622 3.697 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112163 1007137648 /nfs/dbraw/zinc/13/76/48/1007137648.db2.gz QAOBXBRVLIKAFD-MNAPGUCWSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112163 1007137654 /nfs/dbraw/zinc/13/76/54/1007137654.db2.gz QAOBXBRVLIKAFD-MNAPGUCWSA-N 2 2 416.610 3.882 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114363 1007140917 /nfs/dbraw/zinc/14/09/17/1007140917.db2.gz CHAGIEMZAXMQNZ-DQLDELGASA-N 2 2 422.976 3.598 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114363 1007140938 /nfs/dbraw/zinc/14/09/38/1007140938.db2.gz CHAGIEMZAXMQNZ-DQLDELGASA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114363 1007140946 /nfs/dbraw/zinc/14/09/46/1007140946.db2.gz CHAGIEMZAXMQNZ-DQLDELGASA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114363 1007140947 /nfs/dbraw/zinc/14/09/47/1007140947.db2.gz CHAGIEMZAXMQNZ-DQLDELGASA-N 2 2 422.976 3.598 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115103 1007142959 /nfs/dbraw/zinc/14/29/59/1007142959.db2.gz CTYYIFIEVJJUDS-OFAXGOBFSA-N 2 2 416.610 3.735 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115103 1007142963 /nfs/dbraw/zinc/14/29/63/1007142963.db2.gz CTYYIFIEVJJUDS-OFAXGOBFSA-N 2 2 416.610 3.735 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119340 1007151812 /nfs/dbraw/zinc/15/18/12/1007151812.db2.gz AMXUCEGHNNTNOI-XZOQPEGZSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119340 1007151816 /nfs/dbraw/zinc/15/18/16/1007151816.db2.gz AMXUCEGHNNTNOI-XZOQPEGZSA-N 2 2 423.605 3.713 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122084 1007155124 /nfs/dbraw/zinc/15/51/24/1007155124.db2.gz QFBJZRVTIAOZGP-NHTMILBNSA-N 2 2 414.638 3.986 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122084 1007155131 /nfs/dbraw/zinc/15/51/31/1007155131.db2.gz QFBJZRVTIAOZGP-NHTMILBNSA-N 2 2 414.638 3.986 20 0 HHADLP CN(C(=O)N[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122564 1007155813 /nfs/dbraw/zinc/15/58/13/1007155813.db2.gz SWQCCVGZSZRQGW-UHOSZYNNSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)N[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122564 1007155818 /nfs/dbraw/zinc/15/58/18/1007155818.db2.gz SWQCCVGZSZRQGW-UHOSZYNNSA-N 2 2 400.558 3.543 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ncc(Br)s3)cc2)CC1 ZINC000535230496 1007283381 /nfs/dbraw/zinc/28/33/81/1007283381.db2.gz PEYOAMPFARIZLG-HNNXBMFYSA-N 2 2 423.424 3.894 20 0 HHADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000539051873 1007348097 /nfs/dbraw/zinc/34/80/97/1007348097.db2.gz CONTUXIMDVIDDG-FQEVSTJZSA-N 2 2 411.565 3.940 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539061994 1007354596 /nfs/dbraw/zinc/35/45/96/1007354596.db2.gz QCLBQUTWMBLPNO-JUXOCIIHSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539061994 1007354607 /nfs/dbraw/zinc/35/46/07/1007354607.db2.gz QCLBQUTWMBLPNO-JUXOCIIHSA-N 2 2 421.507 3.752 20 0 HHADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539076257 1007368282 /nfs/dbraw/zinc/36/82/82/1007368282.db2.gz CNBWDUUACDMRRW-FGZHOGPDSA-N 2 2 409.578 3.585 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2ccccc2c1 ZINC000539077683 1007369080 /nfs/dbraw/zinc/36/90/80/1007369080.db2.gz RERUHIWGGWVPMI-XXBNENTESA-N 2 2 417.557 3.786 20 0 HHADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000539078130 1007369328 /nfs/dbraw/zinc/36/93/28/1007369328.db2.gz MUPBZDZIBHHOBI-NHCUHLMSSA-N 2 2 409.578 3.558 20 0 HHADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)cc1 ZINC000539079006 1007370111 /nfs/dbraw/zinc/37/01/11/1007370111.db2.gz QGUXUMLCSULOLJ-UXHICEINSA-N 2 2 415.969 3.676 20 0 HHADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1OCc1ccccc1 ZINC000539121200 1007409342 /nfs/dbraw/zinc/40/93/42/1007409342.db2.gz DDBCYARNVFRFMX-HXUWFJFHSA-N 2 2 417.557 3.658 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@@H](C)O1 ZINC000539150381 1007446727 /nfs/dbraw/zinc/44/67/27/1007446727.db2.gz ZSHRDBBADBKZQV-QZTJIDSGSA-N 2 2 407.624 3.891 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cs2)o1 ZINC000539149585 1007446811 /nfs/dbraw/zinc/44/68/11/1007446811.db2.gz STKYHCFDCUPPON-HDICACEKSA-N 2 2 419.591 3.802 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cs2)o1 ZINC000539149585 1007446821 /nfs/dbraw/zinc/44/68/21/1007446821.db2.gz STKYHCFDCUPPON-HDICACEKSA-N 2 2 419.591 3.802 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000539235178 1007529006 /nfs/dbraw/zinc/52/90/06/1007529006.db2.gz VUHLWUUMNMCMDI-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000539235178 1007529014 /nfs/dbraw/zinc/52/90/14/1007529014.db2.gz VUHLWUUMNMCMDI-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4cc(Cl)ccc43)cc2)CC1 ZINC000539307266 1007604810 /nfs/dbraw/zinc/60/48/10/1007604810.db2.gz RKQIEWXAQKSJAQ-NRFANRHFSA-N 2 2 413.949 3.731 20 0 HHADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000539327205 1007627139 /nfs/dbraw/zinc/62/71/39/1007627139.db2.gz WGMYPVPCQTUMRY-QHCPKHFHSA-N 2 2 417.500 3.722 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535655294 1007667896 /nfs/dbraw/zinc/66/78/96/1007667896.db2.gz NOKQAJASRZXCND-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535655294 1007667903 /nfs/dbraw/zinc/66/79/03/1007667903.db2.gz NOKQAJASRZXCND-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1nc2c(s1)CCC2 ZINC000535682435 1007712962 /nfs/dbraw/zinc/71/29/62/1007712962.db2.gz ZRLHAFVXEBEMSR-UHFFFAOYSA-N 2 2 410.587 3.558 20 0 HHADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1nc2c(s1)CCC2 ZINC000535682435 1007712975 /nfs/dbraw/zinc/71/29/75/1007712975.db2.gz ZRLHAFVXEBEMSR-UHFFFAOYSA-N 2 2 410.587 3.558 20 0 HHADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000533483173 1007791825 /nfs/dbraw/zinc/79/18/25/1007791825.db2.gz GJRDXFJMBPFKID-JOCHJYFZSA-N 2 2 410.587 3.714 20 0 HHADLP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000533483173 1007791828 /nfs/dbraw/zinc/79/18/28/1007791828.db2.gz GJRDXFJMBPFKID-JOCHJYFZSA-N 2 2 410.587 3.714 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517596292 1007798326 /nfs/dbraw/zinc/79/83/26/1007798326.db2.gz RJIMBYDJAWGTMQ-HXUWFJFHSA-N 2 2 403.958 3.671 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000517596292 1007798332 /nfs/dbraw/zinc/79/83/32/1007798332.db2.gz RJIMBYDJAWGTMQ-HXUWFJFHSA-N 2 2 403.958 3.671 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000535800109 1007805888 /nfs/dbraw/zinc/80/58/88/1007805888.db2.gz RAOJYRLQMOLBHO-AYOQOUSVSA-N 2 2 408.384 3.527 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000535800109 1007805896 /nfs/dbraw/zinc/80/58/96/1007805896.db2.gz RAOJYRLQMOLBHO-AYOQOUSVSA-N 2 2 408.384 3.527 20 0 HHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495124 1007806161 /nfs/dbraw/zinc/80/61/61/1007806161.db2.gz FKEFQCAIQKNDFP-ROUUACIJSA-N 2 2 414.363 3.572 20 0 HHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495124 1007806175 /nfs/dbraw/zinc/80/61/75/1007806175.db2.gz FKEFQCAIQKNDFP-ROUUACIJSA-N 2 2 414.363 3.572 20 0 HHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc21 ZINC000539495317 1007807371 /nfs/dbraw/zinc/80/73/71/1007807371.db2.gz LNUBHPNPUSBJIC-GOSISDBHSA-N 2 2 422.529 3.616 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535810326 1007821414 /nfs/dbraw/zinc/82/14/14/1007821414.db2.gz CVQRAHWCEBBKLZ-JXFKEZNVSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535810326 1007821425 /nfs/dbraw/zinc/82/14/25/1007821425.db2.gz CVQRAHWCEBBKLZ-JXFKEZNVSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810326 1007821438 /nfs/dbraw/zinc/82/14/38/1007821438.db2.gz CVQRAHWCEBBKLZ-JXFKEZNVSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810326 1007821453 /nfs/dbraw/zinc/82/14/53/1007821453.db2.gz CVQRAHWCEBBKLZ-JXFKEZNVSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535810329 1007821591 /nfs/dbraw/zinc/82/15/91/1007821591.db2.gz CVQRAHWCEBBKLZ-UZLBHIALSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535810329 1007821600 /nfs/dbraw/zinc/82/16/00/1007821600.db2.gz CVQRAHWCEBBKLZ-UZLBHIALSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810329 1007821607 /nfs/dbraw/zinc/82/16/07/1007821607.db2.gz CVQRAHWCEBBKLZ-UZLBHIALSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810329 1007821614 /nfs/dbraw/zinc/82/16/14/1007821614.db2.gz CVQRAHWCEBBKLZ-UZLBHIALSA-N 2 2 403.368 3.859 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822943 1007837715 /nfs/dbraw/zinc/83/77/15/1007837715.db2.gz ITQAMQJGRWDBOM-DENIHFKCSA-N 2 2 404.514 3.906 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822943 1007837723 /nfs/dbraw/zinc/83/77/23/1007837723.db2.gz ITQAMQJGRWDBOM-DENIHFKCSA-N 2 2 404.514 3.906 20 0 HHADLP CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000539546227 1007857730 /nfs/dbraw/zinc/85/77/30/1007857730.db2.gz LCENYZWQCAANGM-XMMPIXPASA-N 2 2 406.530 3.853 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850578 1007864989 /nfs/dbraw/zinc/86/49/89/1007864989.db2.gz GLLOBXQXIFERFJ-ZEQRLZLVSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850578 1007864997 /nfs/dbraw/zinc/86/49/97/1007864997.db2.gz GLLOBXQXIFERFJ-ZEQRLZLVSA-N 2 2 423.605 3.656 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851729 1007866095 /nfs/dbraw/zinc/86/60/95/1007866095.db2.gz NKZJQRIUKHTGDH-WTOYTKOKSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851729 1007866104 /nfs/dbraw/zinc/86/61/04/1007866104.db2.gz NKZJQRIUKHTGDH-WTOYTKOKSA-N 2 2 422.013 3.903 20 0 HHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000533563043 1007873963 /nfs/dbraw/zinc/87/39/63/1007873963.db2.gz DUEWLVSYWSKVHR-QHCPKHFHSA-N 2 2 412.965 3.654 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865248 1007880360 /nfs/dbraw/zinc/88/03/60/1007880360.db2.gz GLPBHLPRTBSTPW-VJBWXMMDSA-N 2 2 424.674 3.806 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865248 1007880377 /nfs/dbraw/zinc/88/03/77/1007880377.db2.gz GLPBHLPRTBSTPW-VJBWXMMDSA-N 2 2 424.674 3.806 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866393 1007882861 /nfs/dbraw/zinc/88/28/61/1007882861.db2.gz OANMYMGPGVSAHY-FGZHOGPDSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866393 1007882866 /nfs/dbraw/zinc/88/28/66/1007882866.db2.gz OANMYMGPGVSAHY-FGZHOGPDSA-N 2 2 421.029 3.861 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570902 1007887436 /nfs/dbraw/zinc/88/74/36/1007887436.db2.gz YDZWJVKXGKEJJR-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570902 1007887448 /nfs/dbraw/zinc/88/74/48/1007887448.db2.gz YDZWJVKXGKEJJR-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878782 1007898066 /nfs/dbraw/zinc/89/80/66/1007898066.db2.gz XIVNIJQVOVNASP-BJKOFHAPSA-N 2 2 414.638 3.770 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878782 1007898076 /nfs/dbraw/zinc/89/80/76/1007898076.db2.gz XIVNIJQVOVNASP-BJKOFHAPSA-N 2 2 414.638 3.770 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878784 1007898613 /nfs/dbraw/zinc/89/86/13/1007898613.db2.gz XIVNIJQVOVNASP-RPWUZVMVSA-N 2 2 414.638 3.770 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878784 1007898630 /nfs/dbraw/zinc/89/86/30/1007898630.db2.gz XIVNIJQVOVNASP-RPWUZVMVSA-N 2 2 414.638 3.770 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000517702867 1007917148 /nfs/dbraw/zinc/91/71/48/1007917148.db2.gz LXKFDUOAXWGOQP-LJQANCHMSA-N 2 2 422.564 3.741 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000517702867 1007917152 /nfs/dbraw/zinc/91/71/52/1007917152.db2.gz LXKFDUOAXWGOQP-LJQANCHMSA-N 2 2 422.564 3.741 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647893 1007956895 /nfs/dbraw/zinc/95/68/95/1007956895.db2.gz FHHMWSHBGSPPLT-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647893 1007956906 /nfs/dbraw/zinc/95/69/06/1007956906.db2.gz FHHMWSHBGSPPLT-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)[C@H]1C[C@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647777 1007957239 /nfs/dbraw/zinc/95/72/39/1007957239.db2.gz LESJAWFJVZTXOF-BIATYSSJSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)[C@H]1C[C@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647777 1007957242 /nfs/dbraw/zinc/95/72/42/1007957242.db2.gz LESJAWFJVZTXOF-BIATYSSJSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648515 1007958093 /nfs/dbraw/zinc/95/80/93/1007958093.db2.gz KBLRMJIGBLQBRZ-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648515 1007958099 /nfs/dbraw/zinc/95/80/99/1007958099.db2.gz KBLRMJIGBLQBRZ-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648404 1007958480 /nfs/dbraw/zinc/95/84/80/1007958480.db2.gz NFKFXNHQFSMUDP-RBUKOAKNSA-N 2 2 406.640 3.984 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648404 1007958517 /nfs/dbraw/zinc/95/85/17/1007958517.db2.gz NFKFXNHQFSMUDP-RBUKOAKNSA-N 2 2 406.640 3.984 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649658 1007960942 /nfs/dbraw/zinc/96/09/42/1007960942.db2.gz VFCWDEANMNQCPU-PKTZIBPZSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649658 1007960964 /nfs/dbraw/zinc/96/09/64/1007960964.db2.gz VFCWDEANMNQCPU-PKTZIBPZSA-N 2 2 410.606 3.814 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000539658408 1007973972 /nfs/dbraw/zinc/97/39/72/1007973972.db2.gz YKARADMOVIMZJQ-RXVVDRJESA-N 2 2 420.561 3.708 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662190 1007977786 /nfs/dbraw/zinc/97/77/86/1007977786.db2.gz CRSXEHSYVOFOPY-YADHBBJMSA-N 2 2 418.651 3.757 20 0 HHADLP CN(C(=O)NCCSc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662190 1007977791 /nfs/dbraw/zinc/97/77/91/1007977791.db2.gz CRSXEHSYVOFOPY-YADHBBJMSA-N 2 2 418.651 3.757 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673319 1007992841 /nfs/dbraw/zinc/99/28/41/1007992841.db2.gz NGJNBTYFKHMKNF-YFXJRYMSSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673319 1007992846 /nfs/dbraw/zinc/99/28/46/1007992846.db2.gz NGJNBTYFKHMKNF-YFXJRYMSSA-N 2 2 418.601 3.908 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673376 1007993085 /nfs/dbraw/zinc/99/30/85/1007993085.db2.gz PXMUVOPHZXHQDA-DHIUTWEWSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673376 1007993101 /nfs/dbraw/zinc/99/31/01/1007993101.db2.gz PXMUVOPHZXHQDA-DHIUTWEWSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)N[C@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533674183 1007994215 /nfs/dbraw/zinc/99/42/15/1007994215.db2.gz KHGHHTCLHAFBTK-PWRODBHTSA-N 2 2 416.635 3.812 20 0 HHADLP CN(C(=O)N[C@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533674183 1007994218 /nfs/dbraw/zinc/99/42/18/1007994218.db2.gz KHGHHTCLHAFBTK-PWRODBHTSA-N 2 2 416.635 3.812 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539708083 1008026605 /nfs/dbraw/zinc/02/66/05/1008026605.db2.gz RPIXNNAGRBLHHP-RTWAWAEBSA-N 2 2 403.636 3.747 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539708083 1008026611 /nfs/dbraw/zinc/02/66/11/1008026611.db2.gz RPIXNNAGRBLHHP-RTWAWAEBSA-N 2 2 403.636 3.747 20 0 HHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000535987834 1008026749 /nfs/dbraw/zinc/02/67/49/1008026749.db2.gz DMIJHGBKIRJQQT-CHWSQXEVSA-N 2 2 415.426 3.606 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000518099846 1008158821 /nfs/dbraw/zinc/15/88/21/1008158821.db2.gz IWMRAIBQNDHULT-WTGUMLROSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000518099846 1008158822 /nfs/dbraw/zinc/15/88/22/1008158822.db2.gz IWMRAIBQNDHULT-WTGUMLROSA-N 2 2 402.583 3.680 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000540015396 1008238735 /nfs/dbraw/zinc/23/87/35/1008238735.db2.gz XNGTVHSRYPIGAY-UHFFFAOYSA-N 2 2 423.605 3.975 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1)CC1CC1 ZINC000540015396 1008238740 /nfs/dbraw/zinc/23/87/40/1008238740.db2.gz XNGTVHSRYPIGAY-UHFFFAOYSA-N 2 2 423.605 3.975 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332709 1008265091 /nfs/dbraw/zinc/26/50/91/1008265091.db2.gz CRIBZLJPNNTNON-WOJBJXKFSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332709 1008265095 /nfs/dbraw/zinc/26/50/95/1008265095.db2.gz CRIBZLJPNNTNON-WOJBJXKFSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000518348363 1008271342 /nfs/dbraw/zinc/27/13/42/1008271342.db2.gz XQFNJGVZQYMFQM-OAQYLSRUSA-N 2 2 403.929 3.863 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153751 1008314179 /nfs/dbraw/zinc/31/41/79/1008314179.db2.gz PFRNTFBJNJNIPY-NLFFAJNJSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153751 1008314182 /nfs/dbraw/zinc/31/41/82/1008314182.db2.gz PFRNTFBJNJNIPY-NLFFAJNJSA-N 2 2 409.574 3.777 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000540176681 1008323640 /nfs/dbraw/zinc/32/36/40/1008323640.db2.gz VQBHCTZUMOWUDO-PGRDOPGGSA-N 2 2 405.546 3.737 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000540176681 1008323647 /nfs/dbraw/zinc/32/36/47/1008323647.db2.gz VQBHCTZUMOWUDO-PGRDOPGGSA-N 2 2 405.546 3.737 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000540217435 1008340064 /nfs/dbraw/zinc/34/00/64/1008340064.db2.gz PZXHSCSZDKEWQZ-UHFFFAOYSA-N 2 2 422.573 3.642 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000540217435 1008340068 /nfs/dbraw/zinc/34/00/68/1008340068.db2.gz PZXHSCSZDKEWQZ-UHFFFAOYSA-N 2 2 422.573 3.642 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540242423 1008349638 /nfs/dbraw/zinc/34/96/38/1008349638.db2.gz KJUUGWXLNMYTMQ-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540242423 1008349640 /nfs/dbraw/zinc/34/96/40/1008349640.db2.gz KJUUGWXLNMYTMQ-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000518816831 1008430633 /nfs/dbraw/zinc/43/06/33/1008430633.db2.gz SXFQDOCFBJXDHG-OAQYLSRUSA-N 2 2 420.479 3.845 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000518816831 1008430637 /nfs/dbraw/zinc/43/06/37/1008430637.db2.gz SXFQDOCFBJXDHG-OAQYLSRUSA-N 2 2 420.479 3.845 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540525772 1008467368 /nfs/dbraw/zinc/46/73/68/1008467368.db2.gz KMPFYETZKVHHLW-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540525772 1008467371 /nfs/dbraw/zinc/46/73/71/1008467371.db2.gz KMPFYETZKVHHLW-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000548984621 1008562307 /nfs/dbraw/zinc/56/23/07/1008562307.db2.gz TWXYOOOAQWBSIR-NRFANRHFSA-N 2 2 411.550 3.765 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000548984621 1008562318 /nfs/dbraw/zinc/56/23/18/1008562318.db2.gz TWXYOOOAQWBSIR-NRFANRHFSA-N 2 2 411.550 3.765 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cnn1-c1cc(C)ccc1C ZINC000519198814 1008602073 /nfs/dbraw/zinc/60/20/73/1008602073.db2.gz XWPJMHMCSIEGMQ-VEEZFSHISA-N 2 2 423.605 3.532 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cnn1-c1cc(C)ccc1C ZINC000519198814 1008602076 /nfs/dbraw/zinc/60/20/76/1008602076.db2.gz XWPJMHMCSIEGMQ-VEEZFSHISA-N 2 2 423.605 3.532 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039520 1008621169 /nfs/dbraw/zinc/62/11/69/1008621169.db2.gz OKRMSKTUJLQFBR-OYRHEFFESA-N 2 2 403.615 3.843 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039520 1008621179 /nfs/dbraw/zinc/62/11/79/1008621179.db2.gz OKRMSKTUJLQFBR-OYRHEFFESA-N 2 2 403.615 3.843 20 0 HHADLP COc1ccc([C@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(C)C)cc1 ZINC000543060828 1008638193 /nfs/dbraw/zinc/63/81/93/1008638193.db2.gz MFIUCBWSLJCXNT-XMMPIXPASA-N 2 2 412.578 3.897 20 0 HHADLP CSc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000543106059 1008678533 /nfs/dbraw/zinc/67/85/33/1008678533.db2.gz FGXLJUVULUWGLD-GOSISDBHSA-N 2 2 404.624 3.719 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000549166641 1008738992 /nfs/dbraw/zinc/73/89/92/1008738992.db2.gz RMFPYEMNMNWWPS-QHCPKHFHSA-N 2 2 415.622 3.732 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000549166641 1008739001 /nfs/dbraw/zinc/73/90/01/1008739001.db2.gz RMFPYEMNMNWWPS-QHCPKHFHSA-N 2 2 415.622 3.732 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H](Cc3ccccc3)C3CC3)n2)CC1 ZINC000519477358 1008851878 /nfs/dbraw/zinc/85/18/78/1008851878.db2.gz RVIOUIHGRZMMFH-NRFANRHFSA-N 2 2 412.603 3.924 20 0 HHADLP C[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000543279872 1008854116 /nfs/dbraw/zinc/85/41/16/1008854116.db2.gz CMDGFJVIBNGLII-HXUWFJFHSA-N 2 2 412.553 3.881 20 0 HHADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000543279872 1008854132 /nfs/dbraw/zinc/85/41/32/1008854132.db2.gz CMDGFJVIBNGLII-HXUWFJFHSA-N 2 2 412.553 3.881 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549372731 1008955798 /nfs/dbraw/zinc/95/57/98/1008955798.db2.gz QPAYXFBOLGUGTI-UHFFFAOYSA-N 2 2 421.998 3.953 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549372731 1008955820 /nfs/dbraw/zinc/95/58/20/1008955820.db2.gz QPAYXFBOLGUGTI-UHFFFAOYSA-N 2 2 421.998 3.953 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000543423340 1009013799 /nfs/dbraw/zinc/01/37/99/1009013799.db2.gz XYPOWXPBDMJJGH-OFVILXPXSA-N 2 2 408.590 3.579 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047711 1009071656 /nfs/dbraw/zinc/07/16/56/1009071656.db2.gz WCKAOYDRTAUPIP-WTIAFYNJSA-N 2 2 400.611 3.769 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047711 1009071669 /nfs/dbraw/zinc/07/16/69/1009071669.db2.gz WCKAOYDRTAUPIP-WTIAFYNJSA-N 2 2 400.611 3.769 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1c(C)noc1C ZINC000543508797 1009096861 /nfs/dbraw/zinc/09/68/61/1009096861.db2.gz XVXWQPYXOOYKSY-UXHICEINSA-N 2 2 418.969 3.939 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1c(C)noc1C ZINC000543508804 1009098622 /nfs/dbraw/zinc/09/86/22/1009098622.db2.gz XVXWQPYXOOYKSY-WOJBJXKFSA-N 2 2 418.969 3.939 20 0 HHADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000546102993 1009125267 /nfs/dbraw/zinc/12/52/67/1009125267.db2.gz XSMSQFXXUYVJNT-UHFFFAOYSA-N 2 2 416.569 3.712 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549589757 1009216848 /nfs/dbraw/zinc/21/68/48/1009216848.db2.gz AVFBRELDXQOOAU-BJKOFHAPSA-N 2 2 417.557 3.583 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549589757 1009216857 /nfs/dbraw/zinc/21/68/57/1009216857.db2.gz AVFBRELDXQOOAU-BJKOFHAPSA-N 2 2 417.557 3.583 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941424 1009535027 /nfs/dbraw/zinc/53/50/27/1009535027.db2.gz OGFMBVAUWNRUEF-ZEVBXJOLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941424 1009535033 /nfs/dbraw/zinc/53/50/33/1009535033.db2.gz OGFMBVAUWNRUEF-ZEVBXJOLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941424 1009535045 /nfs/dbraw/zinc/53/50/45/1009535045.db2.gz OGFMBVAUWNRUEF-ZEVBXJOLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941424 1009535053 /nfs/dbraw/zinc/53/50/53/1009535053.db2.gz OGFMBVAUWNRUEF-ZEVBXJOLSA-N 2 2 424.511 3.507 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000543944954 1009538727 /nfs/dbraw/zinc/53/87/27/1009538727.db2.gz WPBVQOCNWOXTEM-GZGNHOFSSA-N 2 2 401.639 3.842 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549945144 1009554401 /nfs/dbraw/zinc/55/44/01/1009554401.db2.gz WMZGIHGDPRVRGS-VXKWHMMOSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1coc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549945144 1009554410 /nfs/dbraw/zinc/55/44/10/1009554410.db2.gz WMZGIHGDPRVRGS-VXKWHMMOSA-N 2 2 412.578 3.911 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000543989357 1009587316 /nfs/dbraw/zinc/58/73/16/1009587316.db2.gz FIIGQOBQDDJEJC-QFIPXVFZSA-N 2 2 423.586 3.738 20 0 HHADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000543994633 1009594203 /nfs/dbraw/zinc/59/42/03/1009594203.db2.gz AMNUHUHCBXIMMO-AVRDEDQJSA-N 2 2 409.530 3.617 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035760 1009636752 /nfs/dbraw/zinc/63/67/52/1009636752.db2.gz VWNYSAWAFVAWRO-PMACEKPBSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035760 1009636760 /nfs/dbraw/zinc/63/67/60/1009636760.db2.gz VWNYSAWAFVAWRO-PMACEKPBSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546688282 1009681488 /nfs/dbraw/zinc/68/14/88/1009681488.db2.gz GTWZOCPJBNSVCK-ODAXIHTASA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546688282 1009681496 /nfs/dbraw/zinc/68/14/96/1009681496.db2.gz GTWZOCPJBNSVCK-ODAXIHTASA-N 2 2 401.570 3.725 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000546835417 1009792813 /nfs/dbraw/zinc/79/28/13/1009792813.db2.gz YDPLWBCKJBTAEM-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000546835417 1009792827 /nfs/dbraw/zinc/79/28/27/1009792827.db2.gz YDPLWBCKJBTAEM-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358477 1009984645 /nfs/dbraw/zinc/98/46/45/1009984645.db2.gz ATPKPXPQRNCCAF-GBXCKJPGSA-N 2 2 420.532 3.640 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358477 1009984651 /nfs/dbraw/zinc/98/46/51/1009984651.db2.gz ATPKPXPQRNCCAF-GBXCKJPGSA-N 2 2 420.532 3.640 20 0 HHADLP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419773 1010037422 /nfs/dbraw/zinc/03/74/22/1010037422.db2.gz NBGUHSMNFWNYPQ-SJORKVTESA-N 2 2 400.592 3.892 20 0 HHADLP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419773 1010037448 /nfs/dbraw/zinc/03/74/48/1010037448.db2.gz NBGUHSMNFWNYPQ-SJORKVTESA-N 2 2 400.592 3.892 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000550622841 1010070228 /nfs/dbraw/zinc/07/02/28/1010070228.db2.gz YRUXLVNZCWQWHE-KMDXXIMOSA-N 2 2 407.558 3.521 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000550622841 1010070239 /nfs/dbraw/zinc/07/02/39/1010070239.db2.gz YRUXLVNZCWQWHE-KMDXXIMOSA-N 2 2 407.558 3.521 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c2)cc[nH+]1 ZINC000544521772 1010151068 /nfs/dbraw/zinc/15/10/68/1010151068.db2.gz DVSUVGWZNDOUPG-NRFANRHFSA-N 2 2 407.493 3.569 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+](Cc2ccco2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000521187341 1010218697 /nfs/dbraw/zinc/21/86/97/1010218697.db2.gz KFPMIMWZBYBVIK-HSZRJFAPSA-N 2 2 413.562 3.842 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](Cc2ccco2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000521187341 1010218703 /nfs/dbraw/zinc/21/87/03/1010218703.db2.gz KFPMIMWZBYBVIK-HSZRJFAPSA-N 2 2 413.562 3.842 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000547326505 1010254075 /nfs/dbraw/zinc/25/40/75/1010254075.db2.gz IYROQAAYQKJKAM-AWEZNQCLSA-N 2 2 413.356 3.526 20 0 HHADLP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000521358870 1010330975 /nfs/dbraw/zinc/33/09/75/1010330975.db2.gz DTOIMSAFYFETPH-LJQANCHMSA-N 2 2 411.977 3.821 20 0 HHADLP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000521358870 1010330986 /nfs/dbraw/zinc/33/09/86/1010330986.db2.gz DTOIMSAFYFETPH-LJQANCHMSA-N 2 2 411.977 3.821 20 0 HHADLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000521358870 1010331005 /nfs/dbraw/zinc/33/10/05/1010331005.db2.gz DTOIMSAFYFETPH-LJQANCHMSA-N 2 2 411.977 3.821 20 0 HHADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000521358870 1010331017 /nfs/dbraw/zinc/33/10/17/1010331017.db2.gz DTOIMSAFYFETPH-LJQANCHMSA-N 2 2 411.977 3.821 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC[C@H](C)C3)c2C1 ZINC000544737508 1010343558 /nfs/dbraw/zinc/34/35/58/1010343558.db2.gz MMXZODFLRWMHLN-IBGZPJMESA-N 2 2 408.590 3.855 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC[C@H](C)C3)c2C1 ZINC000544737508 1010343568 /nfs/dbraw/zinc/34/35/68/1010343568.db2.gz MMXZODFLRWMHLN-IBGZPJMESA-N 2 2 408.590 3.855 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)c2C1 ZINC000544737508 1010343580 /nfs/dbraw/zinc/34/35/80/1010343580.db2.gz MMXZODFLRWMHLN-IBGZPJMESA-N 2 2 408.590 3.855 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)c2C1 ZINC000544737508 1010343592 /nfs/dbraw/zinc/34/35/92/1010343592.db2.gz MMXZODFLRWMHLN-IBGZPJMESA-N 2 2 408.590 3.855 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000547750003 1010411285 /nfs/dbraw/zinc/41/12/85/1010411285.db2.gz JVPRSPSHYDJQCI-UHFFFAOYSA-N 2 2 401.942 3.568 20 0 HHADLP CCCC[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000544828313 1010419240 /nfs/dbraw/zinc/41/92/40/1010419240.db2.gz URAZCYWBWJZRIQ-UHFFFAOYSA-N 2 2 410.400 3.684 20 0 HHADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000544828313 1010419246 /nfs/dbraw/zinc/41/92/46/1010419246.db2.gz URAZCYWBWJZRIQ-UHFFFAOYSA-N 2 2 410.400 3.684 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000548169453 1010550364 /nfs/dbraw/zinc/55/03/64/1010550364.db2.gz AEZGJUYKXZDDOE-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000548169453 1010550374 /nfs/dbraw/zinc/55/03/74/1010550374.db2.gz AEZGJUYKXZDDOE-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(CC(F)(F)F)CC3)CC2)cc1 ZINC000551407185 1010566720 /nfs/dbraw/zinc/56/67/20/1010566720.db2.gz UNHFOHOXDDZMAG-UHFFFAOYSA-N 2 2 411.512 3.694 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(CC(F)(F)F)CC3)CC2)cc1 ZINC000551407185 1010566732 /nfs/dbraw/zinc/56/67/32/1010566732.db2.gz UNHFOHOXDDZMAG-UHFFFAOYSA-N 2 2 411.512 3.694 20 0 HHADLP c1[nH+]c([C@H]2CCCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448174 1010591665 /nfs/dbraw/zinc/59/16/65/1010591665.db2.gz LSCUJMYIMFWMTR-LADGPHEKSA-N 2 2 408.590 3.690 20 0 HHADLP c1[nH+]c([C@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448174 1010591672 /nfs/dbraw/zinc/59/16/72/1010591672.db2.gz LSCUJMYIMFWMTR-LADGPHEKSA-N 2 2 408.590 3.690 20 0 HHADLP c1[nH+]c([C@@H]2CCCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448173 1010591739 /nfs/dbraw/zinc/59/17/39/1010591739.db2.gz LSCUJMYIMFWMTR-ISKFKSNPSA-N 2 2 408.590 3.690 20 0 HHADLP c1[nH+]c([C@@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448173 1010591747 /nfs/dbraw/zinc/59/17/47/1010591747.db2.gz LSCUJMYIMFWMTR-ISKFKSNPSA-N 2 2 408.590 3.690 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548322901 1010594615 /nfs/dbraw/zinc/59/46/15/1010594615.db2.gz ISUFKQQDDUGUEX-LEWJYISDSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548322901 1010594622 /nfs/dbraw/zinc/59/46/22/1010594622.db2.gz ISUFKQQDDUGUEX-LEWJYISDSA-N 2 2 418.630 3.730 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000545209135 1010685005 /nfs/dbraw/zinc/68/50/05/1010685005.db2.gz ZFZIUZDHAUJGRD-UHFFFAOYSA-N 2 2 417.775 3.652 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000548932317 1010767013 /nfs/dbraw/zinc/76/70/13/1010767013.db2.gz ZNMSFRHLKAMRCH-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000548932317 1010767018 /nfs/dbraw/zinc/76/70/18/1010767018.db2.gz ZNMSFRHLKAMRCH-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000522292051 1010909968 /nfs/dbraw/zinc/90/99/68/1010909968.db2.gz FFWANKTUUYDNBI-VQTJNVASSA-N 2 2 409.578 3.599 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430956 1011005902 /nfs/dbraw/zinc/00/59/02/1011005902.db2.gz MUQBPJBHDCPNOT-FXAWDEMLSA-N 2 2 407.493 3.646 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430956 1011005910 /nfs/dbraw/zinc/00/59/10/1011005910.db2.gz MUQBPJBHDCPNOT-FXAWDEMLSA-N 2 2 407.493 3.646 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000522744900 1011190739 /nfs/dbraw/zinc/19/07/39/1011190739.db2.gz UWVBZDWHJIHEMN-UHFFFAOYSA-N 2 2 404.514 3.523 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753043 1011195623 /nfs/dbraw/zinc/19/56/23/1011195623.db2.gz ZVUWFDOOPPMJGD-SUMDDJOVSA-N 2 2 423.483 3.673 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753043 1011195626 /nfs/dbraw/zinc/19/56/26/1011195626.db2.gz ZVUWFDOOPPMJGD-SUMDDJOVSA-N 2 2 423.483 3.673 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1Cl ZINC000522756247 1011197639 /nfs/dbraw/zinc/19/76/39/1011197639.db2.gz OTHYJDWWMRQLQA-AWEZNQCLSA-N 2 2 413.393 3.912 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000522836043 1011273499 /nfs/dbraw/zinc/27/34/99/1011273499.db2.gz SPOLMWXPOUMNOQ-UHFFFAOYSA-N 2 2 407.518 3.915 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000540663742 1011318898 /nfs/dbraw/zinc/31/88/98/1011318898.db2.gz AXIHVLRSVGWVAN-XMSQKQJNSA-N 2 2 412.622 3.954 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000540663742 1011318907 /nfs/dbraw/zinc/31/89/07/1011318907.db2.gz AXIHVLRSVGWVAN-XMSQKQJNSA-N 2 2 412.622 3.954 20 0 HHADLP CC(C)c1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000536385468 1011593941 /nfs/dbraw/zinc/59/39/41/1011593941.db2.gz FGJUOPORYRSICQ-UHFFFAOYSA-N 2 2 401.599 3.542 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(CN3CCCC3)cs2)cc1 ZINC000541022431 1011656916 /nfs/dbraw/zinc/65/69/16/1011656916.db2.gz DOKRUVDBFZMUSH-MRXNPFEDSA-N 2 2 424.574 3.522 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541110405 1011758209 /nfs/dbraw/zinc/75/82/09/1011758209.db2.gz YYVVEFWQQYUCSQ-RBUKOAKNSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541110405 1011758219 /nfs/dbraw/zinc/75/82/19/1011758219.db2.gz YYVVEFWQQYUCSQ-RBUKOAKNSA-N 2 2 421.948 3.897 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000523290347 1011769800 /nfs/dbraw/zinc/76/98/00/1011769800.db2.gz FPSGCNAIUZZHBM-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000536676000 1011836878 /nfs/dbraw/zinc/83/68/78/1011836878.db2.gz IBLYZXSFOVBNAV-UHFFFAOYSA-N 2 2 420.189 3.754 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190322 1011863001 /nfs/dbraw/zinc/86/30/01/1011863001.db2.gz KKOFXJHKFQRNNN-NFBKMPQASA-N 2 2 409.578 3.920 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190322 1011863016 /nfs/dbraw/zinc/86/30/16/1011863016.db2.gz KKOFXJHKFQRNNN-NFBKMPQASA-N 2 2 409.578 3.920 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203383 1011873215 /nfs/dbraw/zinc/87/32/15/1011873215.db2.gz VKVYLRIMVCGCTM-UHFFFAOYSA-N 2 2 406.933 3.826 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541249449 1011930022 /nfs/dbraw/zinc/93/00/22/1011930022.db2.gz OELYTDJKNPGFAJ-PKTZIBPZSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541249449 1011930038 /nfs/dbraw/zinc/93/00/38/1011930038.db2.gz OELYTDJKNPGFAJ-PKTZIBPZSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251245 1011933393 /nfs/dbraw/zinc/93/33/93/1011933393.db2.gz KVIKEDJHZYSRJN-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251245 1011933398 /nfs/dbraw/zinc/93/33/98/1011933398.db2.gz KVIKEDJHZYSRJN-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816543 1011973738 /nfs/dbraw/zinc/97/37/38/1011973738.db2.gz AIHGUBAWHWXGLF-NBGIEHNGSA-N 3 2 408.590 3.555 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816543 1011973760 /nfs/dbraw/zinc/97/37/60/1011973760.db2.gz AIHGUBAWHWXGLF-NBGIEHNGSA-N 3 2 408.590 3.555 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816545 1011974190 /nfs/dbraw/zinc/97/41/90/1011974190.db2.gz AIHGUBAWHWXGLF-NLFFAJNJSA-N 3 2 408.590 3.555 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816545 1011974197 /nfs/dbraw/zinc/97/41/97/1011974197.db2.gz AIHGUBAWHWXGLF-NLFFAJNJSA-N 3 2 408.590 3.555 20 0 HHADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000523471742 1011980910 /nfs/dbraw/zinc/98/09/10/1011980910.db2.gz WSEXSYXVWGKGJK-UHFFFAOYSA-N 2 2 401.599 3.725 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552111134 1012128219 /nfs/dbraw/zinc/12/82/19/1012128219.db2.gz RUTXRNKRVRPIFH-HXUWFJFHSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552111134 1012128237 /nfs/dbraw/zinc/12/82/37/1012128237.db2.gz RUTXRNKRVRPIFH-HXUWFJFHSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552111134 1012128243 /nfs/dbraw/zinc/12/82/43/1012128243.db2.gz RUTXRNKRVRPIFH-HXUWFJFHSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552111134 1012128254 /nfs/dbraw/zinc/12/82/54/1012128254.db2.gz RUTXRNKRVRPIFH-HXUWFJFHSA-N 2 2 403.368 3.861 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000523586535 1012138554 /nfs/dbraw/zinc/13/85/54/1012138554.db2.gz QHVDLURUHYRJAI-MRXNPFEDSA-N 2 2 416.957 3.617 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000523587747 1012142591 /nfs/dbraw/zinc/14/25/91/1012142591.db2.gz DLEZNPZVKIVMIT-UHFFFAOYSA-N 2 2 424.549 3.567 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541475258 1012244805 /nfs/dbraw/zinc/24/48/05/1012244805.db2.gz UYADOFXFPMRJSE-VQTJNVASSA-N 2 2 409.578 3.943 20 0 HHADLP C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523733763 1012352229 /nfs/dbraw/zinc/35/22/29/1012352229.db2.gz OSFZHJXBCUHCMA-HXUWFJFHSA-N 2 2 402.542 3.832 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000541564177 1012353008 /nfs/dbraw/zinc/35/30/08/1012353008.db2.gz XSGNRSOFCSOWRX-QFQXNSOFSA-N 2 2 422.617 3.833 20 0 HHADLP COc1ccccc1C[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000541575128 1012366170 /nfs/dbraw/zinc/36/61/70/1012366170.db2.gz KDOMQWLHWTYXON-UHFFFAOYSA-N 2 2 421.585 3.642 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000541645160 1012465865 /nfs/dbraw/zinc/46/58/65/1012465865.db2.gz CVXPUTUYURCCOE-HXUWFJFHSA-N 2 2 411.594 3.582 20 0 HHADLP CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000537127351 1012511428 /nfs/dbraw/zinc/51/14/28/1012511428.db2.gz MENVONXLEUPAHS-QHCPKHFHSA-N 2 2 413.537 3.973 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)cc[nH+]1 ZINC000541682252 1012516671 /nfs/dbraw/zinc/51/66/71/1012516671.db2.gz NWPICVCAWDEWAO-UHFFFAOYSA-N 2 2 415.541 3.923 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)c2)cc[nH+]1 ZINC000541693341 1012538808 /nfs/dbraw/zinc/53/88/08/1012538808.db2.gz DOZIGRUBTJXGSX-UHFFFAOYSA-N 2 2 421.520 3.740 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)c2)cc[nH+]1 ZINC000541693634 1012540275 /nfs/dbraw/zinc/54/02/75/1012540275.db2.gz LMNZKZSUARADCS-UHFFFAOYSA-N 2 2 403.530 3.601 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000537169131 1012572784 /nfs/dbraw/zinc/57/27/84/1012572784.db2.gz KWCPYMXQUUVFSK-UHFFFAOYSA-N 2 2 403.876 3.647 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)n1 ZINC000541746671 1012604484 /nfs/dbraw/zinc/60/44/84/1012604484.db2.gz LBWJILMQWOZWCI-DEOSSOPVSA-N 2 2 423.992 3.570 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3cc4ccccc4o3)c3ccccc3)cn2)CC1 ZINC000537212427 1012634947 /nfs/dbraw/zinc/63/49/47/1012634947.db2.gz DMXLRECUYUCUAZ-DEOSSOPVSA-N 2 2 413.525 3.854 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238639 1012677076 /nfs/dbraw/zinc/67/70/76/1012677076.db2.gz ZAFMZBHDFKSAQT-SFTDATJTSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238639 1012677086 /nfs/dbraw/zinc/67/70/86/1012677086.db2.gz ZAFMZBHDFKSAQT-SFTDATJTSA-N 2 2 418.582 3.505 20 0 HHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000552678379 1012685713 /nfs/dbraw/zinc/68/57/13/1012685713.db2.gz FZOIYKQCPUMMLJ-PMACEKPBSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000552678380 1012686078 /nfs/dbraw/zinc/68/60/78/1012686078.db2.gz FZOIYKQCPUMMLJ-WOJBJXKFSA-N 2 2 413.562 3.740 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000537303582 1012760930 /nfs/dbraw/zinc/76/09/30/1012760930.db2.gz PQVHACFRMFPLTG-LJQANCHMSA-N 2 2 410.965 3.743 20 0 HHADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000541985017 1012861242 /nfs/dbraw/zinc/86/12/42/1012861242.db2.gz VNDDSJDVJPGZHA-BGYRXZFFSA-N 2 2 422.635 3.580 20 0 HHADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000541985017 1012861259 /nfs/dbraw/zinc/86/12/59/1012861259.db2.gz VNDDSJDVJPGZHA-BGYRXZFFSA-N 2 2 422.635 3.580 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542011832 1012895372 /nfs/dbraw/zinc/89/53/72/1012895372.db2.gz ZNDXMGWFKCMUKG-NIKGAXFTSA-N 2 2 421.948 3.977 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542011832 1012895396 /nfs/dbraw/zinc/89/53/96/1012895396.db2.gz ZNDXMGWFKCMUKG-NIKGAXFTSA-N 2 2 421.948 3.977 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542030471 1012927819 /nfs/dbraw/zinc/92/78/19/1012927819.db2.gz BMHMVNQWIBMIPF-DHIUTWEWSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542030471 1012927822 /nfs/dbraw/zinc/92/78/22/1012927822.db2.gz BMHMVNQWIBMIPF-DHIUTWEWSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000553025564 1013001805 /nfs/dbraw/zinc/00/18/05/1013001805.db2.gz DXAUWZIBYNZFRT-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000553025564 1013001822 /nfs/dbraw/zinc/00/18/22/1013001822.db2.gz DXAUWZIBYNZFRT-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684985 1071810866 /nfs/dbraw/zinc/81/08/66/1071810866.db2.gz ZOSQQGXZKUQDBP-JWQCQUIFSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684985 1071810874 /nfs/dbraw/zinc/81/08/74/1071810874.db2.gz ZOSQQGXZKUQDBP-JWQCQUIFSA-N 2 2 416.569 3.860 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)C[C@H](C)O1 ZINC000488241398 1072156970 /nfs/dbraw/zinc/15/69/70/1072156970.db2.gz DVRRIURIHORECJ-ROUUACIJSA-N 2 2 416.541 3.511 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053919 1072228494 /nfs/dbraw/zinc/22/84/94/1072228494.db2.gz QAJXOGRIMRXDFF-PKTZIBPZSA-N 2 2 409.599 3.509 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127053919 1072228503 /nfs/dbraw/zinc/22/85/03/1072228503.db2.gz QAJXOGRIMRXDFF-PKTZIBPZSA-N 2 2 409.599 3.509 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545471 1072666717 /nfs/dbraw/zinc/66/67/17/1072666717.db2.gz IWYOXBVPJAAYMY-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545471 1072666720 /nfs/dbraw/zinc/66/67/20/1072666720.db2.gz IWYOXBVPJAAYMY-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP C[NH+](C)CCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000479381727 1072788986 /nfs/dbraw/zinc/78/89/86/1072788986.db2.gz VLLKDJRLVOJFJS-UHFFFAOYSA-N 2 2 400.486 3.550 20 0 HHADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000554863276 1072922857 /nfs/dbraw/zinc/92/28/57/1072922857.db2.gz PYGPKSXKINSMOT-XMMPIXPASA-N 2 2 417.553 3.807 20 0 HHADLP C[NH+]1CCN(CC[N@H+](Cc2ccccc2)Cc2ccc(Br)cc2F)CC1 ZINC000554887023 1072927180 /nfs/dbraw/zinc/92/71/80/1072927180.db2.gz MSKSXUVANVFPGB-UHFFFAOYSA-N 2 2 420.370 3.838 20 0 HHADLP C[NH+]1CCN(CC[N@@H+](Cc2ccccc2)Cc2ccc(Br)cc2F)CC1 ZINC000554887023 1072927189 /nfs/dbraw/zinc/92/71/89/1072927189.db2.gz MSKSXUVANVFPGB-UHFFFAOYSA-N 2 2 420.370 3.838 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000554944116 1072993106 /nfs/dbraw/zinc/99/31/06/1072993106.db2.gz JZLPSUVGWVHJFC-FCHUYYIVSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000554944116 1072993120 /nfs/dbraw/zinc/99/31/20/1072993120.db2.gz JZLPSUVGWVHJFC-FCHUYYIVSA-N 2 2 424.593 3.673 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000588689813 1073140272 /nfs/dbraw/zinc/14/02/72/1073140272.db2.gz RQTPNFUFBWPYQS-YJBOKZPZSA-N 2 2 407.352 3.601 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000588689813 1073140278 /nfs/dbraw/zinc/14/02/78/1073140278.db2.gz RQTPNFUFBWPYQS-YJBOKZPZSA-N 2 2 407.352 3.601 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000572408374 1073253452 /nfs/dbraw/zinc/25/34/52/1073253452.db2.gz UUAUUPDRWDNARU-AREMUKBSSA-N 2 2 415.585 3.573 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000572408374 1073253459 /nfs/dbraw/zinc/25/34/59/1073253459.db2.gz UUAUUPDRWDNARU-AREMUKBSSA-N 2 2 415.585 3.573 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158068 1073600056 /nfs/dbraw/zinc/60/00/56/1073600056.db2.gz UQCKDVTVYCNMFV-WOIUINJBSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000590480015 1073850899 /nfs/dbraw/zinc/85/08/99/1073850899.db2.gz HFWKRNXWVSRBGG-QFIPXVFZSA-N 2 2 421.585 3.646 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000590846086 1074015357 /nfs/dbraw/zinc/01/53/57/1074015357.db2.gz GWEHWYKEPPQPDF-RBUKOAKNSA-N 2 2 401.580 3.764 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590852505 1074017658 /nfs/dbraw/zinc/01/76/58/1074017658.db2.gz BBGUUCXIRCXCTD-MZKRTTBSSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590852505 1074017667 /nfs/dbraw/zinc/01/76/67/1074017667.db2.gz BBGUUCXIRCXCTD-MZKRTTBSSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000591063901 1074114016 /nfs/dbraw/zinc/11/40/16/1074114016.db2.gz HCVKZHSZRYSCSR-JOCHJYFZSA-N 2 2 421.585 3.898 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000591063901 1074114018 /nfs/dbraw/zinc/11/40/18/1074114018.db2.gz HCVKZHSZRYSCSR-JOCHJYFZSA-N 2 2 421.585 3.898 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522039 1074362284 /nfs/dbraw/zinc/36/22/84/1074362284.db2.gz HTTHCENAUMEBLN-IBGZPJMESA-N 2 2 402.583 3.666 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)CC(C)C ZINC000591522005 1074362426 /nfs/dbraw/zinc/36/24/26/1074362426.db2.gz GYUXNQYNXDJPNI-SIKLNZKXSA-N 2 2 404.599 3.958 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)CC(C)C ZINC000591522003 1074362554 /nfs/dbraw/zinc/36/25/54/1074362554.db2.gz GYUXNQYNXDJPNI-DENIHFKCSA-N 2 2 404.599 3.958 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000591522431 1074364508 /nfs/dbraw/zinc/36/45/08/1074364508.db2.gz WJUOVDZANALABG-WOJBJXKFSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000591522431 1074364517 /nfs/dbraw/zinc/36/45/17/1074364517.db2.gz WJUOVDZANALABG-WOJBJXKFSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000591523341 1074366315 /nfs/dbraw/zinc/36/63/15/1074366315.db2.gz ZMBRBHXUTXTXPJ-UXHICEINSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000591523341 1074366324 /nfs/dbraw/zinc/36/63/24/1074366324.db2.gz ZMBRBHXUTXTXPJ-UXHICEINSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000591586016 1074428272 /nfs/dbraw/zinc/42/82/72/1074428272.db2.gz BSTSIOMTZADOTL-OAHLLOKOSA-N 2 2 415.409 3.764 20 0 HHADLP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000591586016 1074428273 /nfs/dbraw/zinc/42/82/73/1074428273.db2.gz BSTSIOMTZADOTL-OAHLLOKOSA-N 2 2 415.409 3.764 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000760864746 1074461484 /nfs/dbraw/zinc/46/14/84/1074461484.db2.gz ZNGTXUHEKCAIIW-KRWDZBQOSA-N 2 2 422.411 3.826 20 0 HHADLP Cc1cccc(COc2cccc(CC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000592315441 1074722598 /nfs/dbraw/zinc/72/25/98/1074722598.db2.gz QVBFYESHYGOSGC-UHFFFAOYSA-N 2 2 423.601 3.601 20 0 HHADLP Cc1cccc(COc2cccc(CC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000592315441 1074722610 /nfs/dbraw/zinc/72/26/10/1074722610.db2.gz QVBFYESHYGOSGC-UHFFFAOYSA-N 2 2 423.601 3.601 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292507 1075189832 /nfs/dbraw/zinc/18/98/32/1075189832.db2.gz CQLWYSRHMGBQHC-VWNXMTODSA-N 2 2 406.505 3.907 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292507 1075189834 /nfs/dbraw/zinc/18/98/34/1075189834.db2.gz CQLWYSRHMGBQHC-VWNXMTODSA-N 2 2 406.505 3.907 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000593499577 1075204474 /nfs/dbraw/zinc/20/44/74/1075204474.db2.gz ADCWYGBNIKRHBS-UHFFFAOYSA-N 2 2 407.518 3.584 20 0 HHADLP C[C@H]1[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000574482938 1075254227 /nfs/dbraw/zinc/25/42/27/1075254227.db2.gz YPGUKFZZSNTWEA-FPOVZHCZSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@H]1[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000574482938 1075254231 /nfs/dbraw/zinc/25/42/31/1075254231.db2.gz YPGUKFZZSNTWEA-FPOVZHCZSA-N 2 2 419.529 3.747 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594292010 1075278614 /nfs/dbraw/zinc/27/86/14/1075278614.db2.gz ZVJPFAIQJGOSII-XLIONFOSSA-N 2 2 422.976 3.886 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000594988407 1075390900 /nfs/dbraw/zinc/39/09/00/1075390900.db2.gz HBZRCJWCONUSHF-OAQYLSRUSA-N 2 2 417.557 3.739 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000594988407 1075390904 /nfs/dbraw/zinc/39/09/04/1075390904.db2.gz HBZRCJWCONUSHF-OAQYLSRUSA-N 2 2 417.557 3.739 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574963061 1075433819 /nfs/dbraw/zinc/43/38/19/1075433819.db2.gz YZXLFBSOGAOVOS-XUZZJYLKSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574963061 1075433820 /nfs/dbraw/zinc/43/38/20/1075433820.db2.gz YZXLFBSOGAOVOS-XUZZJYLKSA-N 2 2 420.601 3.673 20 0 HHADLP Fc1cccc(CC2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)c1 ZINC000575131666 1075470866 /nfs/dbraw/zinc/47/08/66/1075470866.db2.gz PCTNNPAPWWKHKW-XMMPIXPASA-N 2 2 412.549 3.798 20 0 HHADLP Fc1cccc(CC2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)c1 ZINC000575131666 1075470868 /nfs/dbraw/zinc/47/08/68/1075470868.db2.gz PCTNNPAPWWKHKW-XMMPIXPASA-N 2 2 412.549 3.798 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473656 1075618707 /nfs/dbraw/zinc/61/87/07/1075618707.db2.gz HEPQBXQUJASEDC-PZJWPPBQSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473656 1075618708 /nfs/dbraw/zinc/61/87/08/1075618708.db2.gz HEPQBXQUJASEDC-PZJWPPBQSA-N 2 2 401.595 3.513 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477475 1075619600 /nfs/dbraw/zinc/61/96/00/1075619600.db2.gz GJWZDFDLAFIDNV-SFHVURJKSA-N 2 2 411.571 3.548 20 0 HHADLP CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477475 1075619604 /nfs/dbraw/zinc/61/96/04/1075619604.db2.gz GJWZDFDLAFIDNV-SFHVURJKSA-N 2 2 411.571 3.548 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476586 1075620134 /nfs/dbraw/zinc/62/01/34/1075620134.db2.gz GGHYSEBBYQKQKF-FPOVZHCZSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476586 1075620136 /nfs/dbraw/zinc/62/01/36/1075620136.db2.gz GGHYSEBBYQKQKF-FPOVZHCZSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476585 1075620202 /nfs/dbraw/zinc/62/02/02/1075620202.db2.gz GGHYSEBBYQKQKF-CTNGQTDRSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476585 1075620204 /nfs/dbraw/zinc/62/02/04/1075620204.db2.gz GGHYSEBBYQKQKF-CTNGQTDRSA-N 2 2 401.595 3.513 20 0 HHADLP CN(C(=O)CSc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477850 1075620962 /nfs/dbraw/zinc/62/09/62/1075620962.db2.gz IHAYLUDSZLNNKC-FQEVSTJZSA-N 2 2 403.636 3.703 20 0 HHADLP CN(C(=O)CSc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477850 1075620964 /nfs/dbraw/zinc/62/09/64/1075620964.db2.gz IHAYLUDSZLNNKC-FQEVSTJZSA-N 2 2 403.636 3.703 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193169 1075710291 /nfs/dbraw/zinc/71/02/91/1075710291.db2.gz BDNLYWYBGFYPOC-DFQSSKMNSA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193169 1075710297 /nfs/dbraw/zinc/71/02/97/1075710297.db2.gz BDNLYWYBGFYPOC-DFQSSKMNSA-N 2 2 424.614 3.631 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201141 1075717023 /nfs/dbraw/zinc/71/70/23/1075717023.db2.gz JFQHZEMEJJHQHP-DHLKQENFSA-N 2 2 421.585 3.654 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201141 1075717027 /nfs/dbraw/zinc/71/70/27/1075717027.db2.gz JFQHZEMEJJHQHP-DHLKQENFSA-N 2 2 421.585 3.654 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc[nH+]c(N4CCCCC4)n2)CC3)cs1 ZINC001164691593 719813018 /nfs/dbraw/zinc/81/30/18/719813018.db2.gz IFUVIKYWFMJXMB-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc[nH+]c(N4CCCCC4)n2)CC3)cs1 ZINC001164691593 719813020 /nfs/dbraw/zinc/81/30/20/719813020.db2.gz IFUVIKYWFMJXMB-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164725510 720317893 /nfs/dbraw/zinc/31/78/93/720317893.db2.gz WKWAMUQUZWHGPG-IFMALSPDSA-N 2 2 424.593 3.646 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164725510 720317902 /nfs/dbraw/zinc/31/79/02/720317902.db2.gz WKWAMUQUZWHGPG-IFMALSPDSA-N 2 2 424.593 3.646 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022610 721819854 /nfs/dbraw/zinc/81/98/54/721819854.db2.gz GBACPFQUTPXGFM-CWTQBQHLSA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022610 721819858 /nfs/dbraw/zinc/81/98/58/721819858.db2.gz GBACPFQUTPXGFM-CWTQBQHLSA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022611 721820071 /nfs/dbraw/zinc/82/00/71/721820071.db2.gz GBACPFQUTPXGFM-HFBAHJGVSA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022611 721820073 /nfs/dbraw/zinc/82/00/73/721820073.db2.gz GBACPFQUTPXGFM-HFBAHJGVSA-N 2 2 420.557 3.708 20 0 HHADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)[nH+]2)CC1 ZINC001164977356 722170891 /nfs/dbraw/zinc/17/08/91/722170891.db2.gz MNJFGXUYQJBLGT-RQTOMXEWSA-N 2 2 404.558 3.535 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542115626 1013049345 /nfs/dbraw/zinc/04/93/45/1013049345.db2.gz JPUNMOJKMUPTBC-FQEVSTJZSA-N 2 2 409.578 3.532 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542115626 1013049355 /nfs/dbraw/zinc/04/93/55/1013049355.db2.gz JPUNMOJKMUPTBC-FQEVSTJZSA-N 2 2 409.578 3.532 20 0 HHADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301255548 970836243 /nfs/dbraw/zinc/83/62/43/970836243.db2.gz ABLGLTTYBWAJBD-UHFFFAOYSA-N 2 2 401.308 3.924 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)CC1 ZINC000302099625 971176258 /nfs/dbraw/zinc/17/62/58/971176258.db2.gz KUPPVLAWGAKDDB-QFIPXVFZSA-N 2 2 409.578 3.672 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)CC1 ZINC000302099625 971176261 /nfs/dbraw/zinc/17/62/61/971176261.db2.gz KUPPVLAWGAKDDB-QFIPXVFZSA-N 2 2 409.578 3.672 20 0 HHADLP Cc1[nH+]c2ccccc2c(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1C ZINC000302106960 971177877 /nfs/dbraw/zinc/17/78/77/971177877.db2.gz XVCZWHXZVVNUQA-IBGZPJMESA-N 2 2 418.545 3.559 20 0 HHADLP Cc1[nH+]c2ccccc2c(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000302106960 971177899 /nfs/dbraw/zinc/17/78/99/971177899.db2.gz XVCZWHXZVVNUQA-IBGZPJMESA-N 2 2 418.545 3.559 20 0 HHADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132154 1013063412 /nfs/dbraw/zinc/06/34/12/1013063412.db2.gz MPCSZRDGOIOWEA-LJQANCHMSA-N 2 2 423.561 3.529 20 0 HHADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000302148730 971187611 /nfs/dbraw/zinc/18/76/11/971187611.db2.gz KOIASNYVQHCPBT-QFIPXVFZSA-N 2 2 406.917 3.746 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198627 971555350 /nfs/dbraw/zinc/55/53/50/971555350.db2.gz NUMJPOOFOLIVNY-MSOLQXFVSA-N 2 2 410.389 3.772 20 0 HHADLP O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303198638 971555627 /nfs/dbraw/zinc/55/56/27/971555627.db2.gz HABCGGXTLKPTHR-UHFFFAOYSA-N 2 2 413.949 3.780 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000303210718 971563366 /nfs/dbraw/zinc/56/33/66/971563366.db2.gz RFCBYPMDBLODBV-UHFFFAOYSA-N 2 2 413.562 3.865 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303463333 971767434 /nfs/dbraw/zinc/76/74/34/971767434.db2.gz LYLWXSWCMYMVBH-HXUWFJFHSA-N 2 2 402.542 3.832 20 0 HHADLP Brc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)s1 ZINC000303586876 971879273 /nfs/dbraw/zinc/87/92/73/971879273.db2.gz QUAWUBIDJTUXLM-UHFFFAOYSA-N 2 2 411.369 3.868 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCC1 ZINC000553177957 1013137725 /nfs/dbraw/zinc/13/77/25/1013137725.db2.gz WLNNSNNEPLSWRY-FCHUYYIVSA-N 2 2 418.541 3.894 20 0 HHADLP COc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1F ZINC000553202276 1013161419 /nfs/dbraw/zinc/16/14/19/1013161419.db2.gz NXIFLDZTMIRFDK-HNNXBMFYSA-N 2 2 420.554 3.812 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(SC(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000303947943 972529969 /nfs/dbraw/zinc/52/99/69/972529969.db2.gz HJOLDGSVGOKTKP-UHFFFAOYSA-N 2 2 415.525 3.979 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542327379 1013282781 /nfs/dbraw/zinc/28/27/81/1013282781.db2.gz DYAMQWAPWCCPNP-HXUWFJFHSA-N 2 2 421.589 3.669 20 0 HHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000542408283 1013361409 /nfs/dbraw/zinc/36/14/09/1013361409.db2.gz HQCRKNNJWFVPIV-FQEVSTJZSA-N 2 2 423.388 3.614 20 0 HHADLP Fc1ccc(-c2noc(CCC[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)n2)cc1 ZINC000542483481 1013431857 /nfs/dbraw/zinc/43/18/57/1013431857.db2.gz ONDRDZOPSPLQBP-UHFFFAOYSA-N 2 2 400.420 3.815 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553546823 1013442495 /nfs/dbraw/zinc/44/24/95/1013442495.db2.gz OSASPTORTCVVER-VWNXMTODSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553546823 1013442499 /nfs/dbraw/zinc/44/24/99/1013442499.db2.gz OSASPTORTCVVER-VWNXMTODSA-N 2 2 408.590 3.637 20 0 HHADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000024083287 963936914 /nfs/dbraw/zinc/93/69/14/963936914.db2.gz FPWWSZQDLNBLEY-UHFFFAOYSA-N 2 2 421.585 3.948 20 0 HHADLP C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000024674689 964046617 /nfs/dbraw/zinc/04/66/17/964046617.db2.gz BZBVUFQVPUIGNJ-FQEVSTJZSA-N 2 2 407.558 3.758 20 0 HHADLP C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000024674689 964046630 /nfs/dbraw/zinc/04/66/30/964046630.db2.gz BZBVUFQVPUIGNJ-FQEVSTJZSA-N 2 2 407.558 3.758 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000048956882 964097360 /nfs/dbraw/zinc/09/73/60/964097360.db2.gz UURXFBNTLZUIKJ-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000050797010 964399191 /nfs/dbraw/zinc/39/91/91/964399191.db2.gz AJDXCNJZWPCWNM-MRXNPFEDSA-N 2 2 411.512 3.874 20 0 HHADLP Cc1ccc(-c2ncc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)s2)c(C)c1 ZINC000050797384 964399820 /nfs/dbraw/zinc/39/98/20/964399820.db2.gz HWWQOURNVQEIDQ-UHFFFAOYSA-N 2 2 412.603 3.715 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCc3nc4ccccc4s3)CC2)CC1 ZINC000050801200 964401281 /nfs/dbraw/zinc/40/12/81/964401281.db2.gz MWDSBWZDGZHQJC-UHFFFAOYSA-N 2 2 414.619 3.684 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)CC1 ZINC000050800360 964401530 /nfs/dbraw/zinc/40/15/30/964401530.db2.gz ZQEOFXZCIKOHBN-UHFFFAOYSA-N 2 2 409.599 3.802 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050801745 964401995 /nfs/dbraw/zinc/40/19/95/964401995.db2.gz YXCMNYQWQHXKPD-UHFFFAOYSA-N 2 2 415.622 3.818 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)cc[nH+]1 ZINC000542569023 1013509642 /nfs/dbraw/zinc/50/96/42/1013509642.db2.gz LGXKBRZOLJMBNU-QHCPKHFHSA-N 2 2 415.541 3.964 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)CC2)CC1 ZINC000051761345 964689046 /nfs/dbraw/zinc/68/90/46/964689046.db2.gz OTWYMVMIRNKFRX-OAQYLSRUSA-N 2 2 419.013 3.615 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051759688 964689170 /nfs/dbraw/zinc/68/91/70/964689170.db2.gz UOBFJLRUOTWEGU-NRFANRHFSA-N 2 2 404.986 3.649 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccco3)Cc3cccs3)CC2)CC1 ZINC000051759749 964689664 /nfs/dbraw/zinc/68/96/64/964689664.db2.gz WYDKSBJDPHIQCI-UHFFFAOYSA-N 2 2 416.591 3.612 20 0 HHADLP CC(C)(C)c1ccc(C2(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CCC2)cc1 ZINC000537975958 1013551981 /nfs/dbraw/zinc/55/19/81/1013551981.db2.gz HVHIOYXMMSCMBB-UHFFFAOYSA-N 2 2 413.650 3.792 20 0 HHADLP CC(C)(C)c1ccc(C2(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CCC2)cc1 ZINC000537975958 1013551991 /nfs/dbraw/zinc/55/19/91/1013551991.db2.gz HVHIOYXMMSCMBB-UHFFFAOYSA-N 2 2 413.650 3.792 20 0 HHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153106 965621216 /nfs/dbraw/zinc/62/12/16/965621216.db2.gz DDVBVLFVXWELLS-WIYYLYMNSA-N 2 2 408.546 3.501 20 0 HHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153106 965621241 /nfs/dbraw/zinc/62/12/41/965621241.db2.gz DDVBVLFVXWELLS-WIYYLYMNSA-N 2 2 408.546 3.501 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000538044058 1013616736 /nfs/dbraw/zinc/61/67/36/1013616736.db2.gz SQLCSPCGTBTZAZ-IRXDYDNUSA-N 2 2 411.384 3.539 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056264 1013632604 /nfs/dbraw/zinc/63/26/04/1013632604.db2.gz KXYAJJLHQJPPHR-MTURHBOBSA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056264 1013632609 /nfs/dbraw/zinc/63/26/09/1013632609.db2.gz KXYAJJLHQJPPHR-MTURHBOBSA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056264 1013632618 /nfs/dbraw/zinc/63/26/18/1013632618.db2.gz KXYAJJLHQJPPHR-MTURHBOBSA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056264 1013632624 /nfs/dbraw/zinc/63/26/24/1013632624.db2.gz KXYAJJLHQJPPHR-MTURHBOBSA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053799 1013628101 /nfs/dbraw/zinc/62/81/01/1013628101.db2.gz DMLTXDOHNVDQCT-UXHICEINSA-N 2 2 421.948 3.851 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053799 1013628107 /nfs/dbraw/zinc/62/81/07/1013628107.db2.gz DMLTXDOHNVDQCT-UXHICEINSA-N 2 2 421.948 3.851 20 0 HHADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000056764109 966451582 /nfs/dbraw/zinc/45/15/82/966451582.db2.gz FDUDHTLIDHRYEE-UHFFFAOYSA-N 2 2 407.562 3.901 20 0 HHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000061789840 966554077 /nfs/dbraw/zinc/55/40/77/966554077.db2.gz TZVMRZVDUFGNLX-UHFFFAOYSA-N 2 2 424.614 3.628 20 0 HHADLP CN(CCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc[nH+]cc1 ZINC000542787320 1013682416 /nfs/dbraw/zinc/68/24/16/1013682416.db2.gz SHOLPLAQRHJGDX-UHFFFAOYSA-N 2 2 407.543 3.561 20 0 HHADLP CN(CCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc[nH+]cc1 ZINC000542787320 1013682421 /nfs/dbraw/zinc/68/24/21/1013682421.db2.gz SHOLPLAQRHJGDX-UHFFFAOYSA-N 2 2 407.543 3.561 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)C1 ZINC000043547028 966997074 /nfs/dbraw/zinc/99/70/74/966997074.db2.gz CTCMQJKFMHQMED-MRXNPFEDSA-N 2 2 401.580 3.758 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)C1 ZINC000043547028 966997076 /nfs/dbraw/zinc/99/70/76/966997076.db2.gz CTCMQJKFMHQMED-MRXNPFEDSA-N 2 2 401.580 3.758 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000538130371 1013692754 /nfs/dbraw/zinc/69/27/54/1013692754.db2.gz SFIPTIFXWAUTGQ-QFIPXVFZSA-N 2 2 415.965 3.529 20 0 HHADLP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000064517653 967221646 /nfs/dbraw/zinc/22/16/46/967221646.db2.gz FGLZPTOQJVWKBR-RUZDIDTESA-N 2 2 421.585 3.589 20 0 HHADLP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000064517653 967221651 /nfs/dbraw/zinc/22/16/51/967221651.db2.gz FGLZPTOQJVWKBR-RUZDIDTESA-N 2 2 421.585 3.589 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045463517 967468856 /nfs/dbraw/zinc/46/88/56/967468856.db2.gz MQATWTYIIWEIOC-KDURUIRLSA-N 2 2 402.583 3.538 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045463517 967468861 /nfs/dbraw/zinc/46/88/61/967468861.db2.gz MQATWTYIIWEIOC-KDURUIRLSA-N 2 2 402.583 3.538 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000045757547 967548349 /nfs/dbraw/zinc/54/83/49/967548349.db2.gz NUWSDNJXBPOYEN-UHFFFAOYSA-N 2 2 417.557 3.704 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000046737322 967946868 /nfs/dbraw/zinc/94/68/68/967946868.db2.gz DPNZQTHYHSOSSJ-NHCUHLMSSA-N 2 2 416.610 3.929 20 0 HHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943801 968015593 /nfs/dbraw/zinc/01/55/93/968015593.db2.gz WMWFEAIBDHUEAF-UHFFFAOYSA-N 2 2 415.607 3.666 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072071927 968972372 /nfs/dbraw/zinc/97/23/72/968972372.db2.gz URIKSVGOLBOUMG-SVMVAKDDSA-N 2 2 419.635 3.616 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000072071927 968972377 /nfs/dbraw/zinc/97/23/77/968972377.db2.gz URIKSVGOLBOUMG-SVMVAKDDSA-N 2 2 419.635 3.616 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321845 1013849088 /nfs/dbraw/zinc/84/90/88/1013849088.db2.gz CJUYJBQBXJSSBQ-XZOQPEGZSA-N 2 2 415.626 3.862 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321845 1013849094 /nfs/dbraw/zinc/84/90/94/1013849094.db2.gz CJUYJBQBXJSSBQ-XZOQPEGZSA-N 2 2 415.626 3.862 20 0 HHADLP c1ccc(OCc2cccnc2)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000097287410 969116839 /nfs/dbraw/zinc/11/68/39/969116839.db2.gz SGVCDNVCFUEZIO-UHFFFAOYSA-N 2 2 403.526 3.783 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000554208629 1013852695 /nfs/dbraw/zinc/85/26/95/1013852695.db2.gz OITWKLVYWOYBQD-WFXMLNOXSA-N 2 2 414.550 3.924 20 0 HHADLP O=C1NC2(CCCCCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000108217536 969365751 /nfs/dbraw/zinc/36/57/51/969365751.db2.gz QPVRFQOENLYUNG-UHFFFAOYSA-N 2 2 404.599 3.567 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272970 1013887125 /nfs/dbraw/zinc/88/71/25/1013887125.db2.gz ZEDGYGSQQFHTQD-WNXIRNOKSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@H+]3C[C@@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272970 1013887131 /nfs/dbraw/zinc/88/71/31/1013887131.db2.gz ZEDGYGSQQFHTQD-WNXIRNOKSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2(C[NH+]3C[C@@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272970 1013887139 /nfs/dbraw/zinc/88/71/39/1013887139.db2.gz ZEDGYGSQQFHTQD-WNXIRNOKSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2(C[NH+]3C[C@@H](C)C[C@@H]3c3cccnc3)COC2)C1 ZINC000554272970 1013887143 /nfs/dbraw/zinc/88/71/43/1013887143.db2.gz ZEDGYGSQQFHTQD-WNXIRNOKSA-N 2 2 406.574 3.959 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236623522 970148252 /nfs/dbraw/zinc/14/82/52/970148252.db2.gz BHHVVFXELGBQQM-QFIPXVFZSA-N 2 2 415.965 3.775 20 0 HHADLP CC(C)[C@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000236694466 970156830 /nfs/dbraw/zinc/15/68/30/970156830.db2.gz WIMMGKAAVZLRAG-FQEVSTJZSA-N 2 2 423.026 3.737 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000236814964 970175668 /nfs/dbraw/zinc/17/56/68/970175668.db2.gz XQEQQTPSELGVGW-UHFFFAOYSA-N 3 2 407.537 3.833 20 0 HHADLP CCOc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1OC ZINC000236858612 970181483 /nfs/dbraw/zinc/18/14/83/970181483.db2.gz GTMRSLXSNFIGCU-UHFFFAOYSA-N 2 2 403.954 3.789 20 0 HHADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(Br)c1OC ZINC000237267528 970251541 /nfs/dbraw/zinc/25/15/41/970251541.db2.gz QDAKVLIKHMJWKK-UHFFFAOYSA-N 2 2 402.292 3.942 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000237283972 970255003 /nfs/dbraw/zinc/25/50/03/970255003.db2.gz MEXOFRWQVTXCQZ-LLVKDONJSA-N 2 2 417.145 3.843 20 0 HHADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(Br)c1OC ZINC000237363783 970270271 /nfs/dbraw/zinc/27/02/71/970270271.db2.gz YEZDFAMICWGUHS-UHFFFAOYSA-N 2 2 406.324 3.620 20 0 HHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237613090 970323191 /nfs/dbraw/zinc/32/31/91/970323191.db2.gz UJLUBZXTVHMJSP-IRXDYDNUSA-N 2 2 404.986 3.791 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc3cc(F)ccc3o2)c1 ZINC000237738437 970350529 /nfs/dbraw/zinc/35/05/29/970350529.db2.gz CJPJNRXPJROCJO-UHFFFAOYSA-N 2 2 411.477 3.523 20 0 HHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774569 970363886 /nfs/dbraw/zinc/36/38/86/970363886.db2.gz XNPMRWUSXNMYAE-SFTDATJTSA-N 2 2 419.573 3.582 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000237823370 970375184 /nfs/dbraw/zinc/37/51/84/970375184.db2.gz OHNDRUDAOFDBEX-UHFFFAOYSA-N 2 2 413.997 3.637 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000237856423 970383225 /nfs/dbraw/zinc/38/32/25/970383225.db2.gz JZUJTDYJZKIDOS-UHFFFAOYSA-N 3 2 403.574 3.873 20 0 HHADLP CC(C)Cc1ccc([C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)[NH+](C)C)cc1 ZINC000554688478 1014014355 /nfs/dbraw/zinc/01/43/55/1014014355.db2.gz MZPFFWVOVXQKQK-UNMCSNQZSA-N 2 2 411.594 3.599 20 0 HHADLP CCCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OCC ZINC000303968749 972555825 /nfs/dbraw/zinc/55/58/25/972555825.db2.gz RUUFPOZWIJSHSW-UHFFFAOYSA-N 2 2 417.594 3.554 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000554841390 1014070248 /nfs/dbraw/zinc/07/02/48/1014070248.db2.gz FNOTYUITFHCTPV-QHCPKHFHSA-N 2 2 423.557 3.677 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000554841390 1014070255 /nfs/dbraw/zinc/07/02/55/1014070255.db2.gz FNOTYUITFHCTPV-QHCPKHFHSA-N 2 2 423.557 3.677 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000554841920 1014070829 /nfs/dbraw/zinc/07/08/29/1014070829.db2.gz PCIRTBOPGQLABE-JOCHJYFZSA-N 2 2 413.993 3.889 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000554841920 1014070834 /nfs/dbraw/zinc/07/08/34/1014070834.db2.gz PCIRTBOPGQLABE-JOCHJYFZSA-N 2 2 413.993 3.889 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCC1 ZINC000409527834 972984001 /nfs/dbraw/zinc/98/40/01/972984001.db2.gz FBDVZEVYHAPUPJ-UNMCSNQZSA-N 2 2 415.965 3.905 20 0 HHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279941 973801372 /nfs/dbraw/zinc/80/13/72/973801372.db2.gz SVJOZMHRCBKUCG-KNQAVFIVSA-N 2 2 410.537 3.729 20 0 HHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279941 973801378 /nfs/dbraw/zinc/80/13/78/973801378.db2.gz SVJOZMHRCBKUCG-KNQAVFIVSA-N 2 2 410.537 3.729 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973140 974080052 /nfs/dbraw/zinc/08/00/52/974080052.db2.gz GHYIRXGSYNIEGW-IRXDYDNUSA-N 2 2 420.907 3.659 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973140 974080063 /nfs/dbraw/zinc/08/00/63/974080063.db2.gz GHYIRXGSYNIEGW-IRXDYDNUSA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973140 974080074 /nfs/dbraw/zinc/08/00/74/974080074.db2.gz GHYIRXGSYNIEGW-IRXDYDNUSA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973140 974080080 /nfs/dbraw/zinc/08/00/80/974080080.db2.gz GHYIRXGSYNIEGW-IRXDYDNUSA-N 2 2 420.907 3.659 20 0 HHADLP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425996368 974109685 /nfs/dbraw/zinc/10/96/85/974109685.db2.gz PCUCSNYDUYWAHU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425996368 974109712 /nfs/dbraw/zinc/10/97/12/974109712.db2.gz PCUCSNYDUYWAHU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425996368 974109721 /nfs/dbraw/zinc/10/97/21/974109721.db2.gz PCUCSNYDUYWAHU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425996368 974109733 /nfs/dbraw/zinc/10/97/33/974109733.db2.gz PCUCSNYDUYWAHU-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426047400 974168701 /nfs/dbraw/zinc/16/87/01/974168701.db2.gz GEKSKRLYRMZALN-YDLSIGKMSA-N 2 2 409.578 3.779 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426047400 974168719 /nfs/dbraw/zinc/16/87/19/974168719.db2.gz GEKSKRLYRMZALN-YDLSIGKMSA-N 2 2 409.578 3.779 20 0 HHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000426150596 974267689 /nfs/dbraw/zinc/26/76/89/974267689.db2.gz ABYRIIXYRZHPBK-QFIPXVFZSA-N 2 2 410.518 3.632 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1Cl ZINC000426159396 974272629 /nfs/dbraw/zinc/27/26/29/974272629.db2.gz HITGJTRCGVZHDU-HNNXBMFYSA-N 2 2 407.345 3.778 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426239143 974335805 /nfs/dbraw/zinc/33/58/05/974335805.db2.gz QXOICFPJDOLDCA-QTJGBDASSA-N 2 2 417.557 3.584 20 0 HHADLP C[N@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251626 974346674 /nfs/dbraw/zinc/34/66/74/974346674.db2.gz MFKWULPIAQZSAI-ZEQRLZLVSA-N 2 2 417.557 3.933 20 0 HHADLP C[N@@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251626 974346680 /nfs/dbraw/zinc/34/66/80/974346680.db2.gz MFKWULPIAQZSAI-ZEQRLZLVSA-N 2 2 417.557 3.933 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@@H](C)O1 ZINC000426770006 974647454 /nfs/dbraw/zinc/64/74/54/974647454.db2.gz NWKZKZOMWNSXMV-JBYIUTFZSA-N 2 2 419.997 3.657 20 0 HHADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426771042 974648250 /nfs/dbraw/zinc/64/82/50/974648250.db2.gz YLSYHPNXJHDNHZ-HDICACEKSA-N 2 2 407.986 3.798 20 0 HHADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426771042 974648253 /nfs/dbraw/zinc/64/82/53/974648253.db2.gz YLSYHPNXJHDNHZ-HDICACEKSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426788445 974660143 /nfs/dbraw/zinc/66/01/43/974660143.db2.gz NIDZZDZQGLLHAW-BBWFWOEESA-N 2 2 409.521 3.503 20 0 HHADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426788445 974660146 /nfs/dbraw/zinc/66/01/46/974660146.db2.gz NIDZZDZQGLLHAW-BBWFWOEESA-N 2 2 409.521 3.503 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428302084 975611971 /nfs/dbraw/zinc/61/19/71/975611971.db2.gz FBOROCPZAPHMIK-NZQKXSOJSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428302084 975611979 /nfs/dbraw/zinc/61/19/79/975611979.db2.gz FBOROCPZAPHMIK-NZQKXSOJSA-N 2 2 421.589 3.924 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000428489836 975788899 /nfs/dbraw/zinc/78/88/99/975788899.db2.gz YQNPNXDQPRVQLG-UHFFFAOYSA-N 2 2 415.969 3.679 20 0 HHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Br)c1 ZINC000428529637 975822865 /nfs/dbraw/zinc/82/28/65/975822865.db2.gz BGCARVISELIXQB-SFHVURJKSA-N 2 2 400.320 3.576 20 0 HHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428549527 975859071 /nfs/dbraw/zinc/85/90/71/975859071.db2.gz PZXBSQRWYZWQBK-LJQANCHMSA-N 2 2 412.484 3.736 20 0 HHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428549527 975859077 /nfs/dbraw/zinc/85/90/77/975859077.db2.gz PZXBSQRWYZWQBK-LJQANCHMSA-N 2 2 412.484 3.736 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000428587236 975898368 /nfs/dbraw/zinc/89/83/68/975898368.db2.gz ILSCWHXYNYZBHF-QFIPXVFZSA-N 2 2 423.605 3.834 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000428587236 975898378 /nfs/dbraw/zinc/89/83/78/975898378.db2.gz ILSCWHXYNYZBHF-QFIPXVFZSA-N 2 2 423.605 3.834 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428841917 976127700 /nfs/dbraw/zinc/12/77/00/976127700.db2.gz RIOKMJMTBQADMD-IFMALSPDSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428841917 976127706 /nfs/dbraw/zinc/12/77/06/976127706.db2.gz RIOKMJMTBQADMD-IFMALSPDSA-N 2 2 411.594 3.778 20 0 HHADLP CC(C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)c1ccccc1 ZINC000428883369 976177289 /nfs/dbraw/zinc/17/72/89/976177289.db2.gz SEFLSHDKKIPEGM-OAQYLSRUSA-N 2 2 409.574 3.607 20 0 HHADLP CC(C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)c1ccccc1 ZINC000428883369 976177297 /nfs/dbraw/zinc/17/72/97/976177297.db2.gz SEFLSHDKKIPEGM-OAQYLSRUSA-N 2 2 409.574 3.607 20 0 HHADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429451964 976727577 /nfs/dbraw/zinc/72/75/77/976727577.db2.gz YPZQZUDFHUDEMJ-RPWUZVMVSA-N 2 2 400.538 3.654 20 0 HHADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429451964 976727581 /nfs/dbraw/zinc/72/75/81/976727581.db2.gz YPZQZUDFHUDEMJ-RPWUZVMVSA-N 2 2 400.538 3.654 20 0 HHADLP CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429682690 976977558 /nfs/dbraw/zinc/97/75/58/976977558.db2.gz OBPZMYUEOIIFEL-RUZDIDTESA-N 2 2 422.617 3.911 20 0 HHADLP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429682690 976977571 /nfs/dbraw/zinc/97/75/71/976977571.db2.gz OBPZMYUEOIIFEL-RUZDIDTESA-N 2 2 422.617 3.911 20 0 HHADLP CC[NH+](CC1CCN(c2ccccn2)CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429682690 976977580 /nfs/dbraw/zinc/97/75/80/976977580.db2.gz OBPZMYUEOIIFEL-RUZDIDTESA-N 2 2 422.617 3.911 20 0 HHADLP CC[NH+](CC1CCN(c2ccccn2)CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429682690 976977588 /nfs/dbraw/zinc/97/75/88/976977588.db2.gz OBPZMYUEOIIFEL-RUZDIDTESA-N 2 2 422.617 3.911 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809823 977084766 /nfs/dbraw/zinc/08/47/66/977084766.db2.gz ABZDUFRYHVKNCZ-NSXLHWASSA-N 2 2 411.615 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809823 977084779 /nfs/dbraw/zinc/08/47/79/977084779.db2.gz ABZDUFRYHVKNCZ-NSXLHWASSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809823 977084785 /nfs/dbraw/zinc/08/47/85/977084785.db2.gz ABZDUFRYHVKNCZ-NSXLHWASSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000429809823 977084798 /nfs/dbraw/zinc/08/47/98/977084798.db2.gz ABZDUFRYHVKNCZ-NSXLHWASSA-N 2 2 411.615 3.884 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430181857 977375302 /nfs/dbraw/zinc/37/53/02/977375302.db2.gz WOGLPIOZUYIHNP-UHFFFAOYSA-N 2 2 403.958 3.624 20 0 HHADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426250 977538854 /nfs/dbraw/zinc/53/88/54/977538854.db2.gz NHIHONIJFRXVKS-RBUKOAKNSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426250 977538859 /nfs/dbraw/zinc/53/88/59/977538859.db2.gz NHIHONIJFRXVKS-RBUKOAKNSA-N 2 2 417.985 3.869 20 0 HHADLP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000430817174 977774286 /nfs/dbraw/zinc/77/42/86/977774286.db2.gz QMVSEBKXBIIMHA-UKILVPOCSA-N 2 2 405.542 3.996 20 0 HHADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910130 977877146 /nfs/dbraw/zinc/87/71/46/977877146.db2.gz RSFRNPJVKCFHMJ-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910130 977877155 /nfs/dbraw/zinc/87/71/55/977877155.db2.gz RSFRNPJVKCFHMJ-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000430912776 977880841 /nfs/dbraw/zinc/88/08/41/977880841.db2.gz OIHGIYIYZUMWBA-INIZCTEOSA-N 2 2 423.344 3.796 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000430912776 977880852 /nfs/dbraw/zinc/88/08/52/977880852.db2.gz OIHGIYIYZUMWBA-INIZCTEOSA-N 2 2 423.344 3.796 20 0 HHADLP Cc1ccc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000430916624 977884863 /nfs/dbraw/zinc/88/48/63/977884863.db2.gz WGYRQZOWDVCTJO-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000430916624 977884874 /nfs/dbraw/zinc/88/48/74/977884874.db2.gz WGYRQZOWDVCTJO-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000430945566 977906252 /nfs/dbraw/zinc/90/62/52/977906252.db2.gz RRFUNNSWRXMVOO-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000430945566 977906259 /nfs/dbraw/zinc/90/62/59/977906259.db2.gz RRFUNNSWRXMVOO-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430951431 977910006 /nfs/dbraw/zinc/91/00/06/977910006.db2.gz LINIIZBMAUVNBF-OAQYLSRUSA-N 3 2 418.670 3.510 20 0 HHADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430951431 977910016 /nfs/dbraw/zinc/91/00/16/977910016.db2.gz LINIIZBMAUVNBF-OAQYLSRUSA-N 3 2 418.670 3.510 20 0 HHADLP CC(C)(CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000430952484 977910046 /nfs/dbraw/zinc/91/00/46/977910046.db2.gz ZGNRYVCZYHIMAU-UHFFFAOYSA-N 2 2 417.985 3.870 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000431207268 978092589 /nfs/dbraw/zinc/09/25/89/978092589.db2.gz MQKFVEISJIJFGP-VQTJNVASSA-N 2 2 413.566 3.984 20 0 HHADLP CCN(C(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000431393197 978267262 /nfs/dbraw/zinc/26/72/62/978267262.db2.gz SBDJVPUVWILKHU-OAQYLSRUSA-N 3 2 420.686 3.684 20 0 HHADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000431393197 978267267 /nfs/dbraw/zinc/26/72/67/978267267.db2.gz SBDJVPUVWILKHU-OAQYLSRUSA-N 3 2 420.686 3.684 20 0 HHADLP C[C@H](CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000431605203 978379692 /nfs/dbraw/zinc/37/96/92/978379692.db2.gz RJRJCORDGIGWLA-GOSISDBHSA-N 2 2 424.626 3.872 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000431672694 978426354 /nfs/dbraw/zinc/42/63/54/978426354.db2.gz HUKHEHNDDKFBBA-GHTZIAJQSA-N 2 2 410.562 3.902 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000431672694 978426357 /nfs/dbraw/zinc/42/63/57/978426357.db2.gz HUKHEHNDDKFBBA-GHTZIAJQSA-N 2 2 410.562 3.902 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431853985 978553894 /nfs/dbraw/zinc/55/38/94/978553894.db2.gz MBCCUFTZDIKHSF-OFNKIYASSA-N 2 2 402.542 3.643 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431853985 978553899 /nfs/dbraw/zinc/55/38/99/978553899.db2.gz MBCCUFTZDIKHSF-OFNKIYASSA-N 2 2 402.542 3.643 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431860206 978556898 /nfs/dbraw/zinc/55/68/98/978556898.db2.gz PPOBUELSXJZMQE-OAQYLSRUSA-N 2 2 408.590 3.977 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431860206 978556900 /nfs/dbraw/zinc/55/69/00/978556900.db2.gz PPOBUELSXJZMQE-OAQYLSRUSA-N 2 2 408.590 3.977 20 0 HHADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Br)cc1 ZINC000431927067 978606120 /nfs/dbraw/zinc/60/61/20/978606120.db2.gz RJBYEYNZMROCPC-INIZCTEOSA-N 2 2 422.411 3.618 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000432716049 978946302 /nfs/dbraw/zinc/94/63/02/978946302.db2.gz AJDCHZBYSOOAOM-JOCHJYFZSA-N 2 2 414.594 3.780 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000432716049 978946304 /nfs/dbraw/zinc/94/63/04/978946304.db2.gz AJDCHZBYSOOAOM-JOCHJYFZSA-N 2 2 414.594 3.780 20 0 HHADLP Cc1ccc(-c2cccnc2)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000432970175 979029128 /nfs/dbraw/zinc/02/91/28/979029128.db2.gz FLFDGQYXTODEAT-UHFFFAOYSA-N 2 2 407.562 3.737 20 0 HHADLP Cn1cc(Br)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433189408 979130584 /nfs/dbraw/zinc/13/05/84/979130584.db2.gz CWTXOJQWCFWPGK-UHFFFAOYSA-N 2 2 403.368 3.671 20 0 HHADLP Cn1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433189408 979130587 /nfs/dbraw/zinc/13/05/87/979130587.db2.gz CWTXOJQWCFWPGK-UHFFFAOYSA-N 2 2 403.368 3.671 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433515577 979350873 /nfs/dbraw/zinc/35/08/73/979350873.db2.gz CSLYWMGPAISHFO-UHFFFAOYSA-N 2 2 424.589 3.715 20 0 HHADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433937325 979696272 /nfs/dbraw/zinc/69/62/72/979696272.db2.gz SKHGJEOQXHXANA-QHCPKHFHSA-N 2 2 421.589 3.946 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cccs2)CC1 ZINC000434001560 979748733 /nfs/dbraw/zinc/74/87/33/979748733.db2.gz DFXVJDIJSPARGW-WOJBJXKFSA-N 2 2 414.575 3.779 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2)CC1 ZINC000434271328 980032555 /nfs/dbraw/zinc/03/25/55/980032555.db2.gz XDIQRAHOWBDWPB-DHIUTWEWSA-N 2 2 408.546 3.718 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000434288551 980049218 /nfs/dbraw/zinc/04/92/18/980049218.db2.gz OQQSMYSFEGEOOO-VXKWHMMOSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000434288551 980049225 /nfs/dbraw/zinc/04/92/25/980049225.db2.gz OQQSMYSFEGEOOO-VXKWHMMOSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503563 980216133 /nfs/dbraw/zinc/21/61/33/980216133.db2.gz IPYFVANNRPKMIY-GOSISDBHSA-N 2 2 409.452 3.813 20 0 HHADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503563 980216148 /nfs/dbraw/zinc/21/61/48/980216148.db2.gz IPYFVANNRPKMIY-GOSISDBHSA-N 2 2 409.452 3.813 20 0 HHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503563 980216160 /nfs/dbraw/zinc/21/61/60/980216160.db2.gz IPYFVANNRPKMIY-GOSISDBHSA-N 2 2 409.452 3.813 20 0 HHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000434503563 980216170 /nfs/dbraw/zinc/21/61/70/980216170.db2.gz IPYFVANNRPKMIY-GOSISDBHSA-N 2 2 409.452 3.813 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCCCSc1ccccc1 ZINC000434665794 980328586 /nfs/dbraw/zinc/32/85/86/980328586.db2.gz NTKLYWPTMTZOFL-UHFFFAOYSA-N 2 2 412.603 3.697 20 0 HHADLP O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000435370971 980819857 /nfs/dbraw/zinc/81/98/57/980819857.db2.gz KQQJAWBTTCMXGM-QFIPXVFZSA-N 2 2 412.497 3.768 20 0 HHADLP O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000435370971 980819860 /nfs/dbraw/zinc/81/98/60/980819860.db2.gz KQQJAWBTTCMXGM-QFIPXVFZSA-N 2 2 412.497 3.768 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000435579981 980948952 /nfs/dbraw/zinc/94/89/52/980948952.db2.gz OEFDRKMPGXPWEZ-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000435579981 980948954 /nfs/dbraw/zinc/94/89/54/980948954.db2.gz OEFDRKMPGXPWEZ-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000435579981 980948957 /nfs/dbraw/zinc/94/89/57/980948957.db2.gz OEFDRKMPGXPWEZ-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000435579981 980948960 /nfs/dbraw/zinc/94/89/60/980948960.db2.gz OEFDRKMPGXPWEZ-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000435790274 981032892 /nfs/dbraw/zinc/03/28/92/981032892.db2.gz LESRTFARPPEVAU-ILBGXUMGSA-N 2 2 416.569 3.822 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000435790274 981032897 /nfs/dbraw/zinc/03/28/97/981032897.db2.gz LESRTFARPPEVAU-ILBGXUMGSA-N 2 2 416.569 3.822 20 0 HHADLP CCn1c2ccc(Br)cc2[nH+]c1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000436019792 981160069 /nfs/dbraw/zinc/16/00/69/981160069.db2.gz IOGQJHSPUKKJSB-UHFFFAOYSA-N 2 2 411.307 4.320 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000437044616 981715001 /nfs/dbraw/zinc/71/50/01/981715001.db2.gz XPJNYXHSUQXEHL-CJFMBICVSA-N 2 2 412.622 3.806 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369638 981729082 /nfs/dbraw/zinc/72/90/82/981729082.db2.gz APLMSQIIOZJWSA-VQTJNVASSA-N 2 2 402.583 3.569 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369638 981729089 /nfs/dbraw/zinc/72/90/89/981729089.db2.gz APLMSQIIOZJWSA-VQTJNVASSA-N 2 2 402.583 3.569 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371255 981730351 /nfs/dbraw/zinc/73/03/51/981730351.db2.gz MJURFIRPWPIHLF-RFWXGWTQSA-N 2 2 412.578 3.560 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371255 981730353 /nfs/dbraw/zinc/73/03/53/981730353.db2.gz MJURFIRPWPIHLF-RFWXGWTQSA-N 2 2 412.578 3.560 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000460345663 982116935 /nfs/dbraw/zinc/11/69/35/982116935.db2.gz DDXPWFCLBBXONI-IAGOWNOFSA-N 2 2 415.607 3.565 20 0 HHADLP COc1ccc2c(c1)CCC[C@H]2CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460498752 982288073 /nfs/dbraw/zinc/28/80/73/982288073.db2.gz QDUYPJCFHSMYES-NRFANRHFSA-N 2 2 413.606 3.572 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3cccc(F)c3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000460504104 982293650 /nfs/dbraw/zinc/29/36/50/982293650.db2.gz ONFLVBQZGWSHSF-UHFFFAOYSA-N 2 2 401.570 3.704 20 0 HHADLP CC(C)CCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460506620 982295501 /nfs/dbraw/zinc/29/55/01/982295501.db2.gz BXPSVPZCFPJJSQ-UHFFFAOYSA-N 2 2 401.595 3.792 20 0 HHADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2n1 ZINC000437691832 982300233 /nfs/dbraw/zinc/30/02/33/982300233.db2.gz NCHQEISQTLBINZ-QHCPKHFHSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2n1 ZINC000437691832 982300240 /nfs/dbraw/zinc/30/02/40/982300240.db2.gz NCHQEISQTLBINZ-QHCPKHFHSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)Cc3cccs3)cn2c1 ZINC000438459506 982811049 /nfs/dbraw/zinc/81/10/49/982811049.db2.gz MIOYCBOPJKTCOR-UHFFFAOYSA-N 2 2 402.589 3.528 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Oc3ccccn3)c2)([NH+]2CCCCC2)CC1 ZINC000438665346 982984307 /nfs/dbraw/zinc/98/43/07/982984307.db2.gz LVLFCLFVKKHHCY-UHFFFAOYSA-N 2 2 423.561 3.946 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000440272259 983703767 /nfs/dbraw/zinc/70/37/67/983703767.db2.gz ZVJYFKKPHGZFAQ-QHCPKHFHSA-N 2 2 402.542 3.654 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ncccc2Oc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000441055309 984046541 /nfs/dbraw/zinc/04/65/41/984046541.db2.gz CBZMQMQQBIANIN-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000441257294 984142399 /nfs/dbraw/zinc/14/23/99/984142399.db2.gz OVGYQPQZFLPACN-CLCXKQKWSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000441257294 984142402 /nfs/dbraw/zinc/14/24/02/984142402.db2.gz OVGYQPQZFLPACN-CLCXKQKWSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258632 984143563 /nfs/dbraw/zinc/14/35/63/984143563.db2.gz SZPHRNKYRRJHFR-XPWALMASSA-N 2 2 405.627 3.664 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258632 984143566 /nfs/dbraw/zinc/14/35/66/984143566.db2.gz SZPHRNKYRRJHFR-XPWALMASSA-N 2 2 405.627 3.664 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)c1 ZINC000441375957 984218000 /nfs/dbraw/zinc/21/80/00/984218000.db2.gz ZSFMUNKCNXLFCF-UTKZUKDTSA-N 2 2 423.492 3.707 20 0 HHADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000441384399 984223013 /nfs/dbraw/zinc/22/30/13/984223013.db2.gz XXCQYNCAJKLVFO-UYAOXDASSA-N 2 2 422.529 3.834 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400786 984232037 /nfs/dbraw/zinc/23/20/37/984232037.db2.gz DZGIOBGNKFLNEP-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400786 984232040 /nfs/dbraw/zinc/23/20/40/984232040.db2.gz DZGIOBGNKFLNEP-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400786 984232044 /nfs/dbraw/zinc/23/20/44/984232044.db2.gz DZGIOBGNKFLNEP-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400786 984232052 /nfs/dbraw/zinc/23/20/52/984232052.db2.gz DZGIOBGNKFLNEP-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405013 984234824 /nfs/dbraw/zinc/23/48/24/984234824.db2.gz JQHCTGAOTGDKFY-TYCQWZJGSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405013 984234828 /nfs/dbraw/zinc/23/48/28/984234828.db2.gz JQHCTGAOTGDKFY-TYCQWZJGSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405013 984234831 /nfs/dbraw/zinc/23/48/31/984234831.db2.gz JQHCTGAOTGDKFY-TYCQWZJGSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405013 984234836 /nfs/dbraw/zinc/23/48/36/984234836.db2.gz JQHCTGAOTGDKFY-TYCQWZJGSA-N 2 2 419.516 3.732 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419152 984241121 /nfs/dbraw/zinc/24/11/21/984241121.db2.gz JLIGPIMQJHXDIU-NZQKXSOJSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419152 984241127 /nfs/dbraw/zinc/24/11/27/984241127.db2.gz JLIGPIMQJHXDIU-NZQKXSOJSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419152 984241131 /nfs/dbraw/zinc/24/11/31/984241131.db2.gz JLIGPIMQJHXDIU-NZQKXSOJSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419152 984241141 /nfs/dbraw/zinc/24/11/41/984241141.db2.gz JLIGPIMQJHXDIU-NZQKXSOJSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424549 984243968 /nfs/dbraw/zinc/24/39/68/984243968.db2.gz VDFKFDZQKLWDCJ-XXBNENTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424549 984243970 /nfs/dbraw/zinc/24/39/70/984243970.db2.gz VDFKFDZQKLWDCJ-XXBNENTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424549 984243974 /nfs/dbraw/zinc/24/39/74/984243974.db2.gz VDFKFDZQKLWDCJ-XXBNENTESA-N 2 2 413.581 3.702 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000441424549 984243978 /nfs/dbraw/zinc/24/39/78/984243978.db2.gz VDFKFDZQKLWDCJ-XXBNENTESA-N 2 2 413.581 3.702 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461734333 984747791 /nfs/dbraw/zinc/74/77/91/984747791.db2.gz YZZMMKCDIFIGGZ-FOVJLYNBSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461734333 984747794 /nfs/dbraw/zinc/74/77/94/984747794.db2.gz YZZMMKCDIFIGGZ-FOVJLYNBSA-N 2 2 417.557 3.931 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)c1 ZINC000442230019 984749852 /nfs/dbraw/zinc/74/98/52/984749852.db2.gz CPDMYRIFBDPZOA-FUPPJEDESA-N 2 2 409.578 3.898 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)c1 ZINC000442230019 984749855 /nfs/dbraw/zinc/74/98/55/984749855.db2.gz CPDMYRIFBDPZOA-FUPPJEDESA-N 2 2 409.578 3.898 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)c1 ZINC000442230885 984750667 /nfs/dbraw/zinc/75/06/67/984750667.db2.gz GNIRFTBXWIIISG-JOCHJYFZSA-N 2 2 409.534 3.608 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000442238258 984758975 /nfs/dbraw/zinc/75/89/75/984758975.db2.gz QSZCMERALOBEDR-HSZRJFAPSA-N 2 2 409.578 3.901 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261943 985249398 /nfs/dbraw/zinc/24/93/98/985249398.db2.gz YCWIBFABLYRMSC-FXAWDEMLSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261943 985249409 /nfs/dbraw/zinc/24/94/09/985249409.db2.gz YCWIBFABLYRMSC-FXAWDEMLSA-N 2 2 413.591 3.771 20 0 HHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889316 985261710 /nfs/dbraw/zinc/26/17/10/985261710.db2.gz DRGQYTGDBCIYIH-ZWKOTPCHSA-N 2 2 411.384 3.923 20 0 HHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889316 985261722 /nfs/dbraw/zinc/26/17/22/985261722.db2.gz DRGQYTGDBCIYIH-ZWKOTPCHSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889316 985261735 /nfs/dbraw/zinc/26/17/35/985261735.db2.gz DRGQYTGDBCIYIH-ZWKOTPCHSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889316 985261750 /nfs/dbraw/zinc/26/17/50/985261750.db2.gz DRGQYTGDBCIYIH-ZWKOTPCHSA-N 2 2 411.384 3.923 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467912054 985543587 /nfs/dbraw/zinc/54/35/87/985543587.db2.gz RMRCTPAUQFGNSL-PKTZIBPZSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467912054 985543590 /nfs/dbraw/zinc/54/35/90/985543590.db2.gz RMRCTPAUQFGNSL-PKTZIBPZSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467912053 985543637 /nfs/dbraw/zinc/54/36/37/985543637.db2.gz RMRCTPAUQFGNSL-GOTSBHOMSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467912053 985543643 /nfs/dbraw/zinc/54/36/43/985543643.db2.gz RMRCTPAUQFGNSL-GOTSBHOMSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462614731 985557915 /nfs/dbraw/zinc/55/79/15/985557915.db2.gz KFXFDSVDXQFWRV-NHCUHLMSSA-N 2 2 419.997 3.684 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462614731 985557922 /nfs/dbraw/zinc/55/79/22/985557922.db2.gz KFXFDSVDXQFWRV-NHCUHLMSSA-N 2 2 419.997 3.684 20 0 HHADLP CC(C)C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000468006388 985658094 /nfs/dbraw/zinc/65/80/94/985658094.db2.gz QSGWICPSHSDNOH-UGKGYDQZSA-N 2 2 411.594 3.827 20 0 HHADLP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443521990 985692309 /nfs/dbraw/zinc/69/23/09/985692309.db2.gz WZPWYHYUJHLEML-HNNXBMFYSA-N 2 2 421.358 3.743 20 0 HHADLP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443521990 985692318 /nfs/dbraw/zinc/69/23/18/985692318.db2.gz WZPWYHYUJHLEML-HNNXBMFYSA-N 2 2 421.358 3.743 20 0 HHADLP COc1ccc(F)cc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000462778489 985714619 /nfs/dbraw/zinc/71/46/19/985714619.db2.gz PHQBIJZIBVWUBK-UHFFFAOYSA-N 2 2 411.443 3.895 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(F)cc3F)C(C)(C)C)CC2)CC1 ZINC000468290917 985988917 /nfs/dbraw/zinc/98/89/17/985988917.db2.gz IXJRCDXZDWLXFL-OAQYLSRUSA-N 2 2 422.564 3.910 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CC2)cc1 ZINC000463114296 986077666 /nfs/dbraw/zinc/07/76/66/986077666.db2.gz FEXRDZTXXUDNGG-UHFFFAOYSA-N 3 2 413.528 3.914 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468381776 986081310 /nfs/dbraw/zinc/08/13/10/986081310.db2.gz GBKHJCCADFYUHS-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468381776 986081319 /nfs/dbraw/zinc/08/13/19/986081319.db2.gz GBKHJCCADFYUHS-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP CCCc1cc(N2CCC[N@H+](Cc3nc([C@@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000443899992 986097399 /nfs/dbraw/zinc/09/73/99/986097399.db2.gz UVROHMXKUPQEES-QGZVFWFLSA-N 2 2 409.534 3.990 20 0 HHADLP CCCc1cc(N2CCC[N@@H+](Cc3nc([C@@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000443899992 986097412 /nfs/dbraw/zinc/09/74/12/986097412.db2.gz UVROHMXKUPQEES-QGZVFWFLSA-N 2 2 409.534 3.990 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000463197925 986170009 /nfs/dbraw/zinc/17/00/09/986170009.db2.gz KLFRVWMYBOWGJY-HKUYNNGSSA-N 2 2 404.580 3.812 20 0 HHADLP Cc1csc(N2CCC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)n1 ZINC000463237759 986205919 /nfs/dbraw/zinc/20/59/19/986205919.db2.gz NMKQPVWHXFJRRZ-UHFFFAOYSA-N 2 2 402.530 3.815 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCN1C1CCCCC1 ZINC000463282516 986249752 /nfs/dbraw/zinc/24/97/52/986249752.db2.gz NAWNYWFCOJKMLK-QHCPKHFHSA-N 2 2 401.570 3.746 20 0 HHADLP Cc1c[nH+]c(NC2CC[NH+](C(C)(C)C)CC2)nc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000444111445 986310915 /nfs/dbraw/zinc/31/09/15/986310915.db2.gz UMMCEZLZWGHZPV-UHFFFAOYSA-N 3 2 402.631 4.135 20 0 HHADLP O=C1[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221407 986407328 /nfs/dbraw/zinc/40/73/28/986407328.db2.gz DMKIZGKIIWXTOG-PXNSSMCTSA-N 2 2 407.505 3.734 20 0 HHADLP O=C1[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221407 986407337 /nfs/dbraw/zinc/40/73/37/986407337.db2.gz DMKIZGKIIWXTOG-PXNSSMCTSA-N 2 2 407.505 3.734 20 0 HHADLP Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000468714296 986428723 /nfs/dbraw/zinc/42/87/23/986428723.db2.gz MEDSKTVKXXPATP-HSZRJFAPSA-N 2 2 420.557 3.632 20 0 HHADLP Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000468714296 986428725 /nfs/dbraw/zinc/42/87/25/986428725.db2.gz MEDSKTVKXXPATP-HSZRJFAPSA-N 2 2 420.557 3.632 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000444345863 986527740 /nfs/dbraw/zinc/52/77/40/986527740.db2.gz SHBCFRRUJIQMKY-DYESRHJHSA-N 2 2 407.518 3.971 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000444597724 986785418 /nfs/dbraw/zinc/78/54/18/986785418.db2.gz ONZQRVNDEFLCIJ-MRXNPFEDSA-N 2 2 409.509 3.942 20 0 HHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000444787168 986942633 /nfs/dbraw/zinc/94/26/33/986942633.db2.gz QBWNERCPTIXCBT-OAQYLSRUSA-N 2 2 419.491 3.923 20 0 HHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791447 986946470 /nfs/dbraw/zinc/94/64/70/986946470.db2.gz MXXIVMGZOZPGJN-SIKLNZKXSA-N 2 2 404.514 3.988 20 0 HHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791447 986946475 /nfs/dbraw/zinc/94/64/75/986946475.db2.gz MXXIVMGZOZPGJN-SIKLNZKXSA-N 2 2 404.514 3.988 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000444792422 986947499 /nfs/dbraw/zinc/94/74/99/986947499.db2.gz NDTVYBISCAVXFQ-QGZVFWFLSA-N 2 2 420.479 3.810 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000444792422 986947505 /nfs/dbraw/zinc/94/75/05/986947505.db2.gz NDTVYBISCAVXFQ-QGZVFWFLSA-N 2 2 420.479 3.810 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444845257 987003569 /nfs/dbraw/zinc/00/35/69/987003569.db2.gz FTXYMQAELOONEM-HXUWFJFHSA-N 2 2 422.976 3.790 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000469381017 987076983 /nfs/dbraw/zinc/07/69/83/987076983.db2.gz JEYJUVWAUXCMIZ-YFVAEKQCSA-N 2 2 420.479 3.747 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000469381017 987076993 /nfs/dbraw/zinc/07/69/93/987076993.db2.gz JEYJUVWAUXCMIZ-YFVAEKQCSA-N 2 2 420.479 3.747 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000469391180 987089708 /nfs/dbraw/zinc/08/97/08/987089708.db2.gz ODOURKVARUOBFY-QHCPKHFHSA-N 2 2 411.977 3.915 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469398523 987095561 /nfs/dbraw/zinc/09/55/61/987095561.db2.gz XDUKDWIUHDGAIS-MRXNPFEDSA-N 2 2 411.456 3.551 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469398523 987095565 /nfs/dbraw/zinc/09/55/65/987095565.db2.gz XDUKDWIUHDGAIS-MRXNPFEDSA-N 2 2 411.456 3.551 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000444966583 987098299 /nfs/dbraw/zinc/09/82/99/987098299.db2.gz LFIWJDIRBCABNQ-TZIWHRDSSA-N 2 2 409.578 3.973 20 0 HHADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707462 987363720 /nfs/dbraw/zinc/36/37/20/987363720.db2.gz IXZVYSMOXNMWJM-ROUUACIJSA-N 2 2 420.479 3.743 20 0 HHADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707462 987363726 /nfs/dbraw/zinc/36/37/26/987363726.db2.gz IXZVYSMOXNMWJM-ROUUACIJSA-N 2 2 420.479 3.743 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469763679 987416415 /nfs/dbraw/zinc/41/64/15/987416415.db2.gz LDEVZTZKFWOSIC-GOTSBHOMSA-N 2 2 422.573 3.717 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469763679 987416419 /nfs/dbraw/zinc/41/64/19/987416419.db2.gz LDEVZTZKFWOSIC-GOTSBHOMSA-N 2 2 422.573 3.717 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000469763536 987416491 /nfs/dbraw/zinc/41/64/91/987416491.db2.gz IPBWYJTTZKVFFA-GOEBONIOSA-N 2 2 409.372 3.552 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000469763536 987416494 /nfs/dbraw/zinc/41/64/94/987416494.db2.gz IPBWYJTTZKVFFA-GOEBONIOSA-N 2 2 409.372 3.552 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000469775267 987425119 /nfs/dbraw/zinc/42/51/19/987425119.db2.gz JXNMTNZWUCRVNP-XXBNENTESA-N 2 2 421.545 3.901 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000469775267 987425123 /nfs/dbraw/zinc/42/51/23/987425123.db2.gz JXNMTNZWUCRVNP-XXBNENTESA-N 2 2 421.545 3.901 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000469783464 987429991 /nfs/dbraw/zinc/42/99/91/987429991.db2.gz NMGQXFIUAYFEPL-RMJJICAUSA-N 2 2 401.580 3.620 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000469783464 987429994 /nfs/dbraw/zinc/42/99/94/987429994.db2.gz NMGQXFIUAYFEPL-RMJJICAUSA-N 2 2 401.580 3.620 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3F)C3CCCC3)CC2)CC1 ZINC000445517598 987574705 /nfs/dbraw/zinc/57/47/05/987574705.db2.gz DZXALYFVAZKWOB-QHCPKHFHSA-N 2 2 416.585 3.915 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000470102507 988003955 /nfs/dbraw/zinc/00/39/55/988003955.db2.gz CCFBZPTUHMVJRZ-ZIAGYGMSSA-N 2 2 403.162 3.510 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000470102507 988003964 /nfs/dbraw/zinc/00/39/64/988003964.db2.gz CCFBZPTUHMVJRZ-ZIAGYGMSSA-N 2 2 403.162 3.510 20 0 HHADLP CC(C)[NH+](CCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000470478887 988468674 /nfs/dbraw/zinc/46/86/74/988468674.db2.gz YERNUDGRAMMDOT-WOJBJXKFSA-N 2 2 404.599 3.926 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000470598261 988614886 /nfs/dbraw/zinc/61/48/86/988614886.db2.gz JMJVZPDCUIGXKR-HXUWFJFHSA-N 2 2 416.447 3.983 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643539 988657623 /nfs/dbraw/zinc/65/76/23/988657623.db2.gz HETDYJYGUMBLTF-YHUYYLMFSA-N 2 2 422.520 3.587 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643539 988657629 /nfs/dbraw/zinc/65/76/29/988657629.db2.gz HETDYJYGUMBLTF-YHUYYLMFSA-N 2 2 422.520 3.587 20 0 HHADLP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470733962 988767748 /nfs/dbraw/zinc/76/77/48/988767748.db2.gz VKISCCSYUSOGQV-QFIPXVFZSA-N 2 2 403.530 3.678 20 0 HHADLP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470733962 988767758 /nfs/dbraw/zinc/76/77/58/988767758.db2.gz VKISCCSYUSOGQV-QFIPXVFZSA-N 2 2 403.530 3.678 20 0 HHADLP Cc1cccc([C@@H]2CCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000464774387 988999498 /nfs/dbraw/zinc/99/94/98/988999498.db2.gz KCSQWRPJQAPXMH-QHCPKHFHSA-N 2 2 406.574 3.964 20 0 HHADLP Cc1cccc([C@@H]2CCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000464774387 988999508 /nfs/dbraw/zinc/99/95/08/988999508.db2.gz KCSQWRPJQAPXMH-QHCPKHFHSA-N 2 2 406.574 3.964 20 0 HHADLP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806267 989037913 /nfs/dbraw/zinc/03/79/13/989037913.db2.gz PHTRMUPAGLAQOA-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806267 989037927 /nfs/dbraw/zinc/03/79/27/989037927.db2.gz PHTRMUPAGLAQOA-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP O=C(c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1)N1CCCCC1 ZINC000471019025 989089713 /nfs/dbraw/zinc/08/97/13/989089713.db2.gz NWHHNDWLTYWDMC-PLQXJYEYSA-N 2 2 403.570 3.877 20 0 HHADLP O=C(c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1)N1CCCCC1 ZINC000471019025 989089723 /nfs/dbraw/zinc/08/97/23/989089723.db2.gz NWHHNDWLTYWDMC-PLQXJYEYSA-N 2 2 403.570 3.877 20 0 HHADLP O=C(c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1)N1CCCCC1 ZINC000471019025 989089729 /nfs/dbraw/zinc/08/97/29/989089729.db2.gz NWHHNDWLTYWDMC-PLQXJYEYSA-N 2 2 403.570 3.877 20 0 HHADLP O=C(c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1)N1CCCCC1 ZINC000471019025 989089738 /nfs/dbraw/zinc/08/97/38/989089738.db2.gz NWHHNDWLTYWDMC-PLQXJYEYSA-N 2 2 403.570 3.877 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023152 989093999 /nfs/dbraw/zinc/09/39/99/989093999.db2.gz RGZQKBJDAJOABU-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023152 989094007 /nfs/dbraw/zinc/09/40/07/989094007.db2.gz RGZQKBJDAJOABU-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023152 989094015 /nfs/dbraw/zinc/09/40/15/989094015.db2.gz RGZQKBJDAJOABU-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023152 989094032 /nfs/dbraw/zinc/09/40/32/989094032.db2.gz RGZQKBJDAJOABU-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000471117098 989220738 /nfs/dbraw/zinc/22/07/38/989220738.db2.gz RZVNCFCQOSXQDE-LJQANCHMSA-N 2 2 413.591 3.773 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000471117098 989220748 /nfs/dbraw/zinc/22/07/48/989220748.db2.gz RZVNCFCQOSXQDE-LJQANCHMSA-N 2 2 413.591 3.773 20 0 HHADLP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174900 989302606 /nfs/dbraw/zinc/30/26/06/989302606.db2.gz AUWDJOKINGBWFF-UHFFFAOYSA-N 2 2 418.944 3.842 20 0 HHADLP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174900 989302612 /nfs/dbraw/zinc/30/26/12/989302612.db2.gz AUWDJOKINGBWFF-UHFFFAOYSA-N 2 2 418.944 3.842 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465413399 989760020 /nfs/dbraw/zinc/76/00/20/989760020.db2.gz UGFVTCHTMXJJEY-QFIPXVFZSA-N 2 2 404.574 3.724 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465413399 989760031 /nfs/dbraw/zinc/76/00/31/989760031.db2.gz UGFVTCHTMXJJEY-QFIPXVFZSA-N 2 2 404.574 3.724 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000465620259 990005543 /nfs/dbraw/zinc/00/55/43/990005543.db2.gz BSSPZOSMRMMQHF-IFMALSPDSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000465620259 990005548 /nfs/dbraw/zinc/00/55/48/990005548.db2.gz BSSPZOSMRMMQHF-IFMALSPDSA-N 2 2 423.586 3.875 20 0 HHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000465809800 990192252 /nfs/dbraw/zinc/19/22/52/990192252.db2.gz KKJKEXWXSSOYDQ-QFIPXVFZSA-N 2 2 400.611 3.601 20 0 HHADLP CCC[C@H](CCc1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465825377 990208359 /nfs/dbraw/zinc/20/83/59/990208359.db2.gz DUJPZEPZYCTMBO-OAQYLSRUSA-N 2 2 400.611 3.646 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000465907506 991036844 /nfs/dbraw/zinc/03/68/44/991036844.db2.gz SQLZPZHYFJNKSU-WOJBJXKFSA-N 2 2 401.599 3.592 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)CC3CCCCC3)CC2)[nH+]c1 ZINC000465961535 991105808 /nfs/dbraw/zinc/10/58/08/991105808.db2.gz VBALYYFIPLYXNH-UHFFFAOYSA-N 2 2 401.599 3.512 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2Br)([NH+]2CCCCC2)CC1 ZINC000466145374 991328366 /nfs/dbraw/zinc/32/83/66/991328366.db2.gz MFEDZOGQAAHHOC-UHFFFAOYSA-N 2 2 409.372 3.521 20 0 HHADLP CCCN(CCc1cccc(F)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466146262 991329141 /nfs/dbraw/zinc/32/91/41/991329141.db2.gz NXWHRQLYGFBOOP-UHFFFAOYSA-N 2 2 418.601 3.740 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466147222 991330783 /nfs/dbraw/zinc/33/07/83/991330783.db2.gz QDWPVDMGYNWASI-HSZRJFAPSA-N 2 2 412.622 3.744 20 0 HHADLP CC(C)c1ccc(CN(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466153084 991339565 /nfs/dbraw/zinc/33/95/65/991339565.db2.gz HDYALJYLUUCGNJ-UHFFFAOYSA-N 2 2 400.611 3.902 20 0 HHADLP CN(Cc1ccc(F)cc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156851 991344105 /nfs/dbraw/zinc/34/41/05/991344105.db2.gz HNSZTOUATOCMKR-UHFFFAOYSA-N 2 2 410.965 3.571 20 0 HHADLP Cc1cc(Br)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466157171 991345241 /nfs/dbraw/zinc/34/52/41/991345241.db2.gz KWOHFCWSSPCWCW-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC000466230834 991455952 /nfs/dbraw/zinc/45/59/52/991455952.db2.gz AQHIOYOGAFPAIE-UHFFFAOYSA-N 2 2 401.986 3.516 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466879620 992201268 /nfs/dbraw/zinc/20/12/68/992201268.db2.gz ABJWIUUVPZHMPI-YADHBBJMSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466879620 992201280 /nfs/dbraw/zinc/20/12/80/992201280.db2.gz ABJWIUUVPZHMPI-YADHBBJMSA-N 2 2 411.594 3.647 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000467170311 992489781 /nfs/dbraw/zinc/48/97/81/992489781.db2.gz HIVKPKTYKCBWQT-OAHLLOKOSA-N 2 2 422.570 3.585 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467205593 992531031 /nfs/dbraw/zinc/53/10/31/992531031.db2.gz IKAOSIKRHOGJCB-HNNXBMFYSA-N 2 2 414.377 3.897 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000467288403 992611877 /nfs/dbraw/zinc/61/18/77/992611877.db2.gz OISHPKMWYYPPSN-UHFFFAOYSA-N 2 2 407.602 3.572 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000467288403 992611886 /nfs/dbraw/zinc/61/18/86/992611886.db2.gz OISHPKMWYYPPSN-UHFFFAOYSA-N 2 2 407.602 3.572 20 0 HHADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(Br)c1OC(F)F ZINC000467521521 992798122 /nfs/dbraw/zinc/79/81/22/992798122.db2.gz ZRBAGAIAMIQYPQ-UHFFFAOYSA-N 2 2 407.299 3.977 20 0 HHADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(Br)c1OC(F)F ZINC000467521521 992798138 /nfs/dbraw/zinc/79/81/38/992798138.db2.gz ZRBAGAIAMIQYPQ-UHFFFAOYSA-N 2 2 407.299 3.977 20 0 HHADLP Cc1cc2c(o1)c(C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)ccc2Br ZINC000467743317 992991494 /nfs/dbraw/zinc/99/14/94/992991494.db2.gz YLYRIGOZRRWENX-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1cc2c(o1)c(C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)ccc2Br ZINC000467743317 992991505 /nfs/dbraw/zinc/99/15/05/992991505.db2.gz YLYRIGOZRRWENX-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327653 993336973 /nfs/dbraw/zinc/33/69/73/993336973.db2.gz OLXFHZOHIWAAAD-LEOXJPRUSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327653 993336977 /nfs/dbraw/zinc/33/69/77/993336977.db2.gz OLXFHZOHIWAAAD-LEOXJPRUSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769943 993634732 /nfs/dbraw/zinc/63/47/32/993634732.db2.gz YTODQMCRTNWKEE-MSOLQXFVSA-N 2 2 404.580 3.624 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000480914403 993769486 /nfs/dbraw/zinc/76/94/86/993769486.db2.gz QDLQLRDUZDUXHP-NRFANRHFSA-N 2 2 403.574 3.530 20 0 HHADLP Cc1nc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)sc1Cc1ccc(C)cc1 ZINC000480938696 993786464 /nfs/dbraw/zinc/78/64/64/993786464.db2.gz IMKFKSTWKCNMQC-UHFFFAOYSA-N 2 2 400.592 3.563 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082056 993920755 /nfs/dbraw/zinc/92/07/55/993920755.db2.gz VTKAEDPDDDTDTD-KBXCAEBGSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082056 993920767 /nfs/dbraw/zinc/92/07/67/993920767.db2.gz VTKAEDPDDDTDTD-KBXCAEBGSA-N 2 2 407.345 3.787 20 0 HHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000473012531 993935896 /nfs/dbraw/zinc/93/58/96/993935896.db2.gz YRLRFZLHDPHVQE-UGKGYDQZSA-N 2 2 416.585 3.869 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175825 994005403 /nfs/dbraw/zinc/00/54/03/994005403.db2.gz NBCYFZXPZMHGHD-VQIMIIECSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175825 994005409 /nfs/dbraw/zinc/00/54/09/994005409.db2.gz NBCYFZXPZMHGHD-VQIMIIECSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175817 994005462 /nfs/dbraw/zinc/00/54/62/994005462.db2.gz NBCYFZXPZMHGHD-LPHOPBHVSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175817 994005474 /nfs/dbraw/zinc/00/54/74/994005474.db2.gz NBCYFZXPZMHGHD-LPHOPBHVSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175813 994005727 /nfs/dbraw/zinc/00/57/27/994005727.db2.gz NBCYFZXPZMHGHD-APWZRJJASA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175813 994005736 /nfs/dbraw/zinc/00/57/36/994005736.db2.gz NBCYFZXPZMHGHD-APWZRJJASA-N 2 2 401.938 3.787 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177492 994008093 /nfs/dbraw/zinc/00/80/93/994008093.db2.gz QKGWJIBYEKQXQV-WMZOPIPTSA-N 2 2 410.543 3.842 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177492 994008100 /nfs/dbraw/zinc/00/81/00/994008100.db2.gz QKGWJIBYEKQXQV-WMZOPIPTSA-N 2 2 410.543 3.842 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481179438 994009790 /nfs/dbraw/zinc/00/97/90/994009790.db2.gz UTMGQRGJYFYTOW-XQBPLPMBSA-N 2 2 423.557 3.609 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481179438 994009796 /nfs/dbraw/zinc/00/97/96/994009796.db2.gz UTMGQRGJYFYTOW-XQBPLPMBSA-N 2 2 423.557 3.609 20 0 HHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000481199876 994033400 /nfs/dbraw/zinc/03/34/00/994033400.db2.gz FWZGDPVANKKKKQ-JOCHJYFZSA-N 2 2 408.542 3.934 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481202402 994036545 /nfs/dbraw/zinc/03/65/45/994036545.db2.gz SJSMEIAJILQDNK-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481202402 994036553 /nfs/dbraw/zinc/03/65/53/994036553.db2.gz SJSMEIAJILQDNK-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000481247882 994074934 /nfs/dbraw/zinc/07/49/34/994074934.db2.gz YJTNNGKDGHSZTR-CQSZACIVSA-N 2 2 410.896 3.939 20 0 HHADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000481535501 994366106 /nfs/dbraw/zinc/36/61/06/994366106.db2.gz PSRLZDDLRISHLC-SFHVURJKSA-N 2 2 412.559 3.752 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481585819 994429723 /nfs/dbraw/zinc/42/97/23/994429723.db2.gz WQBOUVOPQCMEFI-DNVCBOLYSA-N 2 2 405.420 3.982 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692294 994552420 /nfs/dbraw/zinc/55/24/20/994552420.db2.gz JVRUCORXUUJWTL-LEWJYISDSA-N 2 2 420.573 3.944 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692294 994552433 /nfs/dbraw/zinc/55/24/33/994552433.db2.gz JVRUCORXUUJWTL-LEWJYISDSA-N 2 2 420.573 3.944 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)([NH+]2CCCCC2)CC1 ZINC000473898271 994854403 /nfs/dbraw/zinc/85/44/03/994854403.db2.gz YUIXAIBITVDSNZ-UHFFFAOYSA-N 2 2 423.523 3.804 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000482001365 994902759 /nfs/dbraw/zinc/90/27/59/994902759.db2.gz MQHMPBQJJGJMHD-JRPNMDOOSA-N 2 2 422.738 3.772 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000482001365 994902775 /nfs/dbraw/zinc/90/27/75/994902775.db2.gz MQHMPBQJJGJMHD-JRPNMDOOSA-N 2 2 422.738 3.772 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000473948293 994925516 /nfs/dbraw/zinc/92/55/16/994925516.db2.gz HPVYJGLIVPPZFE-GZOXUSKESA-N 2 2 417.557 3.828 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000473948293 994925530 /nfs/dbraw/zinc/92/55/30/994925530.db2.gz HPVYJGLIVPPZFE-GZOXUSKESA-N 2 2 417.557 3.828 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482016483 994925929 /nfs/dbraw/zinc/92/59/29/994925929.db2.gz IFEHIOMMADAFPS-DHIUTWEWSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482016483 994925937 /nfs/dbraw/zinc/92/59/37/994925937.db2.gz IFEHIOMMADAFPS-DHIUTWEWSA-N 2 2 402.498 3.589 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032277 994948876 /nfs/dbraw/zinc/94/88/76/994948876.db2.gz OIYKWTAZKIPDAM-RDPSFJRHSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032277 994948886 /nfs/dbraw/zinc/94/88/86/994948886.db2.gz OIYKWTAZKIPDAM-RDPSFJRHSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035376 994953017 /nfs/dbraw/zinc/95/30/17/994953017.db2.gz ABLRYDRBKIPZNN-NZQKXSOJSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035376 994953027 /nfs/dbraw/zinc/95/30/27/994953027.db2.gz ABLRYDRBKIPZNN-NZQKXSOJSA-N 2 2 409.574 3.859 20 0 HHADLP O=C(CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000482122112 995070208 /nfs/dbraw/zinc/07/02/08/995070208.db2.gz SMTKXLFIJLUHOD-SFHVURJKSA-N 2 2 419.356 3.704 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130140 995079896 /nfs/dbraw/zinc/07/98/96/995079896.db2.gz UGVLESGZLDWXNT-CVEARBPZSA-N 2 2 410.580 3.854 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130140 995079904 /nfs/dbraw/zinc/07/99/04/995079904.db2.gz UGVLESGZLDWXNT-CVEARBPZSA-N 2 2 410.580 3.854 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000482137442 995087703 /nfs/dbraw/zinc/08/77/03/995087703.db2.gz ASJWETZFBRBKCL-AZUAARDMSA-N 2 2 400.592 3.899 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000482156060 995110020 /nfs/dbraw/zinc/11/00/20/995110020.db2.gz HZOXZEAHAXLFHR-KDOFPFPSSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000482156060 995110024 /nfs/dbraw/zinc/11/00/24/995110024.db2.gz HZOXZEAHAXLFHR-KDOFPFPSSA-N 2 2 402.366 3.659 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000474153839 995136938 /nfs/dbraw/zinc/13/69/38/995136938.db2.gz OMCFCEJNUPESQA-UHFFFAOYSA-N 2 2 410.400 3.650 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000474153839 995136943 /nfs/dbraw/zinc/13/69/43/995136943.db2.gz OMCFCEJNUPESQA-UHFFFAOYSA-N 2 2 410.400 3.650 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000482199546 995179360 /nfs/dbraw/zinc/17/93/60/995179360.db2.gz OUHKNPRHTPCFSS-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)c1 ZINC000474209326 995204923 /nfs/dbraw/zinc/20/49/23/995204923.db2.gz IRUGKVPCTMDUDC-PGRDOPGGSA-N 2 2 410.562 3.600 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2OC(F)F)([NH+]2CCCCC2)CC1 ZINC000482322197 995300908 /nfs/dbraw/zinc/30/09/08/995300908.db2.gz HSPCVDORMAKHDH-UHFFFAOYSA-N 2 2 415.912 3.622 20 0 HHADLP Brc1cnc(C[NH2+]CCCNc2cccc[nH+]2)c(Br)c1 ZINC000474349801 995329452 /nfs/dbraw/zinc/32/94/52/995329452.db2.gz IBTNXGHTMMJVHH-UHFFFAOYSA-N 2 2 400.118 3.593 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1cccc(OC)c1 ZINC000474432767 995394624 /nfs/dbraw/zinc/39/46/24/995394624.db2.gz LDGVFIGSVIZWEA-GCJKJVERSA-N 2 2 412.578 3.846 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1cccc(OC)c1 ZINC000474432767 995394635 /nfs/dbraw/zinc/39/46/35/995394635.db2.gz LDGVFIGSVIZWEA-GCJKJVERSA-N 2 2 412.578 3.846 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)cc3-n3cncn3)CC2)c1 ZINC000474474719 995435103 /nfs/dbraw/zinc/43/51/03/995435103.db2.gz SXBCMZKLSGZBLG-UHFFFAOYSA-N 2 2 424.980 3.531 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615499 995567271 /nfs/dbraw/zinc/56/72/71/995567271.db2.gz KTHLGGGJRQOOHF-HYBUGGRVSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615499 995567279 /nfs/dbraw/zinc/56/72/79/995567279.db2.gz KTHLGGGJRQOOHF-HYBUGGRVSA-N 2 2 422.573 3.818 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000482616852 995613323 /nfs/dbraw/zinc/61/33/23/995613323.db2.gz CDUZNCTXWXRBRH-DYVFJYSZSA-N 2 2 406.983 3.762 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000482616852 995613327 /nfs/dbraw/zinc/61/33/27/995613327.db2.gz CDUZNCTXWXRBRH-DYVFJYSZSA-N 2 2 406.983 3.762 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642048 995636944 /nfs/dbraw/zinc/63/69/44/995636944.db2.gz LVWVCCJUPBZSNW-ABAIWWIYSA-N 2 2 411.390 3.715 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642048 995636949 /nfs/dbraw/zinc/63/69/49/995636949.db2.gz LVWVCCJUPBZSNW-ABAIWWIYSA-N 2 2 411.390 3.715 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000474780427 995706282 /nfs/dbraw/zinc/70/62/82/995706282.db2.gz LURLGHKKUMXAQP-AUSIDOKSSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc3ccccc3C1)C2 ZINC000474780427 995706290 /nfs/dbraw/zinc/70/62/90/995706290.db2.gz LURLGHKKUMXAQP-AUSIDOKSSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000474780427 995706296 /nfs/dbraw/zinc/70/62/96/995706296.db2.gz LURLGHKKUMXAQP-AUSIDOKSSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc3ccccc3C1)CC2 ZINC000474780427 995706301 /nfs/dbraw/zinc/70/63/01/995706301.db2.gz LURLGHKKUMXAQP-AUSIDOKSSA-N 2 2 408.590 3.837 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)CCC2 ZINC000474809238 995719037 /nfs/dbraw/zinc/71/90/37/995719037.db2.gz MIXWKFBEYXHVCJ-NSHDSACASA-N 2 2 417.241 3.742 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973026 995836933 /nfs/dbraw/zinc/83/69/33/995836933.db2.gz MNOMRGQAWSEJLZ-KSSFIOAISA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973026 995836945 /nfs/dbraw/zinc/83/69/45/995836945.db2.gz MNOMRGQAWSEJLZ-KSSFIOAISA-N 2 2 407.345 3.787 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000475143526 995951144 /nfs/dbraw/zinc/95/11/44/995951144.db2.gz IQRHODNQZIMIAD-CABCVRRESA-N 2 2 414.497 3.622 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225398 996008907 /nfs/dbraw/zinc/00/89/07/996008907.db2.gz VGQCNKCCGODCNK-YSIASYRMSA-N 2 2 404.601 3.542 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225398 996008914 /nfs/dbraw/zinc/00/89/14/996008914.db2.gz VGQCNKCCGODCNK-YSIASYRMSA-N 2 2 404.601 3.542 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283275 996044007 /nfs/dbraw/zinc/04/40/07/996044007.db2.gz IDPCDVZYKLRQHX-OAQYLSRUSA-N 2 2 418.541 3.661 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475283275 996044014 /nfs/dbraw/zinc/04/40/14/996044014.db2.gz IDPCDVZYKLRQHX-OAQYLSRUSA-N 2 2 418.541 3.661 20 0 HHADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475367226 996094405 /nfs/dbraw/zinc/09/44/05/996094405.db2.gz GBIIYKXWJDHNBZ-UHFFFAOYSA-N 2 2 419.451 3.627 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000483479884 996206908 /nfs/dbraw/zinc/20/69/08/996206908.db2.gz FRGRLAAIFSMRBX-KDURUIRLSA-N 2 2 414.594 3.824 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000483479884 996206914 /nfs/dbraw/zinc/20/69/14/996206914.db2.gz FRGRLAAIFSMRBX-KDURUIRLSA-N 2 2 414.594 3.824 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483520 996209990 /nfs/dbraw/zinc/20/99/90/996209990.db2.gz OBNYPPZPBUFIFD-PFATUAPWSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483520 996209996 /nfs/dbraw/zinc/20/99/96/996209996.db2.gz OBNYPPZPBUFIFD-PFATUAPWSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483520 996210002 /nfs/dbraw/zinc/21/00/02/996210002.db2.gz OBNYPPZPBUFIFD-PFATUAPWSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483520 996210008 /nfs/dbraw/zinc/21/00/08/996210008.db2.gz OBNYPPZPBUFIFD-PFATUAPWSA-N 2 2 409.549 3.790 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cccc(F)c2o1 ZINC000475719299 996322053 /nfs/dbraw/zinc/32/20/53/996322053.db2.gz GORTXFAKPJKTGH-INIZCTEOSA-N 2 2 411.477 3.693 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483731465 996355261 /nfs/dbraw/zinc/35/52/61/996355261.db2.gz SGNOXHMLZXPDJO-IBGZPJMESA-N 2 2 424.570 3.914 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483731465 996355267 /nfs/dbraw/zinc/35/52/67/996355267.db2.gz SGNOXHMLZXPDJO-IBGZPJMESA-N 2 2 424.570 3.914 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000483940398 996479478 /nfs/dbraw/zinc/47/94/78/996479478.db2.gz LQMJPFJJGOVMCE-UHFFFAOYSA-N 2 2 402.542 3.848 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000483940398 996479482 /nfs/dbraw/zinc/47/94/82/996479482.db2.gz LQMJPFJJGOVMCE-UHFFFAOYSA-N 2 2 402.542 3.848 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)s1 ZINC000483986552 996507419 /nfs/dbraw/zinc/50/74/19/996507419.db2.gz WYRFUTQIQVEAIN-UHFFFAOYSA-N 2 2 404.624 3.545 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000484105313 996573325 /nfs/dbraw/zinc/57/33/25/996573325.db2.gz VFLAFMOJTFVLLF-JOCHJYFZSA-N 2 2 406.530 3.889 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149108 996600072 /nfs/dbraw/zinc/60/00/72/996600072.db2.gz WFTVSXMRHQDGCA-NXQMDHLFSA-N 2 2 422.548 3.853 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149108 996600074 /nfs/dbraw/zinc/60/00/74/996600074.db2.gz WFTVSXMRHQDGCA-NXQMDHLFSA-N 2 2 422.548 3.853 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000476230915 996692413 /nfs/dbraw/zinc/69/24/13/996692413.db2.gz LCTZCEQXTRYHBK-UHFFFAOYSA-N 2 2 412.484 3.746 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000484477591 996797691 /nfs/dbraw/zinc/79/76/91/996797691.db2.gz QGGMPGQXAYEVSW-QFBILLFUSA-N 2 2 416.953 3.572 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000484477591 996797695 /nfs/dbraw/zinc/79/76/95/996797695.db2.gz QGGMPGQXAYEVSW-QFBILLFUSA-N 2 2 416.953 3.572 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709619 997048566 /nfs/dbraw/zinc/04/85/66/997048566.db2.gz MYNKGTAQDXZBMH-YSSFQJQWSA-N 2 2 424.992 3.986 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709619 997048579 /nfs/dbraw/zinc/04/85/79/997048579.db2.gz MYNKGTAQDXZBMH-YSSFQJQWSA-N 2 2 424.992 3.986 20 0 HHADLP CC[NH+](CC)CCCC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000476672979 997211764 /nfs/dbraw/zinc/21/17/64/997211764.db2.gz XOKSTGDAGSYANR-UHFFFAOYSA-N 2 2 406.521 3.984 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485139746 997523748 /nfs/dbraw/zinc/52/37/48/997523748.db2.gz PZQLSEKRPWBFGH-NZQKXSOJSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485139746 997523756 /nfs/dbraw/zinc/52/37/56/997523756.db2.gz PZQLSEKRPWBFGH-NZQKXSOJSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000476957233 997572668 /nfs/dbraw/zinc/57/26/68/997572668.db2.gz ZNRFXJLFJYVXRR-FQEVSTJZSA-N 2 2 412.622 3.745 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000485199945 997575742 /nfs/dbraw/zinc/57/57/42/997575742.db2.gz UAIOXCAQDQFQAD-VGOFRKELSA-N 2 2 409.509 3.810 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485323404 997734597 /nfs/dbraw/zinc/73/45/97/997734597.db2.gz OSIBDYRJVSILDO-QWFCFKBJSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485323404 997734602 /nfs/dbraw/zinc/73/46/02/997734602.db2.gz OSIBDYRJVSILDO-QWFCFKBJSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485323404 997734607 /nfs/dbraw/zinc/73/46/07/997734607.db2.gz OSIBDYRJVSILDO-QWFCFKBJSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485323404 997734616 /nfs/dbraw/zinc/73/46/16/997734616.db2.gz OSIBDYRJVSILDO-QWFCFKBJSA-N 2 2 413.562 3.861 20 0 HHADLP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226523 997900623 /nfs/dbraw/zinc/90/06/23/997900623.db2.gz YFAJWAUPZOPUOU-RTBURBONSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226523 997900629 /nfs/dbraw/zinc/90/06/29/997900629.db2.gz YFAJWAUPZOPUOU-RTBURBONSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226523 997900640 /nfs/dbraw/zinc/90/06/40/997900640.db2.gz YFAJWAUPZOPUOU-RTBURBONSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226523 997900649 /nfs/dbraw/zinc/90/06/49/997900649.db2.gz YFAJWAUPZOPUOU-RTBURBONSA-N 2 2 422.976 3.760 20 0 HHADLP CC(=O)c1ccc2c(c1)CC[NH+](CCC[N@H+]1CCc3ccc(C(C)=O)cc3CC1)CC2 ZINC000485598008 998044284 /nfs/dbraw/zinc/04/42/84/998044284.db2.gz HAYPSNMAFDSARK-UHFFFAOYSA-N 2 2 418.581 3.983 20 0 HHADLP CC(=O)c1ccc2c(c1)CC[NH+](CCC[N@@H+]1CCc3ccc(C(C)=O)cc3CC1)CC2 ZINC000485598008 998044291 /nfs/dbraw/zinc/04/42/91/998044291.db2.gz HAYPSNMAFDSARK-UHFFFAOYSA-N 2 2 418.581 3.983 20 0 HHADLP O=C(C[NH2+]C1(c2ccccc2)CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000477652699 998367379 /nfs/dbraw/zinc/36/73/79/998367379.db2.gz HVAUQOWTFBLHKI-UHFFFAOYSA-N 2 2 421.585 3.584 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000485968935 998410751 /nfs/dbraw/zinc/41/07/51/998410751.db2.gz SVYKTJFHJFYIMY-QFBILLFUSA-N 2 2 408.468 3.664 20 0 HHADLP Fc1c(Cl)cccc1C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000477853781 998606120 /nfs/dbraw/zinc/60/61/20/998606120.db2.gz NKKLWLJHZRXWLT-UHFFFAOYSA-N 2 2 424.004 3.677 20 0 HHADLP Fc1c(Cl)cccc1C1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000477853781 998606128 /nfs/dbraw/zinc/60/61/28/998606128.db2.gz NKKLWLJHZRXWLT-UHFFFAOYSA-N 2 2 424.004 3.677 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000478055444 998739492 /nfs/dbraw/zinc/73/94/92/998739492.db2.gz UWQIUCAUIKRGHI-NRFANRHFSA-N 2 2 401.938 3.538 20 0 HHADLP C[C@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478181170 998807438 /nfs/dbraw/zinc/80/74/38/998807438.db2.gz QHFARZLZDKJFFQ-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478181170 998807446 /nfs/dbraw/zinc/80/74/46/998807446.db2.gz QHFARZLZDKJFFQ-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000486693029 998895040 /nfs/dbraw/zinc/89/50/40/998895040.db2.gz CCPGCRJRGHVUNI-IEBWSBKVSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000486693029 998895048 /nfs/dbraw/zinc/89/50/48/998895048.db2.gz CCPGCRJRGHVUNI-IEBWSBKVSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486976048 999024607 /nfs/dbraw/zinc/02/46/07/999024607.db2.gz RCUBPGVQBXBRRF-LJQANCHMSA-N 2 2 416.585 3.663 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487903604 999310727 /nfs/dbraw/zinc/31/07/27/999310727.db2.gz ACOSMXAQVGGTAD-VWLOTQADSA-N 2 2 417.557 3.785 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487903604 999310731 /nfs/dbraw/zinc/31/07/31/999310731.db2.gz ACOSMXAQVGGTAD-VWLOTQADSA-N 2 2 417.557 3.785 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974308 999332850 /nfs/dbraw/zinc/33/28/50/999332850.db2.gz BEFFETBBMNUPAI-SFHLNBCPSA-N 2 2 420.504 3.685 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974308 999332853 /nfs/dbraw/zinc/33/28/53/999332853.db2.gz BEFFETBBMNUPAI-SFHLNBCPSA-N 2 2 420.504 3.685 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000479346235 999396491 /nfs/dbraw/zinc/39/64/91/999396491.db2.gz NIWJOJXVRRWESL-OAQYLSRUSA-N 2 2 423.605 3.816 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785519 999607024 /nfs/dbraw/zinc/60/70/24/999607024.db2.gz NRDYNTDRVXWDBL-NHCUHLMSSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785519 999607026 /nfs/dbraw/zinc/60/70/26/999607026.db2.gz NRDYNTDRVXWDBL-NHCUHLMSSA-N 2 2 406.014 3.987 20 0 HHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000479875520 999632978 /nfs/dbraw/zinc/63/29/78/999632978.db2.gz QZAMBODZPNCKNG-ZTCOLXNVSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000479875520 999632980 /nfs/dbraw/zinc/63/29/80/999632980.db2.gz QZAMBODZPNCKNG-ZTCOLXNVSA-N 2 2 408.590 3.727 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144639 999711206 /nfs/dbraw/zinc/71/12/06/999711206.db2.gz ABCDHLSLZOYKFZ-BHIFYINESA-N 2 2 413.606 3.521 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144639 999711209 /nfs/dbraw/zinc/71/12/09/999711209.db2.gz ABCDHLSLZOYKFZ-BHIFYINESA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149152 999712302 /nfs/dbraw/zinc/71/23/02/999712302.db2.gz ROMRSNDVMXKXCA-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149152 999712303 /nfs/dbraw/zinc/71/23/03/999712303.db2.gz ROMRSNDVMXKXCA-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000480087928 999713725 /nfs/dbraw/zinc/71/37/25/999713725.db2.gz QARDADGNHCODRM-ZPZUNKDASA-N 2 2 408.590 3.727 20 0 HHADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000480087928 999713726 /nfs/dbraw/zinc/71/37/26/999713726.db2.gz QARDADGNHCODRM-ZPZUNKDASA-N 2 2 408.590 3.727 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000489297733 999739746 /nfs/dbraw/zinc/73/97/46/999739746.db2.gz VLPVWYDGRYLZNO-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000489297733 999739748 /nfs/dbraw/zinc/73/97/48/999739748.db2.gz VLPVWYDGRYLZNO-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000489366213 999752820 /nfs/dbraw/zinc/75/28/20/999752820.db2.gz TXLKMOHYPUZUPR-GOSISDBHSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000489366213 999752824 /nfs/dbraw/zinc/75/28/24/999752824.db2.gz TXLKMOHYPUZUPR-GOSISDBHSA-N 2 2 414.981 3.978 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000480239908 999753830 /nfs/dbraw/zinc/75/38/30/999753830.db2.gz GNSZAIYQVTXCER-PIXQIBFHSA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000480239908 999753832 /nfs/dbraw/zinc/75/38/32/999753832.db2.gz GNSZAIYQVTXCER-PIXQIBFHSA-N 3 2 422.617 3.691 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000480239143 999753841 /nfs/dbraw/zinc/75/38/41/999753841.db2.gz GKRCUKUSODSSDM-IBGZPJMESA-N 2 2 424.980 3.784 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488612 999776972 /nfs/dbraw/zinc/77/69/72/999776972.db2.gz ATWYLBVJEFGHJK-WMZHIEFXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488612 999776974 /nfs/dbraw/zinc/77/69/74/999776974.db2.gz ATWYLBVJEFGHJK-WMZHIEFXSA-N 2 2 403.530 3.582 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C)c1 ZINC000489728096 999825980 /nfs/dbraw/zinc/82/59/80/999825980.db2.gz JUJVUKXDHAONDG-WENLIBGGSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C)c1 ZINC000489728096 999825982 /nfs/dbraw/zinc/82/59/82/999825982.db2.gz JUJVUKXDHAONDG-WENLIBGGSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000480618939 999842562 /nfs/dbraw/zinc/84/25/62/999842562.db2.gz PVUQDPHWEBLAIN-KBMIEXCESA-N 2 2 403.574 3.927 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000480618939 999842564 /nfs/dbraw/zinc/84/25/64/999842564.db2.gz PVUQDPHWEBLAIN-KBMIEXCESA-N 2 2 403.574 3.927 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480629126 999845008 /nfs/dbraw/zinc/84/50/08/999845008.db2.gz CFUSJDSFNRNGPL-INIZCTEOSA-N 2 2 405.464 3.944 20 0 HHADLP COc1ccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000490171423 999904038 /nfs/dbraw/zinc/90/40/38/999904038.db2.gz CWSSQEWQGRZNMI-XMMPIXPASA-N 2 2 402.542 3.721 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)CC1 ZINC000490660160 999990271 /nfs/dbraw/zinc/99/02/71/999990271.db2.gz KNPYETHGWOUXTG-UHFFFAOYSA-N 2 2 423.533 3.914 20 0 HHADLP COc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491024200 1000035121 /nfs/dbraw/zinc/03/51/21/1000035121.db2.gz SGZUJKUQZQQNOW-SBUREZEXSA-N 2 2 417.981 3.672 20 0 HHADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000491032851 1000037024 /nfs/dbraw/zinc/03/70/24/1000037024.db2.gz PIJJCHRTYHOQGK-DYESRHJHSA-N 2 2 402.380 3.764 20 0 HHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058939 1000040605 /nfs/dbraw/zinc/04/06/05/1000040605.db2.gz JBNOVLXQRRJVRV-JWQCQUIFSA-N 2 2 409.574 3.779 20 0 HHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058939 1000040607 /nfs/dbraw/zinc/04/06/07/1000040607.db2.gz JBNOVLXQRRJVRV-JWQCQUIFSA-N 2 2 409.574 3.779 20 0 HHADLP COc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccc(F)cc2)cc1 ZINC000491309883 1000063600 /nfs/dbraw/zinc/06/36/00/1000063600.db2.gz ZOOXCRMFZDRGLA-VWLOTQADSA-N 2 2 420.532 3.860 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2ccccc2)CC1 ZINC000491871784 1000098712 /nfs/dbraw/zinc/09/87/12/1000098712.db2.gz BGXLBXASJNPNCU-QFIPXVFZSA-N 2 2 418.545 3.921 20 0 HHADLP C[C@]1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000492085640 1000108910 /nfs/dbraw/zinc/10/89/10/1000108910.db2.gz YVTMYLJOGYVPJD-HSZRJFAPSA-N 2 2 404.518 3.503 20 0 HHADLP C[C@]1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000492085640 1000108911 /nfs/dbraw/zinc/10/89/11/1000108911.db2.gz YVTMYLJOGYVPJD-HSZRJFAPSA-N 2 2 404.518 3.503 20 0 HHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492266592 1000119035 /nfs/dbraw/zinc/11/90/35/1000119035.db2.gz BTCARQGKEKFJNR-UHFFFAOYSA-N 2 2 412.563 3.764 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505136796 1000570442 /nfs/dbraw/zinc/57/04/42/1000570442.db2.gz UNQYIJZCESEHJX-FQEVSTJZSA-N 2 2 416.447 3.983 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000494834019 1000685319 /nfs/dbraw/zinc/68/53/19/1000685319.db2.gz CPIGHTFPRUODHV-UHFFFAOYSA-N 2 2 403.876 3.647 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505339980 1000712406 /nfs/dbraw/zinc/71/24/06/1000712406.db2.gz QTTIQTCFRZDKRK-FXAWDEMLSA-N 2 2 422.411 3.776 20 0 HHADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000505589730 1000923259 /nfs/dbraw/zinc/92/32/59/1000923259.db2.gz ARAWXIBCRLCQTC-JOCHJYFZSA-N 2 2 408.590 3.557 20 0 HHADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000505589730 1000923263 /nfs/dbraw/zinc/92/32/63/1000923263.db2.gz ARAWXIBCRLCQTC-JOCHJYFZSA-N 2 2 408.590 3.557 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850846 1001060492 /nfs/dbraw/zinc/06/04/92/1001060492.db2.gz JHDQUXRALWLEOV-MURVUTHMSA-N 2 2 405.542 3.635 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850846 1001060501 /nfs/dbraw/zinc/06/05/01/1001060501.db2.gz JHDQUXRALWLEOV-MURVUTHMSA-N 2 2 405.542 3.635 20 0 HHADLP Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495831994 1001083080 /nfs/dbraw/zinc/08/30/80/1001083080.db2.gz LJXYPXRNKBEPNO-UHFFFAOYSA-N 2 2 421.010 3.870 20 0 HHADLP Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495831994 1001083083 /nfs/dbraw/zinc/08/30/83/1001083083.db2.gz LJXYPXRNKBEPNO-UHFFFAOYSA-N 2 2 421.010 3.870 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)cn2c1 ZINC000496265071 1001149072 /nfs/dbraw/zinc/14/90/72/1001149072.db2.gz UXBAAYOXVOIJQT-UHFFFAOYSA-N 2 2 414.550 3.605 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497466498 1001381693 /nfs/dbraw/zinc/38/16/93/1001381693.db2.gz HNRDESVEFNRWCC-FGZHOGPDSA-N 2 2 408.452 3.701 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497466498 1001381695 /nfs/dbraw/zinc/38/16/95/1001381695.db2.gz HNRDESVEFNRWCC-FGZHOGPDSA-N 2 2 408.452 3.701 20 0 HHADLP C[N@H+](CCCOc1ccccc1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506923902 1001595792 /nfs/dbraw/zinc/59/57/92/1001595792.db2.gz UEJRSNIJUMLHTP-UHFFFAOYSA-N 2 2 413.587 3.575 20 0 HHADLP C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506923902 1001595797 /nfs/dbraw/zinc/59/57/97/1001595797.db2.gz UEJRSNIJUMLHTP-UHFFFAOYSA-N 2 2 413.587 3.575 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507043229 1001778446 /nfs/dbraw/zinc/77/84/46/1001778446.db2.gz XURDARZHSVFYIF-JTHBVZDNSA-N 2 2 423.605 3.974 20 0 HHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185428 1001875565 /nfs/dbraw/zinc/87/55/65/1001875565.db2.gz XQOJSSDCIPHOFF-WOJBJXKFSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185428 1001875572 /nfs/dbraw/zinc/87/55/72/1001875572.db2.gz XQOJSSDCIPHOFF-WOJBJXKFSA-N 2 2 401.599 3.763 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000498779253 1002164490 /nfs/dbraw/zinc/16/44/90/1002164490.db2.gz YZZTWSARRQQJGO-UHFFFAOYSA-N 2 2 416.393 3.637 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000498779253 1002164502 /nfs/dbraw/zinc/16/45/02/1002164502.db2.gz YZZTWSARRQQJGO-UHFFFAOYSA-N 2 2 416.393 3.637 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595872 1002203125 /nfs/dbraw/zinc/20/31/25/1002203125.db2.gz AJUYTVYRCKWTGE-HJNYFJLDSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[N@H+]1Cc1ccccc1 ZINC000507595872 1002203137 /nfs/dbraw/zinc/20/31/37/1002203137.db2.gz AJUYTVYRCKWTGE-HJNYFJLDSA-N 2 2 421.589 3.771 20 0 HHADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000507939606 1002473460 /nfs/dbraw/zinc/47/34/60/1002473460.db2.gz ZPSHMKARSZSUOC-UHFFFAOYSA-N 2 2 401.595 3.689 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000499315628 1002722059 /nfs/dbraw/zinc/72/20/59/1002722059.db2.gz YHONBVGIPBSLCK-CYFREDJKSA-N 2 2 417.557 3.810 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000499315628 1002722072 /nfs/dbraw/zinc/72/20/72/1002722072.db2.gz YHONBVGIPBSLCK-CYFREDJKSA-N 2 2 417.557 3.810 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000508395062 1002885980 /nfs/dbraw/zinc/88/59/80/1002885980.db2.gz APJKUUGTKBBFAU-QFIPXVFZSA-N 2 2 404.514 3.507 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772888 1003110464 /nfs/dbraw/zinc/11/04/64/1003110464.db2.gz RGPAPSGUXVYNSX-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772888 1003110469 /nfs/dbraw/zinc/11/04/69/1003110469.db2.gz RGPAPSGUXVYNSX-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508889498 1003317206 /nfs/dbraw/zinc/31/72/06/1003317206.db2.gz DQMSWHWIJGIOBJ-AVRDEDQJSA-N 2 2 409.578 3.800 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000508979471 1003451183 /nfs/dbraw/zinc/45/11/83/1003451183.db2.gz SNTXDLNOAIERBF-FQEVSTJZSA-N 2 2 406.574 3.898 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000509108932 1003558902 /nfs/dbraw/zinc/55/89/02/1003558902.db2.gz KFFVKEJDGQLCHU-VXKWHMMOSA-N 2 2 415.965 3.905 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000509312839 1003700774 /nfs/dbraw/zinc/70/07/74/1003700774.db2.gz YYMGSTXBBVUPTB-LEWJYISDSA-N 2 2 416.610 3.596 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000509312839 1003700767 /nfs/dbraw/zinc/70/07/67/1003700767.db2.gz YYMGSTXBBVUPTB-LEWJYISDSA-N 2 2 416.610 3.596 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1)c1ccccc1 ZINC000500447429 1003724190 /nfs/dbraw/zinc/72/41/90/1003724190.db2.gz LSRLCYOIOPPHBV-LJQANCHMSA-N 2 2 404.514 3.502 20 0 HHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830914 1003803914 /nfs/dbraw/zinc/80/39/14/1003803914.db2.gz FBSIKYSLNUGTOO-PMACEKPBSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830914 1003803934 /nfs/dbraw/zinc/80/39/34/1003803934.db2.gz FBSIKYSLNUGTOO-PMACEKPBSA-N 2 2 405.464 3.699 20 0 HHADLP CC(C)N1C(=O)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511987215 1003937941 /nfs/dbraw/zinc/93/79/41/1003937941.db2.gz FVJHXJDQHSVKDD-YLJYHZDGSA-N 2 2 424.973 3.837 20 0 HHADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000509596987 1003970181 /nfs/dbraw/zinc/97/01/81/1003970181.db2.gz WQATUVIOSMLGMR-YLJYHZDGSA-N 2 2 413.566 3.831 20 0 HHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000509596986 1003970390 /nfs/dbraw/zinc/97/03/90/1003970390.db2.gz WQATUVIOSMLGMR-XLIONFOSSA-N 2 2 413.566 3.831 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)cn2c1 ZINC000500821326 1003981241 /nfs/dbraw/zinc/98/12/41/1003981241.db2.gz JUYAWNROEFTVJK-GGPKGHCWSA-N 2 2 400.592 3.740 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128551 1004043596 /nfs/dbraw/zinc/04/35/96/1004043596.db2.gz GUAXVLIZIYDTIZ-HIFRSBDPSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128551 1004043606 /nfs/dbraw/zinc/04/36/06/1004043606.db2.gz GUAXVLIZIYDTIZ-HIFRSBDPSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154086 1004062208 /nfs/dbraw/zinc/06/22/08/1004062208.db2.gz WYHILPOICLMKMX-SQJMNOBHSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154086 1004062218 /nfs/dbraw/zinc/06/22/18/1004062218.db2.gz WYHILPOICLMKMX-SQJMNOBHSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509772479 1004085775 /nfs/dbraw/zinc/08/57/75/1004085775.db2.gz AUXJZKOOQCIJNA-OFNKIYASSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000509772479 1004085782 /nfs/dbraw/zinc/08/57/82/1004085782.db2.gz AUXJZKOOQCIJNA-OFNKIYASSA-N 2 2 417.557 3.972 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000500991965 1004099188 /nfs/dbraw/zinc/09/91/88/1004099188.db2.gz XMKPCFTWIVWTGG-LJQANCHMSA-N 2 2 410.965 3.791 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198958 1004100474 /nfs/dbraw/zinc/10/04/74/1004100474.db2.gz BMGPQHSIMPHITC-IFMALSPDSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198958 1004100482 /nfs/dbraw/zinc/10/04/82/1004100482.db2.gz BMGPQHSIMPHITC-IFMALSPDSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198958 1004100487 /nfs/dbraw/zinc/10/04/87/1004100487.db2.gz BMGPQHSIMPHITC-IFMALSPDSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198958 1004100493 /nfs/dbraw/zinc/10/04/93/1004100493.db2.gz BMGPQHSIMPHITC-IFMALSPDSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000512220028 1004121284 /nfs/dbraw/zinc/12/12/84/1004121284.db2.gz TYTINRFCTHTWHY-KRWDZBQOSA-N 2 2 417.981 3.745 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000512220028 1004121287 /nfs/dbraw/zinc/12/12/87/1004121287.db2.gz TYTINRFCTHTWHY-KRWDZBQOSA-N 2 2 417.981 3.745 20 0 HHADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509851852 1004148476 /nfs/dbraw/zinc/14/84/76/1004148476.db2.gz PIVORINRTVIOOM-KKXNLOMOSA-N 2 2 407.986 3.610 20 0 HHADLP CCC(CC)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000512410200 1004278352 /nfs/dbraw/zinc/27/83/52/1004278352.db2.gz GAMZMPXPPHDTMP-CTNGQTDRSA-N 2 2 409.578 3.869 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512539354 1004370760 /nfs/dbraw/zinc/37/07/60/1004370760.db2.gz COXPMYDBDJZNHT-NFBKMPQASA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000512539354 1004370765 /nfs/dbraw/zinc/37/07/65/1004370765.db2.gz COXPMYDBDJZNHT-NFBKMPQASA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501496037 1004465850 /nfs/dbraw/zinc/46/58/50/1004465850.db2.gz RIIGXQVSIRIJMI-LWYYNNOASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501496037 1004465853 /nfs/dbraw/zinc/46/58/53/1004465853.db2.gz RIIGXQVSIRIJMI-LWYYNNOASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501496037 1004465859 /nfs/dbraw/zinc/46/58/59/1004465859.db2.gz RIIGXQVSIRIJMI-LWYYNNOASA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501496037 1004465865 /nfs/dbraw/zinc/46/58/65/1004465865.db2.gz RIIGXQVSIRIJMI-LWYYNNOASA-N 2 2 402.583 3.680 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512662775 1004473043 /nfs/dbraw/zinc/47/30/43/1004473043.db2.gz AOOLIKWYSBKKBP-SZPZYZBQSA-N 2 2 423.649 3.847 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512662775 1004473052 /nfs/dbraw/zinc/47/30/52/1004473052.db2.gz AOOLIKWYSBKKBP-SZPZYZBQSA-N 2 2 423.649 3.847 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000512669019 1004478548 /nfs/dbraw/zinc/47/85/48/1004478548.db2.gz PRFKQROFCPQILK-FGZHOGPDSA-N 2 2 408.590 3.651 20 0 HHADLP COc1cccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)c1 ZINC000510329151 1004485974 /nfs/dbraw/zinc/48/59/74/1004485974.db2.gz KZVQTDVEORCPMP-QHCPKHFHSA-N 2 2 404.514 3.756 20 0 HHADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512678792 1004487409 /nfs/dbraw/zinc/48/74/09/1004487409.db2.gz SAHLNARIPJHETN-FQEVSTJZSA-N 2 2 419.548 3.803 20 0 HHADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512678792 1004487412 /nfs/dbraw/zinc/48/74/12/1004487412.db2.gz SAHLNARIPJHETN-FQEVSTJZSA-N 2 2 419.548 3.803 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000510384724 1004526030 /nfs/dbraw/zinc/52/60/30/1004526030.db2.gz YWFWKJUHRISYSU-UHFFFAOYSA-N 2 2 409.505 3.982 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000510384724 1004526032 /nfs/dbraw/zinc/52/60/32/1004526032.db2.gz YWFWKJUHRISYSU-UHFFFAOYSA-N 2 2 409.505 3.982 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC(C)(c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000512820472 1004580019 /nfs/dbraw/zinc/58/00/19/1004580019.db2.gz IWVICKZVZNCDPU-UHFFFAOYSA-N 2 2 412.622 3.700 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512847878 1004610710 /nfs/dbraw/zinc/61/07/10/1004610710.db2.gz XBOJGCIDBIXMQQ-GOSISDBHSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512847878 1004610715 /nfs/dbraw/zinc/61/07/15/1004610715.db2.gz XBOJGCIDBIXMQQ-GOSISDBHSA-N 2 2 421.467 3.592 20 0 HHADLP Cc1csc(N2CCC([NH2+]CC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)CC2)n1 ZINC000513207757 1004861041 /nfs/dbraw/zinc/86/10/41/1004861041.db2.gz FQRVHEIAZBAAOU-IBGZPJMESA-N 2 2 414.619 3.910 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000510813836 1004869236 /nfs/dbraw/zinc/86/92/36/1004869236.db2.gz RXMBNLGVWKTMMO-SOAGJPPSSA-N 2 2 419.997 3.753 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000510813836 1004869240 /nfs/dbraw/zinc/86/92/40/1004869240.db2.gz RXMBNLGVWKTMMO-SOAGJPPSSA-N 2 2 419.997 3.753 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513405255 1004948262 /nfs/dbraw/zinc/94/82/62/1004948262.db2.gz FUQAQXJTYHMMPK-YXPKMTABSA-N 2 2 406.574 3.665 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513405255 1004948266 /nfs/dbraw/zinc/94/82/66/1004948266.db2.gz FUQAQXJTYHMMPK-YXPKMTABSA-N 2 2 406.574 3.665 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000513449146 1004971693 /nfs/dbraw/zinc/97/16/93/1004971693.db2.gz XVYFMYIGCNJQGF-UHFFFAOYSA-N 2 2 410.558 3.952 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000513449146 1004971696 /nfs/dbraw/zinc/97/16/96/1004971696.db2.gz XVYFMYIGCNJQGF-UHFFFAOYSA-N 2 2 410.558 3.952 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000513472801 1004981716 /nfs/dbraw/zinc/98/17/16/1004981716.db2.gz MIGLZFYPARLTIS-JOCHJYFZSA-N 2 2 414.981 3.526 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000513472801 1004981722 /nfs/dbraw/zinc/98/17/22/1004981722.db2.gz MIGLZFYPARLTIS-JOCHJYFZSA-N 2 2 414.981 3.526 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000502323494 1005011896 /nfs/dbraw/zinc/01/18/96/1005011896.db2.gz FGVYEEILPWWFHE-QHCPKHFHSA-N 2 2 407.562 3.907 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000502323494 1005011901 /nfs/dbraw/zinc/01/19/01/1005011901.db2.gz FGVYEEILPWWFHE-QHCPKHFHSA-N 2 2 407.562 3.907 20 0 HHADLP FC(F)Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502324542 1005012997 /nfs/dbraw/zinc/01/29/97/1005012997.db2.gz DIOSAZDMNOOFSD-CQSZACIVSA-N 2 2 405.445 3.929 20 0 HHADLP FC(F)Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502324542 1005013004 /nfs/dbraw/zinc/01/30/04/1005013004.db2.gz DIOSAZDMNOOFSD-CQSZACIVSA-N 2 2 405.445 3.929 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000502329147 1005015215 /nfs/dbraw/zinc/01/52/15/1005015215.db2.gz YVYHRKXARUZQQF-AVCGJXAMSA-N 2 2 416.562 3.620 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000502329147 1005015220 /nfs/dbraw/zinc/01/52/20/1005015220.db2.gz YVYHRKXARUZQQF-AVCGJXAMSA-N 2 2 416.562 3.620 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000513547430 1005016451 /nfs/dbraw/zinc/01/64/51/1005016451.db2.gz CFVIUIWBIABYOA-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513547430 1005016459 /nfs/dbraw/zinc/01/64/59/1005016459.db2.gz CFVIUIWBIABYOA-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366872 1005141447 /nfs/dbraw/zinc/14/14/47/1005141447.db2.gz LBZVAZDAOMCIJK-FCHUYYIVSA-N 2 2 405.945 3.702 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1)C1CC1 ZINC000511390550 1005153579 /nfs/dbraw/zinc/15/35/79/1005153579.db2.gz JUGRHOYLCMLFFE-UHFFFAOYSA-N 2 2 402.542 3.888 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1)C1CC1 ZINC000511390550 1005153591 /nfs/dbraw/zinc/15/35/91/1005153591.db2.gz JUGRHOYLCMLFFE-UHFFFAOYSA-N 2 2 402.542 3.888 20 0 HHADLP CN1CCO[C@H]([C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccc(Cl)cc2)C1 ZINC000511398842 1005157805 /nfs/dbraw/zinc/15/78/05/1005157805.db2.gz NCAIQBWKDZPOJA-GOTSBHOMSA-N 2 2 410.949 3.746 20 0 HHADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513897786 1005178125 /nfs/dbraw/zinc/17/81/25/1005178125.db2.gz XTLWYQSCYACTHE-INIZCTEOSA-N 2 2 404.555 3.840 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000502710247 1005187185 /nfs/dbraw/zinc/18/71/85/1005187185.db2.gz DRUOJRHZOFYLNN-HXUWFJFHSA-N 2 2 407.558 3.510 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000502710247 1005187186 /nfs/dbraw/zinc/18/71/86/1005187186.db2.gz DRUOJRHZOFYLNN-HXUWFJFHSA-N 2 2 407.558 3.510 20 0 HHADLP CCC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000513985247 1005214166 /nfs/dbraw/zinc/21/41/66/1005214166.db2.gz MJRSLBZNCLOCJZ-UHFFFAOYSA-N 2 2 423.605 3.754 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000514030170 1005235182 /nfs/dbraw/zinc/23/51/82/1005235182.db2.gz BMDAICXQOVQUHY-UHFFFAOYSA-N 2 2 423.948 3.990 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(C(=O)OC)cs3)cc2)CC1 ZINC000514098483 1005264572 /nfs/dbraw/zinc/26/45/72/1005264572.db2.gz HHTFNOVVCUJTHN-KRWDZBQOSA-N 2 2 401.576 3.523 20 0 HHADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000514235514 1005325587 /nfs/dbraw/zinc/32/55/87/1005325587.db2.gz DEHDJFLEUOAMKB-QFBILLFUSA-N 2 2 410.965 3.647 20 0 HHADLP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000514235514 1005325596 /nfs/dbraw/zinc/32/55/96/1005325596.db2.gz DEHDJFLEUOAMKB-QFBILLFUSA-N 2 2 410.965 3.647 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000514235515 1005325797 /nfs/dbraw/zinc/32/57/97/1005325797.db2.gz DEHDJFLEUOAMKB-VQIMIIECSA-N 2 2 410.965 3.647 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000514235515 1005325802 /nfs/dbraw/zinc/32/58/02/1005325802.db2.gz DEHDJFLEUOAMKB-VQIMIIECSA-N 2 2 410.965 3.647 20 0 HHADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503061748 1005332620 /nfs/dbraw/zinc/33/26/20/1005332620.db2.gz BDMKARXRZYFRRY-UHFFFAOYSA-N 2 2 421.520 3.817 20 0 HHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073520 1005338270 /nfs/dbraw/zinc/33/82/70/1005338270.db2.gz HQISGEGVCRHZSJ-ZIFCJYIRSA-N 2 2 401.580 3.977 20 0 HHADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073520 1005338274 /nfs/dbraw/zinc/33/82/74/1005338274.db2.gz HQISGEGVCRHZSJ-ZIFCJYIRSA-N 2 2 401.580 3.977 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411227 1005412064 /nfs/dbraw/zinc/41/20/64/1005412064.db2.gz CZHKGVNQEFMBPI-IEBWSBKVSA-N 2 2 403.954 3.801 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411227 1005412067 /nfs/dbraw/zinc/41/20/67/1005412067.db2.gz CZHKGVNQEFMBPI-IEBWSBKVSA-N 2 2 403.954 3.801 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503436960 1005419771 /nfs/dbraw/zinc/41/97/71/1005419771.db2.gz DUOGXNFWMLXRQE-NRFANRHFSA-N 2 2 406.574 3.898 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503436960 1005419772 /nfs/dbraw/zinc/41/97/72/1005419772.db2.gz DUOGXNFWMLXRQE-NRFANRHFSA-N 2 2 406.574 3.898 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000503638766 1005470889 /nfs/dbraw/zinc/47/08/89/1005470889.db2.gz ANOQMMOPIZPRNG-FQEVSTJZSA-N 2 2 405.011 3.599 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000503638766 1005470891 /nfs/dbraw/zinc/47/08/91/1005470891.db2.gz ANOQMMOPIZPRNG-FQEVSTJZSA-N 2 2 405.011 3.599 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503949888 1005517767 /nfs/dbraw/zinc/51/77/67/1005517767.db2.gz AWFPBDAPODLEGI-HXUWFJFHSA-N 2 2 420.395 3.577 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000514438064 1005990898 /nfs/dbraw/zinc/99/08/98/1005990898.db2.gz IZYZNEYAMYINGO-JOCHJYFZSA-N 2 2 409.578 3.954 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC000531188818 1006034519 /nfs/dbraw/zinc/03/45/19/1006034519.db2.gz KFXUVROVJDNJNN-SFHVURJKSA-N 2 2 406.530 3.729 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139906 1006119954 /nfs/dbraw/zinc/11/99/54/1006119954.db2.gz PZAKLJLOZSUFKV-LEWJYISDSA-N 2 2 400.954 3.758 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139906 1006119961 /nfs/dbraw/zinc/11/99/61/1006119961.db2.gz PZAKLJLOZSUFKV-LEWJYISDSA-N 2 2 400.954 3.758 20 0 HHADLP CC[N@H+](CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534176947 1006162998 /nfs/dbraw/zinc/16/29/98/1006162998.db2.gz HUKRURADGXBMIH-IBGZPJMESA-N 2 2 421.010 3.614 20 0 HHADLP CC[N@@H+](CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534176947 1006163001 /nfs/dbraw/zinc/16/30/01/1006163001.db2.gz HUKRURADGXBMIH-IBGZPJMESA-N 2 2 421.010 3.614 20 0 HHADLP CN(c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC[NH+](C)CC1 ZINC000531597834 1006296494 /nfs/dbraw/zinc/29/64/94/1006296494.db2.gz CPMPBAUCNYATIZ-UHFFFAOYSA-N 3 2 407.537 3.832 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358802 1006321692 /nfs/dbraw/zinc/32/16/92/1006321692.db2.gz MEYBKXOQJALFHM-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358802 1006321704 /nfs/dbraw/zinc/32/17/04/1006321704.db2.gz MEYBKXOQJALFHM-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP COc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358930 1006321888 /nfs/dbraw/zinc/32/18/88/1006321888.db2.gz PLSCHSGQINLBHN-DHIUTWEWSA-N 2 2 424.589 3.653 20 0 HHADLP COc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358930 1006321899 /nfs/dbraw/zinc/32/18/99/1006321899.db2.gz PLSCHSGQINLBHN-DHIUTWEWSA-N 2 2 424.589 3.653 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360486 1006324139 /nfs/dbraw/zinc/32/41/39/1006324139.db2.gz NDYNJUQUSKGHLZ-WQTXXOFMSA-N 2 2 423.548 3.528 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360486 1006324151 /nfs/dbraw/zinc/32/41/51/1006324151.db2.gz NDYNJUQUSKGHLZ-WQTXXOFMSA-N 2 2 423.548 3.528 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360484 1006324684 /nfs/dbraw/zinc/32/46/84/1006324684.db2.gz NDYNJUQUSKGHLZ-SSKFGXFMSA-N 2 2 423.548 3.528 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360484 1006324697 /nfs/dbraw/zinc/32/46/97/1006324697.db2.gz NDYNJUQUSKGHLZ-SSKFGXFMSA-N 2 2 423.548 3.528 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361123 1006325330 /nfs/dbraw/zinc/32/53/30/1006325330.db2.gz SMGBIARLHSAPJR-VQTJNVASSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361123 1006325338 /nfs/dbraw/zinc/32/53/38/1006325338.db2.gz SMGBIARLHSAPJR-VQTJNVASSA-N 2 2 420.667 3.779 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361258 1006326345 /nfs/dbraw/zinc/32/63/45/1006326345.db2.gz WQCNVYTVPQIPQL-GOTSBHOMSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361258 1006326350 /nfs/dbraw/zinc/32/63/50/1006326350.db2.gz WQCNVYTVPQIPQL-GOTSBHOMSA-N 2 2 410.606 3.814 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361605 1006326980 /nfs/dbraw/zinc/32/69/80/1006326980.db2.gz NAEHOQUNLXMEOT-MOPGFXCFSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361605 1006326990 /nfs/dbraw/zinc/32/69/90/1006326990.db2.gz NAEHOQUNLXMEOT-MOPGFXCFSA-N 2 2 406.640 3.850 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376296 1006344253 /nfs/dbraw/zinc/34/42/53/1006344253.db2.gz ZOUHEVNFQJNXAQ-QDSKXPNFSA-N 2 2 414.638 3.986 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376296 1006344259 /nfs/dbraw/zinc/34/42/59/1006344259.db2.gz ZOUHEVNFQJNXAQ-QDSKXPNFSA-N 2 2 414.638 3.986 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534377492 1006346028 /nfs/dbraw/zinc/34/60/28/1006346028.db2.gz ZOZSSOXINVYDFV-ROUUACIJSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534377492 1006346038 /nfs/dbraw/zinc/34/60/38/1006346038.db2.gz ZOZSSOXINVYDFV-ROUUACIJSA-N 2 2 410.965 3.833 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677278 1006348474 /nfs/dbraw/zinc/34/84/74/1006348474.db2.gz FJSJWWNYBOPTEK-AVRDEDQJSA-N 3 2 409.603 3.882 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677280 1006349227 /nfs/dbraw/zinc/34/92/27/1006349227.db2.gz FJSJWWNYBOPTEK-PGRDOPGGSA-N 3 2 409.603 3.882 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381912 1006351421 /nfs/dbraw/zinc/35/14/21/1006351421.db2.gz JZGGTSCERSADMW-DZFGPLHGSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381912 1006351432 /nfs/dbraw/zinc/35/14/32/1006351432.db2.gz JZGGTSCERSADMW-DZFGPLHGSA-N 2 2 422.976 3.884 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385220 1006358221 /nfs/dbraw/zinc/35/82/21/1006358221.db2.gz UFDRHWSXKWHWGD-OYNPSCLESA-N 2 2 410.672 3.639 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385220 1006358231 /nfs/dbraw/zinc/35/82/31/1006358231.db2.gz UFDRHWSXKWHWGD-OYNPSCLESA-N 2 2 410.672 3.639 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1 ZINC000531722454 1006379536 /nfs/dbraw/zinc/37/95/36/1006379536.db2.gz FKOKWZSNXPEEAE-LDQXTDLNSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1 ZINC000531722454 1006379543 /nfs/dbraw/zinc/37/95/43/1006379543.db2.gz FKOKWZSNXPEEAE-LDQXTDLNSA-N 2 2 403.364 3.983 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515385312 1006430519 /nfs/dbraw/zinc/43/05/19/1006430519.db2.gz WTUYYXNCHBMVBT-LJQANCHMSA-N 2 2 413.591 3.915 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515385312 1006430527 /nfs/dbraw/zinc/43/05/27/1006430527.db2.gz WTUYYXNCHBMVBT-LJQANCHMSA-N 2 2 413.591 3.915 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000515471859 1006485075 /nfs/dbraw/zinc/48/50/75/1006485075.db2.gz HVGDMSLDXGGNIM-FBBABVLZSA-N 2 2 401.576 3.615 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000534520804 1006516900 /nfs/dbraw/zinc/51/69/00/1006516900.db2.gz SGXOZNWKNNISGL-LJQANCHMSA-N 2 2 406.621 3.720 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954098 1006543123 /nfs/dbraw/zinc/54/31/23/1006543123.db2.gz FNNZRGDPHIIDRD-XMSQKQJNSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954098 1006543132 /nfs/dbraw/zinc/54/31/32/1006543132.db2.gz FNNZRGDPHIIDRD-XMSQKQJNSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000531958769 1006546887 /nfs/dbraw/zinc/54/68/87/1006546887.db2.gz ZBKRSYFMGSSCSE-SQJMNOBHSA-N 2 2 403.574 3.571 20 0 HHADLP COc1ccc2oc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(C)c2c1 ZINC000531964262 1006549688 /nfs/dbraw/zinc/54/96/88/1006549688.db2.gz JIZHEEBFRHCSPB-GOSISDBHSA-N 2 2 422.529 3.534 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983107 1006559019 /nfs/dbraw/zinc/55/90/19/1006559019.db2.gz QNJGQHVHGRMHDN-GMAHTHKFSA-N 2 2 402.542 3.698 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983107 1006559029 /nfs/dbraw/zinc/55/90/29/1006559029.db2.gz QNJGQHVHGRMHDN-GMAHTHKFSA-N 2 2 402.542 3.698 20 0 HHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000532015466 1006576767 /nfs/dbraw/zinc/57/67/67/1006576767.db2.gz MTPHISISFDMYQO-CVEARBPZSA-N 2 2 419.310 3.518 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccsc3)c3ccc(Cl)cc3)cn2)CC1 ZINC000532140444 1006666580 /nfs/dbraw/zinc/66/65/80/1006666580.db2.gz KFOQASHPZNMNBB-FQEVSTJZSA-N 2 2 413.978 3.823 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccsc3)c3ccc(Cl)cc3)cn2)CC1 ZINC000532140448 1006667015 /nfs/dbraw/zinc/66/70/15/1006667015.db2.gz KFOQASHPZNMNBB-HXUWFJFHSA-N 2 2 413.978 3.823 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000515804719 1006685241 /nfs/dbraw/zinc/68/52/41/1006685241.db2.gz LCNUZWNRXLNGFB-UHFFFAOYSA-N 2 2 413.610 3.870 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000515804719 1006685253 /nfs/dbraw/zinc/68/52/53/1006685253.db2.gz LCNUZWNRXLNGFB-UHFFFAOYSA-N 2 2 413.610 3.870 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000534724014 1006711030 /nfs/dbraw/zinc/71/10/30/1006711030.db2.gz XVBBMTQPTIKQHY-KEZOAJOQSA-N 2 2 415.541 3.856 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000534724014 1006711044 /nfs/dbraw/zinc/71/10/44/1006711044.db2.gz XVBBMTQPTIKQHY-KEZOAJOQSA-N 2 2 415.541 3.856 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000515844572 1006713523 /nfs/dbraw/zinc/71/35/23/1006713523.db2.gz FDKGLFMNLUWQGP-JOCHJYFZSA-N 2 2 424.614 3.585 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000515844572 1006713530 /nfs/dbraw/zinc/71/35/30/1006713530.db2.gz FDKGLFMNLUWQGP-JOCHJYFZSA-N 2 2 424.614 3.585 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000532219057 1006728911 /nfs/dbraw/zinc/72/89/11/1006728911.db2.gz GWZVYQMYWJMBPJ-HXUWFJFHSA-N 2 2 415.541 3.533 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000532219056 1006729355 /nfs/dbraw/zinc/72/93/55/1006729355.db2.gz GWZVYQMYWJMBPJ-FQEVSTJZSA-N 2 2 415.541 3.533 20 0 HHADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538464795 1006733614 /nfs/dbraw/zinc/73/36/14/1006733614.db2.gz IRMJOYZHNHPGGM-LJQANCHMSA-N 2 2 406.452 3.730 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496546 1006764774 /nfs/dbraw/zinc/76/47/74/1006764774.db2.gz PJACUEGOZRCNPW-PKTZIBPZSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496546 1006764788 /nfs/dbraw/zinc/76/47/88/1006764788.db2.gz PJACUEGOZRCNPW-PKTZIBPZSA-N 2 2 417.642 3.962 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000532296023 1006778643 /nfs/dbraw/zinc/77/86/43/1006778643.db2.gz QTMUTUVMNRCMLH-UHFFFAOYSA-N 3 2 406.618 3.973 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1Cl ZINC000532468373 1006906933 /nfs/dbraw/zinc/90/69/33/1006906933.db2.gz XREJUVZLFZHDIC-QGZVFWFLSA-N 2 2 404.938 3.910 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516215089 1006951303 /nfs/dbraw/zinc/95/13/03/1006951303.db2.gz FQLMMUVUCXSDHV-QHCPKHFHSA-N 2 2 409.622 3.647 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516215089 1006951316 /nfs/dbraw/zinc/95/13/16/1006951316.db2.gz FQLMMUVUCXSDHV-QHCPKHFHSA-N 2 2 409.622 3.647 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947994 1006989412 /nfs/dbraw/zinc/98/94/12/1006989412.db2.gz JSABDAUULBZTOU-FGZHOGPDSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534947994 1006989422 /nfs/dbraw/zinc/98/94/22/1006989422.db2.gz JSABDAUULBZTOU-FGZHOGPDSA-N 2 2 402.583 3.886 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccccc3OCc3ccncc3)[nH+]c2)C1 ZINC000532565409 1006996787 /nfs/dbraw/zinc/99/67/87/1006996787.db2.gz FANQROYBKBAWDN-QFIPXVFZSA-N 2 2 403.530 3.808 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516330981 1007021383 /nfs/dbraw/zinc/02/13/83/1007021383.db2.gz DGKKUJKYIJOPMN-PKTZIBPZSA-N 2 2 409.599 3.730 20 0 HHADLP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)CC1 ZINC000538774111 1007056015 /nfs/dbraw/zinc/05/60/15/1007056015.db2.gz UISBPCKRWQYWTN-JOCHJYFZSA-N 2 2 407.562 3.756 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535092979 1007107328 /nfs/dbraw/zinc/10/73/28/1007107328.db2.gz ARHKTNSPMZQKJO-LEOXJPRUSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535092979 1007107333 /nfs/dbraw/zinc/10/73/33/1007107333.db2.gz ARHKTNSPMZQKJO-LEOXJPRUSA-N 2 2 403.586 3.800 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093514 1007108148 /nfs/dbraw/zinc/10/81/48/1007108148.db2.gz DNYVJHLRRLPYNU-KKXYHZGYSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093514 1007108152 /nfs/dbraw/zinc/10/81/52/1007108152.db2.gz DNYVJHLRRLPYNU-KKXYHZGYSA-N 2 2 419.560 3.864 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093783 1007108174 /nfs/dbraw/zinc/10/81/74/1007108174.db2.gz FDEFHUOCTWERNW-FGZHOGPDSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093783 1007108180 /nfs/dbraw/zinc/10/81/80/1007108180.db2.gz FDEFHUOCTWERNW-FGZHOGPDSA-N 2 2 406.014 3.987 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095085 1007110864 /nfs/dbraw/zinc/11/08/64/1007110864.db2.gz JRKDFBTYWIITGR-PMACEKPBSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095085 1007110869 /nfs/dbraw/zinc/11/08/69/1007110869.db2.gz JRKDFBTYWIITGR-PMACEKPBSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096255 1007114595 /nfs/dbraw/zinc/11/45/95/1007114595.db2.gz NEAOKKAQRLXDLL-DQEYMECFSA-N 2 2 424.633 3.907 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096255 1007114600 /nfs/dbraw/zinc/11/46/00/1007114600.db2.gz NEAOKKAQRLXDLL-DQEYMECFSA-N 2 2 424.633 3.907 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108798 1007133538 /nfs/dbraw/zinc/13/35/38/1007133538.db2.gz BVKLSWGNRAFPBU-BJKOFHAPSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108798 1007133546 /nfs/dbraw/zinc/13/35/46/1007133546.db2.gz BVKLSWGNRAFPBU-BJKOFHAPSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)N[C@@H]1CCCc2occc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535112502 1007138580 /nfs/dbraw/zinc/13/85/80/1007138580.db2.gz QIKHPJUTQWSXJM-NJYVYQBISA-N 2 2 402.583 3.636 20 0 HHADLP CN(C(=O)N[C@@H]1CCCc2occc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535112502 1007138584 /nfs/dbraw/zinc/13/85/84/1007138584.db2.gz QIKHPJUTQWSXJM-NJYVYQBISA-N 2 2 402.583 3.636 20 0 HHADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1c1c(F)cccc1F ZINC000538868611 1007146535 /nfs/dbraw/zinc/14/65/35/1007146535.db2.gz AOQYRNWYKUQYEB-LJQANCHMSA-N 2 2 417.475 3.506 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120337 1007152841 /nfs/dbraw/zinc/15/28/41/1007152841.db2.gz GDBUHPPAFVTTJN-PKTZIBPZSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120337 1007152845 /nfs/dbraw/zinc/15/28/45/1007152845.db2.gz GDBUHPPAFVTTJN-PKTZIBPZSA-N 2 2 416.610 3.564 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121487 1007153413 /nfs/dbraw/zinc/15/34/13/1007153413.db2.gz NRWABIJQPXRXII-OFAXGOBFSA-N 2 2 416.610 3.735 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121487 1007153422 /nfs/dbraw/zinc/15/34/22/1007153422.db2.gz NRWABIJQPXRXII-OFAXGOBFSA-N 2 2 416.610 3.735 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121911 1007154613 /nfs/dbraw/zinc/15/46/13/1007154613.db2.gz NRWABIJQPXRXII-TZYHBYERSA-N 2 2 416.610 3.735 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121911 1007154619 /nfs/dbraw/zinc/15/46/19/1007154619.db2.gz NRWABIJQPXRXII-TZYHBYERSA-N 2 2 416.610 3.735 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000532784615 1007181141 /nfs/dbraw/zinc/18/11/41/1007181141.db2.gz VFUSUFVTIGMRHG-UHFFFAOYSA-N 2 2 415.541 3.761 20 0 HHADLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2nnc(C(C)(C)C)s2)CC1)CC1CC1 ZINC000538947546 1007233307 /nfs/dbraw/zinc/23/33/07/1007233307.db2.gz FQZBNMWGYDZBMN-UHFFFAOYSA-N 2 2 407.628 3.608 20 0 HHADLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2nnc(C(C)(C)C)s2)CC1)CC1CC1 ZINC000538947546 1007233318 /nfs/dbraw/zinc/23/33/18/1007233318.db2.gz FQZBNMWGYDZBMN-UHFFFAOYSA-N 2 2 407.628 3.608 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000532966886 1007332709 /nfs/dbraw/zinc/33/27/09/1007332709.db2.gz ZJPQQFCCTXNWKI-GOSISDBHSA-N 2 2 411.977 3.867 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000532966886 1007332718 /nfs/dbraw/zinc/33/27/18/1007332718.db2.gz ZJPQQFCCTXNWKI-GOSISDBHSA-N 2 2 411.977 3.867 20 0 HHADLP C[C@H](C[NH+]1CCC[C@@H](OCC(F)(F)F)C1)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532968846 1007335387 /nfs/dbraw/zinc/33/53/87/1007335387.db2.gz WYZNULOZKAIZGK-PHZGNYQRSA-N 2 2 420.438 3.709 20 0 HHADLP C[C@H](C[NH+]1CCC[C@@H](OCC(F)(F)F)C1)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532968846 1007335402 /nfs/dbraw/zinc/33/54/02/1007335402.db2.gz WYZNULOZKAIZGK-PHZGNYQRSA-N 2 2 420.438 3.709 20 0 HHADLP C[C@@H](C[NH+]1CCC[C@H](OCC(F)(F)F)C1)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532968846 1007335417 /nfs/dbraw/zinc/33/54/17/1007335417.db2.gz WYZNULOZKAIZGK-PHZGNYQRSA-N 2 2 420.438 3.709 20 0 HHADLP C[C@@H](C[NH+]1CCC[C@H](OCC(F)(F)F)C1)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532968846 1007335434 /nfs/dbraw/zinc/33/54/34/1007335434.db2.gz WYZNULOZKAIZGK-PHZGNYQRSA-N 2 2 420.438 3.709 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000532986505 1007358021 /nfs/dbraw/zinc/35/80/21/1007358021.db2.gz JUYKQJUMXOMNFX-QFIPXVFZSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000532986505 1007358036 /nfs/dbraw/zinc/35/80/36/1007358036.db2.gz JUYKQJUMXOMNFX-QFIPXVFZSA-N 2 2 422.573 3.518 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000535325655 1007378655 /nfs/dbraw/zinc/37/86/55/1007378655.db2.gz IOIOIADGKRPODX-UHFFFAOYSA-N 2 2 401.514 3.985 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@@H](C)O1 ZINC000539148590 1007444611 /nfs/dbraw/zinc/44/46/11/1007444611.db2.gz WREOMJSOFFHLPY-QZTJIDSGSA-N 2 2 417.525 3.571 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177927 1007519798 /nfs/dbraw/zinc/51/97/98/1007519798.db2.gz MVWSEHCDBMIQEM-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177927 1007519806 /nfs/dbraw/zinc/51/98/06/1007519806.db2.gz MVWSEHCDBMIQEM-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP COC(=O)c1oc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000539250041 1007541986 /nfs/dbraw/zinc/54/19/86/1007541986.db2.gz UWVPWCVDKZUYBT-GOSISDBHSA-N 3 2 405.583 3.564 20 0 HHADLP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000539250041 1007541995 /nfs/dbraw/zinc/54/19/95/1007541995.db2.gz UWVPWCVDKZUYBT-GOSISDBHSA-N 3 2 405.583 3.564 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000535599237 1007611217 /nfs/dbraw/zinc/61/12/17/1007611217.db2.gz QKLQALOBUQFAGP-UHFFFAOYSA-N 2 2 404.986 3.559 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000535599237 1007611226 /nfs/dbraw/zinc/61/12/26/1007611226.db2.gz QKLQALOBUQFAGP-UHFFFAOYSA-N 2 2 404.986 3.559 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647993 1007656859 /nfs/dbraw/zinc/65/68/59/1007656859.db2.gz ZFNRIQRYHFQPEI-FCHUYYIVSA-N 2 2 401.599 3.554 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647993 1007656864 /nfs/dbraw/zinc/65/68/64/1007656864.db2.gz ZFNRIQRYHFQPEI-FCHUYYIVSA-N 2 2 401.599 3.554 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000517438594 1007660552 /nfs/dbraw/zinc/66/05/52/1007660552.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000517438594 1007660560 /nfs/dbraw/zinc/66/05/60/1007660560.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000517438594 1007660577 /nfs/dbraw/zinc/66/05/77/1007660577.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000517438594 1007660580 /nfs/dbraw/zinc/66/05/80/1007660580.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 2 2 420.189 3.992 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417116 1007725091 /nfs/dbraw/zinc/72/50/91/1007725091.db2.gz SDLHKQIQNYVPAR-OFVILXPXSA-N 2 2 416.569 3.804 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417116 1007725099 /nfs/dbraw/zinc/72/50/99/1007725099.db2.gz SDLHKQIQNYVPAR-OFVILXPXSA-N 2 2 416.569 3.804 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1F ZINC000535703715 1007742632 /nfs/dbraw/zinc/74/26/32/1007742632.db2.gz BKOMVWAICPXXCW-HXUWFJFHSA-N 2 2 406.933 3.643 20 0 HHADLP Clc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc2c1OCCCO2 ZINC000517541223 1007756472 /nfs/dbraw/zinc/75/64/72/1007756472.db2.gz XZWSLWIWYKILCK-UHFFFAOYSA-N 2 2 415.965 3.803 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461500 1007772598 /nfs/dbraw/zinc/77/25/98/1007772598.db2.gz VFBLGXSQEOFPJA-YYWHXJBOSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461500 1007772610 /nfs/dbraw/zinc/77/26/10/1007772610.db2.gz VFBLGXSQEOFPJA-YYWHXJBOSA-N 2 2 418.630 3.963 20 0 HHADLP Cn1c2ccc(Cl)cc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484767 1007793995 /nfs/dbraw/zinc/79/39/95/1007793995.db2.gz WPVMZEMCPYQFPO-UHFFFAOYSA-N 3 2 418.029 3.855 20 0 HHADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533484767 1007794008 /nfs/dbraw/zinc/79/40/08/1007794008.db2.gz WPVMZEMCPYQFPO-UHFFFAOYSA-N 3 2 418.029 3.855 20 0 HHADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539508366 1007817358 /nfs/dbraw/zinc/81/73/58/1007817358.db2.gz OBQHDHFVXGIFDR-XZOQPEGZSA-N 2 2 421.589 3.803 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539516067 1007826387 /nfs/dbraw/zinc/82/63/87/1007826387.db2.gz TYOJOVMXFMTJJW-AREMUKBSSA-N 2 2 418.585 3.583 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539516067 1007826399 /nfs/dbraw/zinc/82/63/99/1007826399.db2.gz TYOJOVMXFMTJJW-AREMUKBSSA-N 2 2 418.585 3.583 20 0 HHADLP O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533513652 1007833836 /nfs/dbraw/zinc/83/38/36/1007833836.db2.gz MIRWGMXPNKDLQD-XMMPIXPASA-N 2 2 411.521 3.727 20 0 HHADLP CCO[C@@H](C)c1noc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533531902 1007853238 /nfs/dbraw/zinc/85/32/38/1007853238.db2.gz HYGLDYYMSCIMHB-KRWDZBQOSA-N 2 2 416.570 3.880 20 0 HHADLP CCO[C@@H](C)c1noc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533531902 1007853248 /nfs/dbraw/zinc/85/32/48/1007853248.db2.gz HYGLDYYMSCIMHB-KRWDZBQOSA-N 2 2 416.570 3.880 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532737 1007854514 /nfs/dbraw/zinc/85/45/14/1007854514.db2.gz FMOSMWVCYOAWAN-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532737 1007854526 /nfs/dbraw/zinc/85/45/26/1007854526.db2.gz FMOSMWVCYOAWAN-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849384 1007862583 /nfs/dbraw/zinc/86/25/83/1007862583.db2.gz YZTFLBFQYXMWBP-SFTDATJTSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849384 1007862588 /nfs/dbraw/zinc/86/25/88/1007862588.db2.gz YZTFLBFQYXMWBP-SFTDATJTSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849936 1007863266 /nfs/dbraw/zinc/86/32/66/1007863266.db2.gz ZMJGZACYGPAVKU-RPWUZVMVSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849936 1007863273 /nfs/dbraw/zinc/86/32/73/1007863273.db2.gz ZMJGZACYGPAVKU-RPWUZVMVSA-N 2 2 413.606 3.885 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850479 1007863338 /nfs/dbraw/zinc/86/33/38/1007863338.db2.gz BCTBHZNDZIRERS-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850479 1007863347 /nfs/dbraw/zinc/86/33/47/1007863347.db2.gz BCTBHZNDZIRERS-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850544 1007863911 /nfs/dbraw/zinc/86/39/11/1007863911.db2.gz FLFGLFXOVVIBJG-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850544 1007863922 /nfs/dbraw/zinc/86/39/22/1007863922.db2.gz FLFGLFXOVVIBJG-UXHICEINSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851459 1007864853 /nfs/dbraw/zinc/86/48/53/1007864853.db2.gz ARTYZQIXWVVPCJ-ZWKOTPCHSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851459 1007864870 /nfs/dbraw/zinc/86/48/70/1007864870.db2.gz ARTYZQIXWVVPCJ-ZWKOTPCHSA-N 2 2 416.591 3.812 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857983 1007873699 /nfs/dbraw/zinc/87/36/99/1007873699.db2.gz ZRGKNQRXPBYZAP-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857983 1007873708 /nfs/dbraw/zinc/87/37/08/1007873708.db2.gz ZRGKNQRXPBYZAP-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865249 1007879990 /nfs/dbraw/zinc/87/99/90/1007879990.db2.gz GLPBHLPRTBSTPW-ZLNRFVROSA-N 2 2 424.674 3.806 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865249 1007879999 /nfs/dbraw/zinc/87/99/99/1007879999.db2.gz GLPBHLPRTBSTPW-ZLNRFVROSA-N 2 2 424.674 3.806 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865679 1007881417 /nfs/dbraw/zinc/88/14/17/1007881417.db2.gz KRPXQDHFOBJFRI-LGKPFJOYSA-N 2 2 422.658 3.560 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865679 1007881426 /nfs/dbraw/zinc/88/14/26/1007881426.db2.gz KRPXQDHFOBJFRI-LGKPFJOYSA-N 2 2 422.658 3.560 20 0 HHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535867898 1007885116 /nfs/dbraw/zinc/88/51/16/1007885116.db2.gz RZKZAOPNGFPVDF-FGZHOGPDSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535867898 1007885133 /nfs/dbraw/zinc/88/51/33/1007885133.db2.gz RZKZAOPNGFPVDF-FGZHOGPDSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876491 1007893998 /nfs/dbraw/zinc/89/39/98/1007893998.db2.gz MCJIQDAPEITPBU-OFAXGOBFSA-N 2 2 418.626 3.888 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876491 1007894007 /nfs/dbraw/zinc/89/40/07/1007894007.db2.gz MCJIQDAPEITPBU-OFAXGOBFSA-N 2 2 418.626 3.888 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000517702865 1007916431 /nfs/dbraw/zinc/91/64/31/1007916431.db2.gz LXKFDUOAXWGOQP-IBGZPJMESA-N 2 2 422.564 3.741 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000517702865 1007916438 /nfs/dbraw/zinc/91/64/38/1007916438.db2.gz LXKFDUOAXWGOQP-IBGZPJMESA-N 2 2 422.564 3.741 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647132 1007955862 /nfs/dbraw/zinc/95/58/62/1007955862.db2.gz BNRUJEVJUKCTQS-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647132 1007955877 /nfs/dbraw/zinc/95/58/77/1007955877.db2.gz BNRUJEVJUKCTQS-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649941 1007961341 /nfs/dbraw/zinc/96/13/41/1007961341.db2.gz YUJDAEOOUOETHF-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649941 1007961348 /nfs/dbraw/zinc/96/13/48/1007961348.db2.gz YUJDAEOOUOETHF-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650262 1007962169 /nfs/dbraw/zinc/96/21/69/1007962169.db2.gz VFJZHGLNPVIUCJ-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650262 1007962179 /nfs/dbraw/zinc/96/21/79/1007962179.db2.gz VFJZHGLNPVIUCJ-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650255 1007963010 /nfs/dbraw/zinc/96/30/10/1007963010.db2.gz VFJZHGLNPVIUCJ-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650255 1007963018 /nfs/dbraw/zinc/96/30/18/1007963018.db2.gz VFJZHGLNPVIUCJ-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672908 1007992055 /nfs/dbraw/zinc/99/20/55/1007992055.db2.gz YXCDBNRCKIOAGF-VXKWHMMOSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672908 1007992068 /nfs/dbraw/zinc/99/20/68/1007992068.db2.gz YXCDBNRCKIOAGF-VXKWHMMOSA-N 2 2 421.029 3.861 20 0 HHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535956909 1007992630 /nfs/dbraw/zinc/99/26/30/1007992630.db2.gz BFNMMUXJZAGOML-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517902975 1008046979 /nfs/dbraw/zinc/04/69/79/1008046979.db2.gz ZHZIPNFISHCBBP-FQEVSTJZSA-N 2 2 410.562 3.723 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000517902975 1008046982 /nfs/dbraw/zinc/04/69/82/1008046982.db2.gz ZHZIPNFISHCBBP-FQEVSTJZSA-N 2 2 410.562 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059713 1008089577 /nfs/dbraw/zinc/08/95/77/1008089577.db2.gz RPKOJSSFVCXWRJ-IEGUWTFLSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059713 1008089582 /nfs/dbraw/zinc/08/95/82/1008089582.db2.gz RPKOJSSFVCXWRJ-IEGUWTFLSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059713 1008089588 /nfs/dbraw/zinc/08/95/88/1008089588.db2.gz RPKOJSSFVCXWRJ-IEGUWTFLSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059713 1008089590 /nfs/dbraw/zinc/08/95/90/1008089590.db2.gz RPKOJSSFVCXWRJ-IEGUWTFLSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059714 1008089639 /nfs/dbraw/zinc/08/96/39/1008089639.db2.gz RPKOJSSFVCXWRJ-IXFSTUDKSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059714 1008089642 /nfs/dbraw/zinc/08/96/42/1008089642.db2.gz RPKOJSSFVCXWRJ-IXFSTUDKSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059714 1008089648 /nfs/dbraw/zinc/08/96/48/1008089648.db2.gz RPKOJSSFVCXWRJ-IXFSTUDKSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)O1 ZINC000536059714 1008089651 /nfs/dbraw/zinc/08/96/51/1008089651.db2.gz RPKOJSSFVCXWRJ-IXFSTUDKSA-N 2 2 408.546 3.604 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)s1 ZINC000533785550 1008108587 /nfs/dbraw/zinc/10/85/87/1008108587.db2.gz TZXLGFWBMDVJHU-ZDUSSCGKSA-N 2 2 410.381 3.713 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539912140 1008180943 /nfs/dbraw/zinc/18/09/43/1008180943.db2.gz LTZIOULHPXUIOI-RTWAWAEBSA-N 2 2 406.640 3.659 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539912140 1008180945 /nfs/dbraw/zinc/18/09/45/1008180945.db2.gz LTZIOULHPXUIOI-RTWAWAEBSA-N 2 2 406.640 3.659 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000540151895 1008313123 /nfs/dbraw/zinc/31/31/23/1008313123.db2.gz CQVZIWMZRPGCBY-XMSQKQJNSA-N 2 2 412.559 3.500 20 0 HHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518548680 1008344542 /nfs/dbraw/zinc/34/45/42/1008344542.db2.gz HNRSQHPZQSUSPO-BKFWDETESA-N 3 2 408.590 3.697 20 0 HHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000518548680 1008344547 /nfs/dbraw/zinc/34/45/47/1008344547.db2.gz HNRSQHPZQSUSPO-BKFWDETESA-N 3 2 408.590 3.697 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000540245701 1008351126 /nfs/dbraw/zinc/35/11/26/1008351126.db2.gz UWSCYWNUNYVFKZ-GJZGRUSLSA-N 2 2 417.413 3.601 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2CCc3ccccc32)cc1 ZINC000540319701 1008378201 /nfs/dbraw/zinc/37/82/01/1008378201.db2.gz RRROKUQICKTSPG-UHFFFAOYSA-N 2 2 418.541 3.763 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2CCc3ccccc32)cc1 ZINC000540319701 1008378203 /nfs/dbraw/zinc/37/82/03/1008378203.db2.gz RRROKUQICKTSPG-UHFFFAOYSA-N 2 2 418.541 3.763 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(OC(F)F)c1 ZINC000540322887 1008379981 /nfs/dbraw/zinc/37/99/81/1008379981.db2.gz ROCUBFUYAVMLEO-ZDUSSCGKSA-N 2 2 410.490 3.630 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000540335681 1008386160 /nfs/dbraw/zinc/38/61/60/1008386160.db2.gz IHBCMRCWRZDPQE-UHFFFAOYSA-N 2 2 412.365 3.501 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000540335681 1008386162 /nfs/dbraw/zinc/38/61/62/1008386162.db2.gz IHBCMRCWRZDPQE-UHFFFAOYSA-N 2 2 412.365 3.501 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000540409187 1008421009 /nfs/dbraw/zinc/42/10/09/1008421009.db2.gz ADGHALNNYADYEJ-FGZHOGPDSA-N 2 2 415.965 3.570 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000518892299 1008461509 /nfs/dbraw/zinc/46/15/09/1008461509.db2.gz ASOOXUNLJLDZAC-HXUWFJFHSA-N 2 2 411.481 3.526 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540525770 1008467504 /nfs/dbraw/zinc/46/75/04/1008467504.db2.gz KMPFYETZKVHHLW-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540525770 1008467506 /nfs/dbraw/zinc/46/75/06/1008467506.db2.gz KMPFYETZKVHHLW-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540544959 1008475355 /nfs/dbraw/zinc/47/53/55/1008475355.db2.gz WWFUSQDLBGRJEF-RTBURBONSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540544959 1008475358 /nfs/dbraw/zinc/47/53/58/1008475358.db2.gz WWFUSQDLBGRJEF-RTBURBONSA-N 2 2 405.612 3.821 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)c1ccccc1O2 ZINC000518964870 1008489370 /nfs/dbraw/zinc/48/93/70/1008489370.db2.gz KDJXGIVPWNADKY-JOCHJYFZSA-N 2 2 416.525 3.649 20 0 HHADLP COc1ccccc1-n1nccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519041337 1008508745 /nfs/dbraw/zinc/50/87/45/1008508745.db2.gz MMAUNFNHFGNHDU-FGZHOGPDSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519041337 1008508746 /nfs/dbraw/zinc/50/87/46/1008508746.db2.gz MMAUNFNHFGNHDU-FGZHOGPDSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519041337 1008508747 /nfs/dbraw/zinc/50/87/47/1008508747.db2.gz MMAUNFNHFGNHDU-FGZHOGPDSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519041337 1008508748 /nfs/dbraw/zinc/50/87/48/1008508748.db2.gz MMAUNFNHFGNHDU-FGZHOGPDSA-N 2 2 402.542 3.835 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000543038443 1008620228 /nfs/dbraw/zinc/62/02/28/1008620228.db2.gz DNCJYUOMYLZDHR-QHCPKHFHSA-N 2 2 411.594 3.950 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543043920 1008625906 /nfs/dbraw/zinc/62/59/06/1008625906.db2.gz AKLRQYVSVPMKCC-WOJBJXKFSA-N 2 2 403.615 3.841 20 0 HHADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3Br)CC2)CC1 ZINC000519230214 1008637096 /nfs/dbraw/zinc/63/70/96/1008637096.db2.gz DCEKKJXQPUWVHJ-UHFFFAOYSA-N 2 2 400.792 3.562 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543096232 1008671703 /nfs/dbraw/zinc/67/17/03/1008671703.db2.gz VVTDHKVZRROBDX-UHFFFAOYSA-N 2 2 412.603 3.765 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)CC1 ZINC000545588684 1008688409 /nfs/dbraw/zinc/68/84/09/1008688409.db2.gz LRAOXKWAOYGRGI-UHFFFAOYSA-N 2 2 419.529 3.656 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000549166619 1008738896 /nfs/dbraw/zinc/73/88/96/1008738896.db2.gz RLAIIWVTXYNHHN-JOCHJYFZSA-N 2 2 415.528 3.514 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000549166619 1008738905 /nfs/dbraw/zinc/73/89/05/1008738905.db2.gz RLAIIWVTXYNHHN-JOCHJYFZSA-N 2 2 415.528 3.514 20 0 HHADLP Clc1ccccc1N1CCN(CCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543247018 1008815476 /nfs/dbraw/zinc/81/54/76/1008815476.db2.gz IXXRBRWGJSGAQH-UHFFFAOYSA-N 2 2 415.994 3.889 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)c1 ZINC000543262021 1008832752 /nfs/dbraw/zinc/83/27/52/1008832752.db2.gz IDJVJRXPBSZMMY-REWPJTCUSA-N 2 2 424.589 3.921 20 0 HHADLP Fc1ccc([C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c2cnccn2)cc1 ZINC000543406789 1009000809 /nfs/dbraw/zinc/00/08/09/1009000809.db2.gz RTRWELXGZTTXGR-VWLOTQADSA-N 2 2 419.548 3.503 20 0 HHADLP Cc1cc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccnc2)ccc1F ZINC000543409600 1009003531 /nfs/dbraw/zinc/00/35/31/1009003531.db2.gz WENDGDMTJPNFTA-DEOSSOPVSA-N 2 2 405.521 3.555 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000543518254 1009108903 /nfs/dbraw/zinc/10/89/03/1009108903.db2.gz IGOUSXBEFOJHSY-SJLPKXTDSA-N 2 2 400.592 3.630 20 0 HHADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000549647970 1009275836 /nfs/dbraw/zinc/27/58/36/1009275836.db2.gz YZPXDDOJSLPKDM-UHFFFAOYSA-N 2 2 410.389 3.555 20 0 HHADLP C[NH+]1CCN(CCCC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707557 1009313970 /nfs/dbraw/zinc/31/39/70/1009313970.db2.gz BUZIUHDRWVZNFD-FQEVSTJZSA-N 2 2 406.368 3.749 20 0 HHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520168706 1009315641 /nfs/dbraw/zinc/31/56/41/1009315641.db2.gz QKDDXKNPMYQYII-KRWDZBQOSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520168706 1009315652 /nfs/dbraw/zinc/31/56/52/1009315652.db2.gz QKDDXKNPMYQYII-KRWDZBQOSA-N 2 2 420.479 3.832 20 0 HHADLP COc1cc2c(c(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c1)O[C@@H](C)C2 ZINC000520210993 1009344901 /nfs/dbraw/zinc/34/49/01/1009344901.db2.gz LSLPIWGRCVLZPU-NRFANRHFSA-N 2 2 423.601 3.706 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000543810207 1009371751 /nfs/dbraw/zinc/37/17/51/1009371751.db2.gz GPVBZGKIMQGIQS-YJYMSZOUSA-N 2 2 413.319 3.820 20 0 HHADLP CC[N@H+](CCC(=O)N1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543843631 1009407197 /nfs/dbraw/zinc/40/71/97/1009407197.db2.gz ZJARJMDEFGVLJZ-UHFFFAOYSA-N 2 2 401.599 3.602 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543843631 1009407209 /nfs/dbraw/zinc/40/72/09/1009407209.db2.gz ZJARJMDEFGVLJZ-UHFFFAOYSA-N 2 2 401.599 3.602 20 0 HHADLP CCc1oc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C(=O)OC ZINC000549799743 1009407215 /nfs/dbraw/zinc/40/72/15/1009407215.db2.gz DOXLOMYHWWHTBD-IRXDYDNUSA-N 2 2 400.519 3.528 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000520329845 1009463369 /nfs/dbraw/zinc/46/33/69/1009463369.db2.gz UWNBXXNPOHBLBY-RXVVDRJESA-N 2 2 412.534 3.631 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000520329844 1009463802 /nfs/dbraw/zinc/46/38/02/1009463802.db2.gz UWNBXXNPOHBLBY-NQIIRXRSSA-N 2 2 412.534 3.631 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](c3ccccc3)[N@@H+](C)CC)CC2)cs1 ZINC000520348988 1009485980 /nfs/dbraw/zinc/48/59/80/1009485980.db2.gz LRBBFRAIZBGTJT-QFIPXVFZSA-N 2 2 414.619 3.727 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](c3ccccc3)[N@H+](C)CC)CC2)cs1 ZINC000520348988 1009485994 /nfs/dbraw/zinc/48/59/94/1009485994.db2.gz LRBBFRAIZBGTJT-QFIPXVFZSA-N 2 2 414.619 3.727 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000543989356 1009588054 /nfs/dbraw/zinc/58/80/54/1009588054.db2.gz FIIGQOBQDDJEJC-JOCHJYFZSA-N 2 2 423.586 3.738 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035235 1009636369 /nfs/dbraw/zinc/63/63/69/1009636369.db2.gz CDSBZAYKFOCNLH-SJORKVTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035235 1009636374 /nfs/dbraw/zinc/63/63/74/1009636374.db2.gz CDSBZAYKFOCNLH-SJORKVTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546688281 1009681605 /nfs/dbraw/zinc/68/16/05/1009681605.db2.gz GTWZOCPJBNSVCK-GPJHCHHRSA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546688281 1009681613 /nfs/dbraw/zinc/68/16/13/1009681613.db2.gz GTWZOCPJBNSVCK-GPJHCHHRSA-N 2 2 401.570 3.725 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000520611818 1009687249 /nfs/dbraw/zinc/68/72/49/1009687249.db2.gz ZKXHKYJYBZIXCG-NRFANRHFSA-N 2 2 407.002 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000520611818 1009687258 /nfs/dbraw/zinc/68/72/58/1009687258.db2.gz ZKXHKYJYBZIXCG-NRFANRHFSA-N 2 2 407.002 3.849 20 0 HHADLP CC[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000546758665 1009725507 /nfs/dbraw/zinc/72/55/07/1009725507.db2.gz SGFPTUXONHDULS-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000546758665 1009725522 /nfs/dbraw/zinc/72/55/22/1009725522.db2.gz SGFPTUXONHDULS-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000546835419 1009792859 /nfs/dbraw/zinc/79/28/59/1009792859.db2.gz YDPLWBCKJBTAEM-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000544208644 1009815709 /nfs/dbraw/zinc/81/57/09/1009815709.db2.gz AXLSCGDEZRBJFD-HSZRJFAPSA-N 2 2 420.601 3.880 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000520827994 1009888927 /nfs/dbraw/zinc/88/89/27/1009888927.db2.gz XHFQICDEVCQWEB-AQNXPRMDSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000520827994 1009888943 /nfs/dbraw/zinc/88/89/43/1009888943.db2.gz XHFQICDEVCQWEB-AQNXPRMDSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000520827995 1009889516 /nfs/dbraw/zinc/88/95/16/1009889516.db2.gz XHFQICDEVCQWEB-VAMGGRTRSA-N 2 2 402.583 3.538 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000544350959 1009976651 /nfs/dbraw/zinc/97/66/51/1009976651.db2.gz GPFDPICOWHINIL-UHFFFAOYSA-N 2 2 409.921 3.577 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000544350959 1009976658 /nfs/dbraw/zinc/97/66/58/1009976658.db2.gz GPFDPICOWHINIL-UHFFFAOYSA-N 2 2 409.921 3.577 20 0 HHADLP Cc1cccn2cc(Cc3noc(-c4ccc(C[NH+]5CCSCC5)cc4)n3)[nH+]c12 ZINC000547091692 1010042034 /nfs/dbraw/zinc/04/20/34/1010042034.db2.gz LTGJEGLVHBVSFF-UHFFFAOYSA-N 2 2 405.527 3.832 20 0 HHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000550690740 1010104691 /nfs/dbraw/zinc/10/46/91/1010104691.db2.gz REHMAZWUWLWFCO-UHFFFAOYSA-N 2 2 403.486 3.662 20 0 HHADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000521193931 1010222415 /nfs/dbraw/zinc/22/24/15/1010222415.db2.gz YMIPEMIINQEWBC-XMMPIXPASA-N 2 2 407.558 3.857 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000521193931 1010222424 /nfs/dbraw/zinc/22/24/24/1010222424.db2.gz YMIPEMIINQEWBC-XMMPIXPASA-N 2 2 407.558 3.857 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326749 1010254034 /nfs/dbraw/zinc/25/40/34/1010254034.db2.gz NMBOOZAVVSCBKN-OYRHEFFESA-N 3 2 415.622 3.672 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326749 1010254046 /nfs/dbraw/zinc/25/40/46/1010254046.db2.gz NMBOOZAVVSCBKN-OYRHEFFESA-N 3 2 415.622 3.672 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000547506158 1010332319 /nfs/dbraw/zinc/33/23/19/1010332319.db2.gz XAYLYJFERVVERP-INIZCTEOSA-N 2 2 406.546 3.689 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000547506158 1010332326 /nfs/dbraw/zinc/33/23/26/1010332326.db2.gz XAYLYJFERVVERP-INIZCTEOSA-N 2 2 406.546 3.689 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+]2CCC1CC2 ZINC000551216262 1010444231 /nfs/dbraw/zinc/44/42/31/1010444231.db2.gz WQVPLYOLJRAYBQ-UHFFFAOYSA-N 2 2 415.541 3.588 20 0 HHADLP COCC[N@@H+]1CC[C@@H](Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC000521673444 1010540436 /nfs/dbraw/zinc/54/04/36/1010540436.db2.gz VVYXDMWKUMQRMQ-QGZVFWFLSA-N 2 2 411.575 3.553 20 0 HHADLP COCC[N@H+]1CC[C@@H](Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC000521673444 1010540444 /nfs/dbraw/zinc/54/04/44/1010540444.db2.gz VVYXDMWKUMQRMQ-QGZVFWFLSA-N 2 2 411.575 3.553 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000548169452 1010550759 /nfs/dbraw/zinc/55/07/59/1010550759.db2.gz AEZGJUYKXZDDOE-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000548169452 1010550773 /nfs/dbraw/zinc/55/07/73/1010550773.db2.gz AEZGJUYKXZDDOE-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CN(C(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000551446176 1010589916 /nfs/dbraw/zinc/58/99/16/1010589916.db2.gz DEPBUFBVFJRTHW-QHCPKHFHSA-N 2 2 403.530 3.651 20 0 HHADLP CN(C(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000551446176 1010589926 /nfs/dbraw/zinc/58/99/26/1010589926.db2.gz DEPBUFBVFJRTHW-QHCPKHFHSA-N 2 2 403.530 3.651 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000548410103 1010618011 /nfs/dbraw/zinc/61/80/11/1010618011.db2.gz GFFMIMOQJZAFLP-UHFFFAOYSA-N 2 2 406.574 3.672 20 0 HHADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000551539736 1010646834 /nfs/dbraw/zinc/64/68/34/1010646834.db2.gz LOYDURNTLCVSII-ZTFGCOKTSA-N 2 2 408.468 3.958 20 0 HHADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000551539736 1010646843 /nfs/dbraw/zinc/64/68/43/1010646843.db2.gz LOYDURNTLCVSII-ZTFGCOKTSA-N 2 2 408.468 3.958 20 0 HHADLP COc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159707 1010657417 /nfs/dbraw/zinc/65/74/17/1010657417.db2.gz YTKAVUCXMYNOPI-LEWJYISDSA-N 2 2 409.357 3.942 20 0 HHADLP COc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159707 1010657421 /nfs/dbraw/zinc/65/74/21/1010657421.db2.gz YTKAVUCXMYNOPI-LEWJYISDSA-N 2 2 409.357 3.942 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919631 1010710768 /nfs/dbraw/zinc/71/07/68/1010710768.db2.gz TVAOQTKNYNKSCF-HYBUGGRVSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919631 1010710780 /nfs/dbraw/zinc/71/07/80/1010710780.db2.gz TVAOQTKNYNKSCF-HYBUGGRVSA-N 2 2 421.585 3.785 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551644563 1010717421 /nfs/dbraw/zinc/71/74/21/1010717421.db2.gz PYNPAVCPWIVALL-QRWLVFNGSA-N 2 2 419.932 3.504 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551644563 1010717427 /nfs/dbraw/zinc/71/74/27/1010717427.db2.gz PYNPAVCPWIVALL-QRWLVFNGSA-N 2 2 419.932 3.504 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336495 1010734841 /nfs/dbraw/zinc/73/48/41/1010734841.db2.gz RWGIRTRJOJFHTF-NSISKUIASA-N 2 2 421.655 3.534 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336495 1010734846 /nfs/dbraw/zinc/73/48/46/1010734846.db2.gz RWGIRTRJOJFHTF-NSISKUIASA-N 2 2 421.655 3.534 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C[NH+](C)C)cc3)c2C1 ZINC000545360707 1010751236 /nfs/dbraw/zinc/75/12/36/1010751236.db2.gz UAGUTSHAKVMJKI-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C[NH+](C)C)cc3)c2C1 ZINC000545360707 1010751245 /nfs/dbraw/zinc/75/12/45/1010751245.db2.gz UAGUTSHAKVMJKI-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000548930738 1010766148 /nfs/dbraw/zinc/76/61/48/1010766148.db2.gz HSEJDOXDSCNGKZ-OAQYLSRUSA-N 2 2 409.578 3.827 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000548930738 1010766153 /nfs/dbraw/zinc/76/61/53/1010766153.db2.gz HSEJDOXDSCNGKZ-OAQYLSRUSA-N 2 2 409.578 3.827 20 0 HHADLP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000522401905 1010983729 /nfs/dbraw/zinc/98/37/29/1010983729.db2.gz QPOJJOJKSSBJDN-IBGZPJMESA-N 2 2 400.611 3.601 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430959 1011005530 /nfs/dbraw/zinc/00/55/30/1011005530.db2.gz MUQBPJBHDCPNOT-YLJYHZDGSA-N 2 2 407.493 3.646 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430959 1011005536 /nfs/dbraw/zinc/00/55/36/1011005536.db2.gz MUQBPJBHDCPNOT-YLJYHZDGSA-N 2 2 407.493 3.646 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)CC1 ZINC000522665871 1011147968 /nfs/dbraw/zinc/14/79/68/1011147968.db2.gz AUYVMJKPJDCSBN-UHFFFAOYSA-N 2 2 408.590 3.725 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000522783770 1011217176 /nfs/dbraw/zinc/21/71/76/1011217176.db2.gz AEJRUZXZYCYRDN-NRFANRHFSA-N 2 2 422.573 3.738 20 0 HHADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540608320 1011261332 /nfs/dbraw/zinc/26/13/32/1011261332.db2.gz QPVUIUGWSJJDEI-IRLDBZIGSA-N 2 2 423.605 3.628 20 0 HHADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000536179619 1011313152 /nfs/dbraw/zinc/31/31/52/1011313152.db2.gz OEOOAUKAROZVBV-GOSISDBHSA-N 2 2 402.608 3.503 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719392 1011371175 /nfs/dbraw/zinc/37/11/75/1011371175.db2.gz KLGMCCMYEOJKCO-OALUTQOASA-N 2 2 407.921 3.507 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540719392 1011371184 /nfs/dbraw/zinc/37/11/84/1011371184.db2.gz KLGMCCMYEOJKCO-OALUTQOASA-N 2 2 407.921 3.507 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)c(F)c2)c1 ZINC000540908318 1011578502 /nfs/dbraw/zinc/57/85/02/1011578502.db2.gz IXISIGPZFDBOID-OAQYLSRUSA-N 2 2 419.497 3.724 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+]2CCCC2)cc1 ZINC000523205201 1011695865 /nfs/dbraw/zinc/69/58/65/1011695865.db2.gz QENNUDKFASQWBX-HSZRJFAPSA-N 2 2 421.520 3.956 20 0 HHADLP C[C@H](Oc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1)c1ccccc1 ZINC000523305515 1011783478 /nfs/dbraw/zinc/78/34/78/1011783478.db2.gz NGLNNRFMIHRLSF-IBGZPJMESA-N 2 2 422.573 3.510 20 0 HHADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203426 1011872857 /nfs/dbraw/zinc/87/28/57/1011872857.db2.gz XDRFBWUDDSXDQQ-LJQANCHMSA-N 2 2 422.367 3.578 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000541212215 1011882541 /nfs/dbraw/zinc/88/25/41/1011882541.db2.gz WFSOAJWYYMVIKQ-QGZVFWFLSA-N 2 2 417.513 3.728 20 0 HHADLP O=C(C[NH+]1CCC(Cc2cccnc2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536719409 1011893162 /nfs/dbraw/zinc/89/31/62/1011893162.db2.gz RWIFSNOQTOSGQW-UHFFFAOYSA-N 2 2 424.614 3.524 20 0 HHADLP Cn1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000536758535 1011953224 /nfs/dbraw/zinc/95/32/24/1011953224.db2.gz URGHZKXFVORWQN-UHFFFAOYSA-N 2 2 417.601 3.775 20 0 HHADLP C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536856564 1012089460 /nfs/dbraw/zinc/08/94/60/1012089460.db2.gz HXDKNUNASOPGEM-IBGZPJMESA-N 2 2 424.570 3.517 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536860973 1012095216 /nfs/dbraw/zinc/09/52/16/1012095216.db2.gz BJIJKCTZLZNFHG-GOSISDBHSA-N 2 2 423.948 3.525 20 0 HHADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)c1 ZINC000536872021 1012111982 /nfs/dbraw/zinc/11/19/82/1012111982.db2.gz WRASTAMQQPHRSU-PMACEKPBSA-N 2 2 415.969 3.676 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880452 1012126620 /nfs/dbraw/zinc/12/66/20/1012126620.db2.gz CANJXRIGISOVLV-LAUBAEHRSA-N 2 2 400.954 3.954 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880452 1012126628 /nfs/dbraw/zinc/12/66/28/1012126628.db2.gz CANJXRIGISOVLV-LAUBAEHRSA-N 2 2 400.954 3.954 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114715 1012133095 /nfs/dbraw/zinc/13/30/95/1012133095.db2.gz XLOTYTMDJQDHGK-PEVDHWGLSA-N 2 2 415.569 3.580 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114715 1012133124 /nfs/dbraw/zinc/13/31/24/1012133124.db2.gz XLOTYTMDJQDHGK-PEVDHWGLSA-N 2 2 415.569 3.580 20 0 HHADLP COc1cccc2c(N3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc(C)[nH+]c12 ZINC000536897625 1012153298 /nfs/dbraw/zinc/15/32/98/1012153298.db2.gz SLNYBCWBXSJEDV-RTBURBONSA-N 2 2 413.562 3.646 20 0 HHADLP CSc1c(F)cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000541464612 1012227018 /nfs/dbraw/zinc/22/70/18/1012227018.db2.gz FWTFPEXCDPBSLD-UHFFFAOYSA-N 2 2 412.550 3.759 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541475257 1012243899 /nfs/dbraw/zinc/24/38/99/1012243899.db2.gz UYADOFXFPMRJSE-UXHICEINSA-N 2 2 409.578 3.943 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666874 1012263314 /nfs/dbraw/zinc/26/33/14/1012263314.db2.gz DUUNEDYVVAZFSZ-MZKRTTBSSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666874 1012263329 /nfs/dbraw/zinc/26/33/29/1012263329.db2.gz DUUNEDYVVAZFSZ-MZKRTTBSSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666874 1012263341 /nfs/dbraw/zinc/26/33/41/1012263341.db2.gz DUUNEDYVVAZFSZ-MZKRTTBSSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H](C)O1 ZINC000523666874 1012263353 /nfs/dbraw/zinc/26/33/53/1012263353.db2.gz DUUNEDYVVAZFSZ-MZKRTTBSSA-N 2 2 422.573 3.542 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552338768 1012351654 /nfs/dbraw/zinc/35/16/54/1012351654.db2.gz PBKHBRQNBIXERU-AQDPXUSMSA-N 2 2 405.970 3.535 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552338768 1012351669 /nfs/dbraw/zinc/35/16/69/1012351669.db2.gz PBKHBRQNBIXERU-AQDPXUSMSA-N 2 2 405.970 3.535 20 0 HHADLP CC(C)(C)C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000537077938 1012423555 /nfs/dbraw/zinc/42/35/55/1012423555.db2.gz MRXKOOUUHFAJBE-DEOSSOPVSA-N 2 2 423.601 3.902 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CCCO)c3ccccc3)CC2)cc1 ZINC000537094378 1012455316 /nfs/dbraw/zinc/45/53/16/1012455316.db2.gz BKDYVJPOPITODC-VWLOTQADSA-N 2 2 423.601 3.558 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000552649364 1012647797 /nfs/dbraw/zinc/64/77/97/1012647797.db2.gz VWNJLSLNAXHKLF-UHFFFAOYSA-N 2 2 409.965 3.626 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000552649364 1012647806 /nfs/dbraw/zinc/64/78/06/1012647806.db2.gz VWNJLSLNAXHKLF-UHFFFAOYSA-N 3 2 409.965 3.626 20 0 HHADLP CCC[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000537228398 1012659291 /nfs/dbraw/zinc/65/92/91/1012659291.db2.gz DOCFTLODTRGZEL-HSZRJFAPSA-N 2 2 421.589 3.747 20 0 HHADLP CCC[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537228398 1012659319 /nfs/dbraw/zinc/65/93/19/1012659319.db2.gz DOCFTLODTRGZEL-HSZRJFAPSA-N 2 2 421.589 3.747 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537235636 1012673193 /nfs/dbraw/zinc/67/31/93/1012673193.db2.gz IMXFUFNKOPJLBM-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537235636 1012673209 /nfs/dbraw/zinc/67/32/09/1012673209.db2.gz IMXFUFNKOPJLBM-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235714 1012673387 /nfs/dbraw/zinc/67/33/87/1012673387.db2.gz AQWVMFTXMFTKOQ-MSOLQXFVSA-N 2 2 422.643 3.682 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235714 1012673395 /nfs/dbraw/zinc/67/33/95/1012673395.db2.gz AQWVMFTXMFTKOQ-MSOLQXFVSA-N 2 2 422.643 3.682 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814400 1012700921 /nfs/dbraw/zinc/70/09/21/1012700921.db2.gz HMRHCKSYWQNCLS-JXFKEZNVSA-N 2 2 424.992 3.815 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814400 1012700938 /nfs/dbraw/zinc/70/09/38/1012700938.db2.gz HMRHCKSYWQNCLS-JXFKEZNVSA-N 2 2 424.992 3.815 20 0 HHADLP CN(CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000541857778 1012738851 /nfs/dbraw/zinc/73/88/51/1012738851.db2.gz ADLYQNGLAIZWDY-IBGZPJMESA-N 2 2 404.917 3.654 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294682 1012752733 /nfs/dbraw/zinc/75/27/33/1012752733.db2.gz FNQVRCFRWRYWCD-KKSFZXQISA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000537294682 1012752752 /nfs/dbraw/zinc/75/27/52/1012752752.db2.gz FNQVRCFRWRYWCD-KKSFZXQISA-N 2 2 419.363 3.745 20 0 HHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 ZINC000542018356 1012909442 /nfs/dbraw/zinc/90/94/42/1012909442.db2.gz MGOBNTBKBRQUHG-UHFFFAOYSA-N 2 2 416.566 3.687 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@@H](C)O1 ZINC000553025566 1013001340 /nfs/dbraw/zinc/00/13/40/1013001340.db2.gz DXAUWZIBYNZFRT-HUUCEWRRSA-N 2 2 417.413 3.601 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542110252 1013042973 /nfs/dbraw/zinc/04/29/73/1013042973.db2.gz RFHSIXUVVZGEPN-NRFANRHFSA-N 2 2 413.566 3.905 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)C[C@@H](C)O1 ZINC000488241397 1072157057 /nfs/dbraw/zinc/15/70/57/1072157057.db2.gz DVRRIURIHORECJ-QZTJIDSGSA-N 2 2 416.541 3.511 20 0 HHADLP Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)cs1 ZINC001168321244 1072502870 /nfs/dbraw/zinc/50/28/70/1072502870.db2.gz FEZIGOHYMQSTNH-VNCLNFNDSA-N 2 2 403.596 3.614 20 0 HHADLP Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]3C)cs1 ZINC001168321244 1072502881 /nfs/dbraw/zinc/50/28/81/1072502881.db2.gz FEZIGOHYMQSTNH-VNCLNFNDSA-N 2 2 403.596 3.614 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000537673174 1072543555 /nfs/dbraw/zinc/54/35/55/1072543555.db2.gz DLBWABSCLDOSNI-LJQANCHMSA-N 2 2 412.622 3.699 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479420339 1072818799 /nfs/dbraw/zinc/81/87/99/1072818799.db2.gz JDNDRWSXHNCADD-HXUWFJFHSA-N 2 2 413.610 3.737 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000479420339 1072818807 /nfs/dbraw/zinc/81/88/07/1072818807.db2.gz JDNDRWSXHNCADD-HXUWFJFHSA-N 2 2 413.610 3.737 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852182 1072901784 /nfs/dbraw/zinc/90/17/84/1072901784.db2.gz UDJUPOBWKLXZFC-QUCCMNQESA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852182 1072901787 /nfs/dbraw/zinc/90/17/87/1072901787.db2.gz UDJUPOBWKLXZFC-QUCCMNQESA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852182 1072901792 /nfs/dbraw/zinc/90/17/92/1072901792.db2.gz UDJUPOBWKLXZFC-QUCCMNQESA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852182 1072901796 /nfs/dbraw/zinc/90/17/96/1072901796.db2.gz UDJUPOBWKLXZFC-QUCCMNQESA-N 2 2 417.594 3.996 20 0 HHADLP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000555127788 1073194021 /nfs/dbraw/zinc/19/40/21/1073194021.db2.gz BIVCSVZESAFDRF-LJQANCHMSA-N 2 2 415.900 3.767 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000555151450 1073204950 /nfs/dbraw/zinc/20/49/50/1073204950.db2.gz YVNNRXCVVWIEGV-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000555151450 1073204956 /nfs/dbraw/zinc/20/49/56/1073204956.db2.gz YVNNRXCVVWIEGV-XMMPIXPASA-N 2 2 417.557 3.641 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555430549 1073459584 /nfs/dbraw/zinc/45/95/84/1073459584.db2.gz HEDAAWFFZSCUCU-XZOQPEGZSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555430549 1073459591 /nfs/dbraw/zinc/45/95/91/1073459591.db2.gz HEDAAWFFZSCUCU-XZOQPEGZSA-N 2 2 411.594 3.647 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590150558 1073592506 /nfs/dbraw/zinc/59/25/06/1073592506.db2.gz BHVNVTPDEJEPGM-LPHOPBHVSA-N 2 2 401.942 3.789 20 0 HHADLP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555560889 1073629836 /nfs/dbraw/zinc/62/98/36/1073629836.db2.gz SSGPDEANNHNIPQ-UNMCSNQZSA-N 2 2 422.013 3.558 20 0 HHADLP CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555560889 1073629839 /nfs/dbraw/zinc/62/98/39/1073629839.db2.gz SSGPDEANNHNIPQ-UNMCSNQZSA-N 2 2 422.013 3.558 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597816 1073664739 /nfs/dbraw/zinc/66/47/39/1073664739.db2.gz IFESSYSNAWAUKH-DFBJGRDBSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597816 1073664743 /nfs/dbraw/zinc/66/47/43/1073664743.db2.gz IFESSYSNAWAUKH-DFBJGRDBSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000555597816 1073664748 /nfs/dbraw/zinc/66/47/48/1073664748.db2.gz IFESSYSNAWAUKH-DFBJGRDBSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000555597816 1073664753 /nfs/dbraw/zinc/66/47/53/1073664753.db2.gz IFESSYSNAWAUKH-DFBJGRDBSA-N 2 2 409.574 3.613 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000591573750 1074419375 /nfs/dbraw/zinc/41/93/75/1074419375.db2.gz ROSRKWVMIVKRTD-UHFFFAOYSA-N 2 2 421.029 3.819 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000591573750 1074419383 /nfs/dbraw/zinc/41/93/83/1074419383.db2.gz ROSRKWVMIVKRTD-UHFFFAOYSA-N 2 2 421.029 3.819 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591581157 1074423815 /nfs/dbraw/zinc/42/38/15/1074423815.db2.gz MYJZIWKZWBUCCC-GOSISDBHSA-N 2 2 401.580 3.547 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591581157 1074423819 /nfs/dbraw/zinc/42/38/19/1074423819.db2.gz MYJZIWKZWBUCCC-GOSISDBHSA-N 2 2 401.580 3.547 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000591585838 1074428446 /nfs/dbraw/zinc/42/84/46/1074428446.db2.gz WUHHGTWCLMOGIW-UHFFFAOYSA-N 2 2 416.610 3.566 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000591585838 1074428453 /nfs/dbraw/zinc/42/84/53/1074428453.db2.gz WUHHGTWCLMOGIW-UHFFFAOYSA-N 2 2 416.610 3.566 20 0 HHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074526036 /nfs/dbraw/zinc/52/60/36/1074526036.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 2 406.574 3.925 20 0 HHADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Oc1cccnc1 ZINC000573489857 1074526046 /nfs/dbraw/zinc/52/60/46/1074526046.db2.gz XNEQWDYIQSCDQM-AIZNXBIQSA-N 2 2 406.574 3.925 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292601 1075189527 /nfs/dbraw/zinc/18/95/27/1075189527.db2.gz JAIFQHQSKSYPRM-AVRDEDQJSA-N 2 2 406.530 3.729 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292601 1075189529 /nfs/dbraw/zinc/18/95/29/1075189529.db2.gz JAIFQHQSKSYPRM-AVRDEDQJSA-N 2 2 406.530 3.729 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000593292519 1075189870 /nfs/dbraw/zinc/18/98/70/1075189870.db2.gz CTWRYHWPZLZBJR-WMZHIEFXSA-N 2 2 406.555 3.756 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000593292519 1075189873 /nfs/dbraw/zinc/18/98/73/1075189873.db2.gz CTWRYHWPZLZBJR-WMZHIEFXSA-N 2 2 406.555 3.756 20 0 HHADLP CN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473485 1075618202 /nfs/dbraw/zinc/61/82/02/1075618202.db2.gz FMUFJCMCUHXUOY-QHCPKHFHSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)c1ccc(OCc2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473485 1075618203 /nfs/dbraw/zinc/61/82/03/1075618203.db2.gz FMUFJCMCUHXUOY-QHCPKHFHSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)CCCSc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474749 1075619137 /nfs/dbraw/zinc/61/91/37/1075619137.db2.gz QZIUZCAHDWHZKU-LJQANCHMSA-N 2 2 410.027 3.839 20 0 HHADLP CN(C(=O)CCCSc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474749 1075619139 /nfs/dbraw/zinc/61/91/39/1075619139.db2.gz QZIUZCAHDWHZKU-LJQANCHMSA-N 2 2 410.027 3.839 20 0 HHADLP CN(C(=O)CSc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477851 1075621071 /nfs/dbraw/zinc/62/10/71/1075621071.db2.gz IHAYLUDSZLNNKC-HXUWFJFHSA-N 2 2 403.636 3.703 20 0 HHADLP CN(C(=O)CSc1ccc(C(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477851 1075621074 /nfs/dbraw/zinc/62/10/74/1075621074.db2.gz IHAYLUDSZLNNKC-HXUWFJFHSA-N 2 2 403.636 3.703 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597203240 1075633823 /nfs/dbraw/zinc/63/38/23/1075633823.db2.gz SFTPMBJXQYOGPS-QFIPXVFZSA-N 2 2 413.610 3.916 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597203240 1075633826 /nfs/dbraw/zinc/63/38/26/1075633826.db2.gz SFTPMBJXQYOGPS-QFIPXVFZSA-N 2 2 413.610 3.916 20 0 HHADLP COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc2C)cc1 ZINC000602203201 1075712359 /nfs/dbraw/zinc/71/23/59/1075712359.db2.gz MLPKYTFERMFKPR-GOSISDBHSA-N 2 2 413.587 3.630 20 0 HHADLP COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc2C)cc1 ZINC000602203201 1075712365 /nfs/dbraw/zinc/71/23/65/1075712365.db2.gz MLPKYTFERMFKPR-GOSISDBHSA-N 2 2 413.587 3.630 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000602202312 1075712424 /nfs/dbraw/zinc/71/24/24/1075712424.db2.gz XUDNKCLZFHAFIZ-ROUUACIJSA-N 2 2 403.636 3.797 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000602202312 1075712431 /nfs/dbraw/zinc/71/24/31/1075712431.db2.gz XUDNKCLZFHAFIZ-ROUUACIJSA-N 2 2 403.636 3.797 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000602201266 1075717468 /nfs/dbraw/zinc/71/74/68/1075717468.db2.gz LOYDGPFJBJWLLN-LJQANCHMSA-N 2 2 424.614 3.748 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000602201266 1075717472 /nfs/dbraw/zinc/71/74/72/1075717472.db2.gz LOYDGPFJBJWLLN-LJQANCHMSA-N 2 2 424.614 3.748 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842850 720707646 /nfs/dbraw/zinc/70/76/46/720707646.db2.gz ZHSFZPJSFGHZGZ-OAQYLSRUSA-N 2 2 408.546 3.608 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842850 720707653 /nfs/dbraw/zinc/70/76/53/720707653.db2.gz ZHSFZPJSFGHZGZ-OAQYLSRUSA-N 2 2 408.546 3.608 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750448 720813217 /nfs/dbraw/zinc/81/32/17/720813217.db2.gz VSTBHNHYIOBXLU-QNWVGRARSA-N 2 2 416.573 3.823 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750448 720813219 /nfs/dbraw/zinc/81/32/19/720813219.db2.gz VSTBHNHYIOBXLU-QNWVGRARSA-N 2 2 416.573 3.823 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750450 720813537 /nfs/dbraw/zinc/81/35/37/720813537.db2.gz VSTBHNHYIOBXLU-QZNHQXDQSA-N 2 2 416.573 3.823 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750450 720813540 /nfs/dbraw/zinc/81/35/40/720813540.db2.gz VSTBHNHYIOBXLU-QZNHQXDQSA-N 2 2 416.573 3.823 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164785123 721451477 /nfs/dbraw/zinc/45/14/77/721451477.db2.gz GQSVKELXCHTSKY-NRFANRHFSA-N 2 2 416.610 3.642 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164785123 721451480 /nfs/dbraw/zinc/45/14/80/721451480.db2.gz GQSVKELXCHTSKY-NRFANRHFSA-N 2 2 416.610 3.642 20 0 HHADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044690 721957099 /nfs/dbraw/zinc/95/70/99/721957099.db2.gz ONOGPGGJGDXUII-UHFFFAOYSA-N 2 2 400.954 3.532 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1 ZINC001164979889 722129257 /nfs/dbraw/zinc/12/92/57/722129257.db2.gz QYSKEZPLNHIKFL-YKSBVNFPSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1 ZINC001164979889 722129260 /nfs/dbraw/zinc/12/92/60/722129260.db2.gz QYSKEZPLNHIKFL-YKSBVNFPSA-N 2 2 418.541 3.674 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1F ZINC001164971740 722154717 /nfs/dbraw/zinc/15/47/17/722154717.db2.gz FCDJYOXMBBDTJW-XXBNENTESA-N 2 2 422.504 3.505 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1F ZINC001164971740 722154721 /nfs/dbraw/zinc/15/47/21/722154721.db2.gz FCDJYOXMBBDTJW-XXBNENTESA-N 2 2 422.504 3.505 20 0 HHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542115627 1013048595 /nfs/dbraw/zinc/04/85/95/1013048595.db2.gz JPUNMOJKMUPTBC-HXUWFJFHSA-N 2 2 409.578 3.532 20 0 HHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542115627 1013048612 /nfs/dbraw/zinc/04/86/12/1013048612.db2.gz JPUNMOJKMUPTBC-HXUWFJFHSA-N 2 2 409.578 3.532 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301239121 970826645 /nfs/dbraw/zinc/82/66/45/970826645.db2.gz LTIIOXGANQBPJF-VQTJNVASSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301239121 970826655 /nfs/dbraw/zinc/82/66/55/970826655.db2.gz LTIIOXGANQBPJF-VQTJNVASSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301239121 970826667 /nfs/dbraw/zinc/82/66/67/970826667.db2.gz LTIIOXGANQBPJF-VQTJNVASSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301239121 970826678 /nfs/dbraw/zinc/82/66/78/970826678.db2.gz LTIIOXGANQBPJF-VQTJNVASSA-N 2 2 409.578 3.529 20 0 HHADLP CCOC1CC(CNc2cc[nH+]c3cc(Br)ccc23)([NH+]2CCOCC2)C1 ZINC000302800583 971324395 /nfs/dbraw/zinc/32/43/95/971324395.db2.gz CCQCDWXNLUCWKC-UHFFFAOYSA-N 2 2 420.351 3.679 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000302891674 971375105 /nfs/dbraw/zinc/37/51/05/971375105.db2.gz GEYDPTUSFGWUDK-JOCHJYFZSA-N 2 2 410.562 3.642 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000303391738 971677813 /nfs/dbraw/zinc/67/78/13/971677813.db2.gz NJQHYOSGJORQCZ-DEOSSOPVSA-N 2 2 420.557 3.605 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000303391738 971677823 /nfs/dbraw/zinc/67/78/23/971677823.db2.gz NJQHYOSGJORQCZ-DEOSSOPVSA-N 2 2 420.557 3.605 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303463331 971767152 /nfs/dbraw/zinc/76/71/52/971767152.db2.gz LYLWXSWCMYMVBH-FQEVSTJZSA-N 2 2 402.542 3.832 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000303595981 971887625 /nfs/dbraw/zinc/88/76/25/971887625.db2.gz IYYUZAPOBKAGBX-URXFXBBRSA-N 2 2 421.589 3.615 20 0 HHADLP c1sc(COc2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000537622794 1013171394 /nfs/dbraw/zinc/17/13/94/1013171394.db2.gz KHIRYHFTAZTBCY-UHFFFAOYSA-N 2 2 401.576 3.799 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705046 1013270717 /nfs/dbraw/zinc/27/07/17/1013270717.db2.gz CHMOTNPYRQSHPV-DFQSSKMNSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705046 1013270721 /nfs/dbraw/zinc/27/07/21/1013270721.db2.gz CHMOTNPYRQSHPV-DFQSSKMNSA-N 2 2 420.395 3.529 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542324736 1013279248 /nfs/dbraw/zinc/27/92/48/1013279248.db2.gz FNALXMVUSFYWEO-NRFANRHFSA-N 2 2 421.589 3.669 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+](C)C ZINC000542335925 1013294064 /nfs/dbraw/zinc/29/40/64/1013294064.db2.gz KUHIBGCBQFQBJP-DENIHFKCSA-N 2 2 424.589 3.921 20 0 HHADLP CCCNC(=O)c1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000537747206 1013310438 /nfs/dbraw/zinc/31/04/38/1013310438.db2.gz CDTAWWPNTRKYQJ-UHFFFAOYSA-N 2 2 414.981 3.521 20 0 HHADLP CCC[N@@H+]1CCC[C@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000553384638 1013317536 /nfs/dbraw/zinc/31/75/36/1013317536.db2.gz FNDWURVZCJYDQM-HNNXBMFYSA-N 2 2 419.595 3.524 20 0 HHADLP CCC[N@H+]1CCC[C@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000553384638 1013317543 /nfs/dbraw/zinc/31/75/43/1013317543.db2.gz FNDWURVZCJYDQM-HNNXBMFYSA-N 2 2 419.595 3.524 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000537761068 1013324106 /nfs/dbraw/zinc/32/41/06/1013324106.db2.gz VZPFRMQHGAQACK-UUOWRZLLSA-N 2 2 418.541 3.556 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000542464433 1013412521 /nfs/dbraw/zinc/41/25/21/1013412521.db2.gz IFXUQFKVFMEOOP-FQEVSTJZSA-N 2 2 413.319 3.912 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000542464433 1013412526 /nfs/dbraw/zinc/41/25/26/1013412526.db2.gz IFXUQFKVFMEOOP-FQEVSTJZSA-N 2 2 413.319 3.912 20 0 HHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466078 1013413482 /nfs/dbraw/zinc/41/34/82/1013413482.db2.gz FTSGTHXBKNMJSR-INIZCTEOSA-N 2 2 411.449 3.824 20 0 HHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466078 1013413486 /nfs/dbraw/zinc/41/34/86/1013413486.db2.gz FTSGTHXBKNMJSR-INIZCTEOSA-N 2 2 411.449 3.824 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000025058524 964156990 /nfs/dbraw/zinc/15/69/90/964156990.db2.gz FTCROXYVUFDIFX-SZPZYZBQSA-N 2 2 421.585 3.562 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000025058524 964156996 /nfs/dbraw/zinc/15/69/96/964156996.db2.gz FTCROXYVUFDIFX-SZPZYZBQSA-N 2 2 421.585 3.562 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000025058753 964158095 /nfs/dbraw/zinc/15/80/95/964158095.db2.gz BAEUOLNBTPMKBF-VXKWHMMOSA-N 2 2 421.585 3.562 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3SC(F)(F)F)CC2)CC1 ZINC000050799039 964399599 /nfs/dbraw/zinc/39/95/99/964399599.db2.gz DVHQVETXAVRVCW-UHFFFAOYSA-N 2 2 401.498 3.587 20 0 HHADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000050803128 964401407 /nfs/dbraw/zinc/40/14/07/964401407.db2.gz PUCDVACBGOXRTA-UHFFFAOYSA-N 2 2 408.590 3.691 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3COc3ccccc3)CC2)CC1 ZINC000050800119 964401566 /nfs/dbraw/zinc/40/15/66/964401566.db2.gz SNAPLNCGIGLXLD-UHFFFAOYSA-N 2 2 407.558 3.554 20 0 HHADLP CC(C)OCc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800840 964402040 /nfs/dbraw/zinc/40/20/40/964402040.db2.gz YQPAKUYSHWLUJA-UHFFFAOYSA-N 2 2 413.562 3.646 20 0 HHADLP Cc1csc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)n1 ZINC000542549483 1013493264 /nfs/dbraw/zinc/49/32/64/1013493264.db2.gz AHCKXYQEUVIXGP-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1csc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)n1 ZINC000542549483 1013493271 /nfs/dbraw/zinc/49/32/71/1013493271.db2.gz AHCKXYQEUVIXGP-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1 ZINC000051464035 964581865 /nfs/dbraw/zinc/58/18/65/964581865.db2.gz AWZHYVKKPLJBAI-UHFFFAOYSA-N 2 2 405.542 3.599 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2)cc[nH+]1 ZINC000542568283 1013509230 /nfs/dbraw/zinc/50/92/30/1013509230.db2.gz FUXDSPGCFPMVCR-NRFANRHFSA-N 2 2 407.493 3.569 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3nc(NCCO)c4ccccc4[nH+]3)cc2)CC1 ZINC000026705683 964652598 /nfs/dbraw/zinc/65/25/98/964652598.db2.gz FEFAIGJRZRGQPL-UHFFFAOYSA-N 2 2 405.546 3.878 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051758765 964689382 /nfs/dbraw/zinc/68/93/82/964689382.db2.gz KFDUPDFRRDUNDS-HNNXBMFYSA-N 2 2 412.500 3.624 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713602 964960634 /nfs/dbraw/zinc/96/06/34/964960634.db2.gz FYASXXRMOHFMPD-GOSISDBHSA-N 2 2 403.567 3.619 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000057783337 965544993 /nfs/dbraw/zinc/54/49/93/965544993.db2.gz AMMYTGMQZPQVHI-FQEVSTJZSA-N 2 2 421.589 3.913 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000057783337 965545002 /nfs/dbraw/zinc/54/50/02/965545002.db2.gz AMMYTGMQZPQVHI-FQEVSTJZSA-N 2 2 421.589 3.913 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2COC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000538022061 1013593265 /nfs/dbraw/zinc/59/32/65/1013593265.db2.gz ZCFRUIJUUUKSLD-UHFFFAOYSA-N 2 2 401.595 3.682 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C[C@@H](C)O1 ZINC000538046895 1013619651 /nfs/dbraw/zinc/61/96/51/1013619651.db2.gz HKJMSFXECDAIDV-IAGOWNOFSA-N 2 2 421.632 3.962 20 0 HHADLP O=C(CC[NH+]1Cc2ccccc2-c2ccccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000060361252 966111594 /nfs/dbraw/zinc/11/15/94/966111594.db2.gz ACCOLFAPLVWSHY-UHFFFAOYSA-N 2 2 412.537 3.803 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000056629161 966401663 /nfs/dbraw/zinc/40/16/63/966401663.db2.gz JBIBRAIFEAHTSI-WOJBJXKFSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661885 966415476 /nfs/dbraw/zinc/41/54/76/966415476.db2.gz DKYDODHYRWVZRU-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661885 966415482 /nfs/dbraw/zinc/41/54/82/966415482.db2.gz DKYDODHYRWVZRU-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661885 966415485 /nfs/dbraw/zinc/41/54/85/966415485.db2.gz DKYDODHYRWVZRU-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661885 966415488 /nfs/dbraw/zinc/41/54/88/966415488.db2.gz DKYDODHYRWVZRU-WTGUMLROSA-N 2 2 402.583 3.538 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056872948 966499012 /nfs/dbraw/zinc/49/90/12/966499012.db2.gz WIPWNNBZSMMMKY-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056872948 966499020 /nfs/dbraw/zinc/49/90/20/966499020.db2.gz WIPWNNBZSMMMKY-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP COc1ccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000056894340 966505550 /nfs/dbraw/zinc/50/55/50/966505550.db2.gz KIHXXFJSZZJQNO-QHCPKHFHSA-N 2 2 419.529 3.517 20 0 HHADLP C[NH+]1CCC(NC(=S)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000063144984 966760272 /nfs/dbraw/zinc/76/02/72/966760272.db2.gz DIFCGSAKKRMEIY-UHFFFAOYSA-N 2 2 423.989 3.537 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000538118862 1013679925 /nfs/dbraw/zinc/67/99/25/1013679925.db2.gz LIUZOFFVFCOILZ-ROUUACIJSA-N 2 2 417.500 3.844 20 0 HHADLP C[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000043500125 966985875 /nfs/dbraw/zinc/98/58/75/966985875.db2.gz JDXWVUBVCNFXOX-QGZVFWFLSA-N 2 2 413.591 3.697 20 0 HHADLP C[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000043500125 966985887 /nfs/dbraw/zinc/98/58/87/966985887.db2.gz JDXWVUBVCNFXOX-QGZVFWFLSA-N 2 2 413.591 3.697 20 0 HHADLP C[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000043500120 966986321 /nfs/dbraw/zinc/98/63/21/966986321.db2.gz JDXWVUBVCNFXOX-KRWDZBQOSA-N 2 2 413.591 3.697 20 0 HHADLP C[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000043500120 966986325 /nfs/dbraw/zinc/98/63/25/966986325.db2.gz JDXWVUBVCNFXOX-KRWDZBQOSA-N 2 2 413.591 3.697 20 0 HHADLP Cc1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705117 /nfs/dbraw/zinc/70/51/17/1013705117.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 2 2 401.986 3.563 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848228 1013707659 /nfs/dbraw/zinc/70/76/59/1013707659.db2.gz KHWUZCNVONORNM-DVECYGJZSA-N 2 2 419.573 3.692 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848228 1013707666 /nfs/dbraw/zinc/70/76/66/1013707666.db2.gz KHWUZCNVONORNM-DVECYGJZSA-N 2 2 419.573 3.692 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000064959533 967339167 /nfs/dbraw/zinc/33/91/67/967339167.db2.gz AFYBHTPLJGLSCH-CRAIPNDOSA-N 2 2 411.472 3.673 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000045454468 967465283 /nfs/dbraw/zinc/46/52/83/967465283.db2.gz SZWMFMUPKNTTJO-RTBURBONSA-N 2 2 413.566 3.676 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045862834 967577882 /nfs/dbraw/zinc/57/78/82/967577882.db2.gz ZXNZTNMWARFIEC-UHFFFAOYSA-N 2 2 407.562 3.667 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000046737325 967946948 /nfs/dbraw/zinc/94/69/48/967946948.db2.gz DPNZQTHYHSOSSJ-SFTDATJTSA-N 2 2 416.610 3.929 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211290 1013764464 /nfs/dbraw/zinc/76/44/64/1013764464.db2.gz SWABPWOOGCRIGA-KOSHJBKYSA-N 2 2 424.564 3.638 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000097592263 969174188 /nfs/dbraw/zinc/17/41/88/969174188.db2.gz SDXNBYUUKRPNHJ-FDFHNCONSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000097592263 969174190 /nfs/dbraw/zinc/17/41/90/969174190.db2.gz SDXNBYUUKRPNHJ-FDFHNCONSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000097592263 969174195 /nfs/dbraw/zinc/17/41/95/969174195.db2.gz SDXNBYUUKRPNHJ-FDFHNCONSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000097592263 969174199 /nfs/dbraw/zinc/17/41/99/969174199.db2.gz SDXNBYUUKRPNHJ-FDFHNCONSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000108553602 969393150 /nfs/dbraw/zinc/39/31/50/969393150.db2.gz KZPOVNYSXBTCER-HSZRJFAPSA-N 2 2 418.541 3.897 20 0 HHADLP O=C(C[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109012439 969448335 /nfs/dbraw/zinc/44/83/35/969448335.db2.gz INXDFIBHWVPWRB-DEOSSOPVSA-N 2 2 405.542 3.609 20 0 HHADLP O=C(C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000109012439 969448339 /nfs/dbraw/zinc/44/83/39/969448339.db2.gz INXDFIBHWVPWRB-DEOSSOPVSA-N 2 2 405.542 3.609 20 0 HHADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000109681352 969548446 /nfs/dbraw/zinc/54/84/46/969548446.db2.gz AOJXOQLCFSRBGY-HXUWFJFHSA-N 2 2 416.516 3.717 20 0 HHADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000109681352 969548452 /nfs/dbraw/zinc/54/84/52/969548452.db2.gz AOJXOQLCFSRBGY-HXUWFJFHSA-N 2 2 416.516 3.717 20 0 HHADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000110183851 969634190 /nfs/dbraw/zinc/63/41/90/969634190.db2.gz NVJLRRPXWKJBED-UHFFFAOYSA-N 2 2 403.567 3.579 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000110876960 969732787 /nfs/dbraw/zinc/73/27/87/969732787.db2.gz AHJVJQJAPPYNND-JOCHJYFZSA-N 2 2 423.601 3.892 20 0 HHADLP CCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000112680453 969824356 /nfs/dbraw/zinc/82/43/56/969824356.db2.gz JEHFCJIHUOXJLT-UHFFFAOYSA-N 2 2 416.488 3.594 20 0 HHADLP CCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000112680453 969824361 /nfs/dbraw/zinc/82/43/61/969824361.db2.gz JEHFCJIHUOXJLT-UHFFFAOYSA-N 2 2 416.488 3.594 20 0 HHADLP Clc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)c(Cl)c1 ZINC000138351192 969989678 /nfs/dbraw/zinc/98/96/78/969989678.db2.gz QVEQAWSAUXWNLW-UHFFFAOYSA-N 2 2 411.333 3.588 20 0 HHADLP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OCc1cccs1 ZINC000216167715 970064851 /nfs/dbraw/zinc/06/48/51/970064851.db2.gz LUYOYHLOFMWXRP-UHFFFAOYSA-N 2 2 415.603 3.549 20 0 HHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000236621910 970146886 /nfs/dbraw/zinc/14/68/86/970146886.db2.gz GYAVGRORNBNCQL-UHFFFAOYSA-N 2 2 423.538 3.661 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)C1 ZINC000236867411 970182699 /nfs/dbraw/zinc/18/26/99/970182699.db2.gz VTLPCNWROMRKBX-LPHOPBHVSA-N 2 2 417.575 3.765 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)C1 ZINC000236867411 970182707 /nfs/dbraw/zinc/18/27/07/970182707.db2.gz VTLPCNWROMRKBX-LPHOPBHVSA-N 2 2 417.575 3.765 20 0 HHADLP COCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000237126229 970226999 /nfs/dbraw/zinc/22/69/99/970226999.db2.gz YUYWWQXZQVRZEI-UHFFFAOYSA-N 2 2 401.938 3.793 20 0 HHADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237204449 970240457 /nfs/dbraw/zinc/24/04/57/970240457.db2.gz YOVOMIISBCZOOM-UHFFFAOYSA-N 2 2 403.954 3.905 20 0 HHADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000237308903 970260181 /nfs/dbraw/zinc/26/01/81/970260181.db2.gz BJGXSOOOTBGCOM-SFHVURJKSA-N 2 2 424.035 3.793 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000554536927 1013973444 /nfs/dbraw/zinc/97/34/44/1013973444.db2.gz JFRXKYZJTXUUTQ-FQEVSTJZSA-N 2 2 407.562 3.545 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc12 ZINC000237774719 970364144 /nfs/dbraw/zinc/36/41/44/970364144.db2.gz ADKXAFFLMSJSEI-OYRHEFFESA-N 2 2 422.573 3.811 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc12 ZINC000237774719 970364157 /nfs/dbraw/zinc/36/41/57/970364157.db2.gz ADKXAFFLMSJSEI-OYRHEFFESA-N 2 2 422.573 3.811 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774597 970364212 /nfs/dbraw/zinc/36/42/12/970364212.db2.gz OBQLBMSNYFLVLN-BGYRXZFFSA-N 2 2 405.546 3.523 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774597 970364227 /nfs/dbraw/zinc/36/42/27/970364227.db2.gz OBQLBMSNYFLVLN-BGYRXZFFSA-N 2 2 405.546 3.523 20 0 HHADLP FC(F)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237797208 970369076 /nfs/dbraw/zinc/36/90/76/970369076.db2.gz OODNWJVLENEENR-ZDUSSCGKSA-N 2 2 419.310 3.641 20 0 HHADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237881568 970388318 /nfs/dbraw/zinc/38/83/18/970388318.db2.gz VHISTISLAWNVSJ-UHFFFAOYSA-N 2 2 421.564 3.903 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCN1c1ccc(OC(F)F)cc1 ZINC000237917317 970394749 /nfs/dbraw/zinc/39/47/49/970394749.db2.gz KKNKGBFKNRYQFF-FQEVSTJZSA-N 2 2 412.440 3.759 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)[NH+](C)C)cc1 ZINC000554688477 1014014029 /nfs/dbraw/zinc/01/40/29/1014014029.db2.gz MZPFFWVOVXQKQK-RBBKRZOGSA-N 2 2 411.594 3.599 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660676 972826906 /nfs/dbraw/zinc/82/69/06/972826906.db2.gz LRFUZPMCOUNQOD-YADHBBJMSA-N 2 2 417.594 3.657 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660676 972826920 /nfs/dbraw/zinc/82/69/20/972826920.db2.gz LRFUZPMCOUNQOD-YADHBBJMSA-N 2 2 417.594 3.657 20 0 HHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390878697 972831819 /nfs/dbraw/zinc/83/18/19/972831819.db2.gz SMKQOSYBKIZWQC-GOSISDBHSA-N 2 2 407.327 3.969 20 0 HHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390878697 972831824 /nfs/dbraw/zinc/83/18/24/972831824.db2.gz SMKQOSYBKIZWQC-GOSISDBHSA-N 2 2 407.327 3.969 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000409473909 972922121 /nfs/dbraw/zinc/92/21/21/972922121.db2.gz BTWPNCDJQCWFQT-FQEVSTJZSA-N 2 2 415.538 3.955 20 0 HHADLP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554841463 1014070881 /nfs/dbraw/zinc/07/08/81/1014070881.db2.gz IMTLXVGADTWWCY-DEOSSOPVSA-N 2 2 423.601 3.982 20 0 HHADLP CCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554841463 1014070887 /nfs/dbraw/zinc/07/08/87/1014070887.db2.gz IMTLXVGADTWWCY-DEOSSOPVSA-N 2 2 423.601 3.982 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409757426 973233321 /nfs/dbraw/zinc/23/33/21/973233321.db2.gz HLUQUGBCTMCEEP-HXUWFJFHSA-N 2 2 413.610 3.763 20 0 HHADLP C[N@H+](Cc1ccccc1Oc1cccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953089 974058528 /nfs/dbraw/zinc/05/85/28/974058528.db2.gz VIKPSHAFXUCHCW-RUZDIDTESA-N 2 2 403.526 3.943 20 0 HHADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953089 974058537 /nfs/dbraw/zinc/05/85/37/974058537.db2.gz VIKPSHAFXUCHCW-RUZDIDTESA-N 2 2 403.526 3.943 20 0 HHADLP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425953089 974058544 /nfs/dbraw/zinc/05/85/44/974058544.db2.gz VIKPSHAFXUCHCW-RUZDIDTESA-N 2 2 403.526 3.943 20 0 HHADLP C[NH+](Cc1ccccc1Oc1cccnc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425953089 974058560 /nfs/dbraw/zinc/05/85/60/974058560.db2.gz VIKPSHAFXUCHCW-RUZDIDTESA-N 2 2 403.526 3.943 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973139 974080448 /nfs/dbraw/zinc/08/04/48/974080448.db2.gz GHYIRXGSYNIEGW-IAGOWNOFSA-N 2 2 420.907 3.659 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973139 974080459 /nfs/dbraw/zinc/08/04/59/974080459.db2.gz GHYIRXGSYNIEGW-IAGOWNOFSA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973139 974080471 /nfs/dbraw/zinc/08/04/71/974080471.db2.gz GHYIRXGSYNIEGW-IAGOWNOFSA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973139 974080481 /nfs/dbraw/zinc/08/04/81/974080481.db2.gz GHYIRXGSYNIEGW-IAGOWNOFSA-N 2 2 420.907 3.659 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000426482713 974478442 /nfs/dbraw/zinc/47/84/42/974478442.db2.gz MPMVEJLUNGCIGL-GOTSBHOMSA-N 2 2 421.520 3.812 20 0 HHADLP Cc1cc(C(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000426769902 974645902 /nfs/dbraw/zinc/64/59/02/974645902.db2.gz MVUSBGBDKNQCLP-KDURUIRLSA-N 2 2 401.595 3.834 20 0 HHADLP Cc1cc(C(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000426769902 974645907 /nfs/dbraw/zinc/64/59/07/974645907.db2.gz MVUSBGBDKNQCLP-KDURUIRLSA-N 2 2 401.595 3.834 20 0 HHADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426801350 974670167 /nfs/dbraw/zinc/67/01/67/974670167.db2.gz QZXREJHIHVMZRK-CEXWTWQISA-N 2 2 408.587 3.515 20 0 HHADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426801350 974670172 /nfs/dbraw/zinc/67/01/72/974670172.db2.gz QZXREJHIHVMZRK-CEXWTWQISA-N 2 2 408.587 3.515 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426822083 974687573 /nfs/dbraw/zinc/68/75/73/974687573.db2.gz ZOXYYRSQIIYZHW-KZNAEPCWSA-N 2 2 407.986 3.878 20 0 HHADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288982 975026720 /nfs/dbraw/zinc/02/67/20/975026720.db2.gz SCWWLHVJPMLAKY-GOSISDBHSA-N 2 2 403.464 3.571 20 0 HHADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288982 975026722 /nfs/dbraw/zinc/02/67/22/975026722.db2.gz SCWWLHVJPMLAKY-GOSISDBHSA-N 2 2 403.464 3.571 20 0 HHADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288982 975026735 /nfs/dbraw/zinc/02/67/35/975026735.db2.gz SCWWLHVJPMLAKY-GOSISDBHSA-N 2 2 403.464 3.571 20 0 HHADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288982 975026740 /nfs/dbraw/zinc/02/67/40/975026740.db2.gz SCWWLHVJPMLAKY-GOSISDBHSA-N 2 2 403.464 3.571 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)cc1F ZINC000427696441 975242417 /nfs/dbraw/zinc/24/24/17/975242417.db2.gz QEHNFBKUDFBDSG-AWEZNQCLSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427865761 975327661 /nfs/dbraw/zinc/32/76/61/975327661.db2.gz JAJLSKRLKXNOMQ-YPMHNXCESA-N 2 2 400.832 3.877 20 0 HHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(Br)c1 ZINC000428529634 975823088 /nfs/dbraw/zinc/82/30/88/975823088.db2.gz BGCARVISELIXQB-GOSISDBHSA-N 2 2 400.320 3.576 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000428760707 976032925 /nfs/dbraw/zinc/03/29/25/976032925.db2.gz PEYIFMGDLVBUES-UHFFFAOYSA-N 2 2 411.594 3.840 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428767081 976038434 /nfs/dbraw/zinc/03/84/34/976038434.db2.gz VWAAQDSURVHVCO-UHFFFAOYSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428783736 976058906 /nfs/dbraw/zinc/05/89/06/976058906.db2.gz KCGAGBTYURPJFS-MOJGAOKDSA-N 2 2 409.578 3.517 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428783736 976058921 /nfs/dbraw/zinc/05/89/21/976058921.db2.gz KCGAGBTYURPJFS-MOJGAOKDSA-N 2 2 409.578 3.517 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428814291 976093542 /nfs/dbraw/zinc/09/35/42/976093542.db2.gz GFSKPNCVOIMBSF-IRLDBZIGSA-N 2 2 411.594 3.920 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428814291 976093550 /nfs/dbraw/zinc/09/35/50/976093550.db2.gz GFSKPNCVOIMBSF-IRLDBZIGSA-N 2 2 411.594 3.920 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429042192 976327089 /nfs/dbraw/zinc/32/70/89/976327089.db2.gz DFQXCIIPUFNRDE-SFTDATJTSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429042192 976327105 /nfs/dbraw/zinc/32/71/05/976327105.db2.gz DFQXCIIPUFNRDE-SFTDATJTSA-N 2 2 422.976 3.788 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000429229739 976521551 /nfs/dbraw/zinc/52/15/51/976521551.db2.gz DNQOYOHBGIMVLD-LJQANCHMSA-N 2 2 420.504 3.955 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000429229739 976521563 /nfs/dbraw/zinc/52/15/63/976521563.db2.gz DNQOYOHBGIMVLD-LJQANCHMSA-N 2 2 420.504 3.955 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000429258665 976546668 /nfs/dbraw/zinc/54/66/68/976546668.db2.gz VQHSXMFGHMJBHQ-UHFFFAOYSA-N 2 2 420.941 3.611 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000429258665 976546681 /nfs/dbraw/zinc/54/66/81/976546681.db2.gz VQHSXMFGHMJBHQ-UHFFFAOYSA-N 2 2 420.941 3.611 20 0 HHADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429422727 976700620 /nfs/dbraw/zinc/70/06/20/976700620.db2.gz HYGYVSDEVFLFNH-XZOQPEGZSA-N 2 2 412.574 3.906 20 0 HHADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429422727 976700630 /nfs/dbraw/zinc/70/06/30/976700630.db2.gz HYGYVSDEVFLFNH-XZOQPEGZSA-N 2 2 412.574 3.906 20 0 HHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451899 976727711 /nfs/dbraw/zinc/72/77/11/976727711.db2.gz MWGZJODPDVXNDN-GGAORHGYSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451899 976727719 /nfs/dbraw/zinc/72/77/19/976727719.db2.gz MWGZJODPDVXNDN-GGAORHGYSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451904 976727832 /nfs/dbraw/zinc/72/78/32/976727832.db2.gz MWGZJODPDVXNDN-GMAHTHKFSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000429451904 976727839 /nfs/dbraw/zinc/72/78/39/976727839.db2.gz MWGZJODPDVXNDN-GMAHTHKFSA-N 2 2 409.574 3.901 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429703480 976995964 /nfs/dbraw/zinc/99/59/64/976995964.db2.gz MOAAKOPNPRLVJC-JOCHJYFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429703480 976995974 /nfs/dbraw/zinc/99/59/74/976995974.db2.gz MOAAKOPNPRLVJC-JOCHJYFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429703480 976995987 /nfs/dbraw/zinc/99/59/87/976995987.db2.gz MOAAKOPNPRLVJC-JOCHJYFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429703480 976995995 /nfs/dbraw/zinc/99/59/95/976995995.db2.gz MOAAKOPNPRLVJC-JOCHJYFZSA-N 2 2 402.542 3.943 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000429720969 977011269 /nfs/dbraw/zinc/01/12/69/977011269.db2.gz JFJWCYJLFCWIBD-UHFFFAOYSA-N 2 2 407.558 3.715 20 0 HHADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000430237544 977410639 /nfs/dbraw/zinc/41/06/39/977410639.db2.gz FLBMGXRBCIVULY-FQEVSTJZSA-N 2 2 422.411 3.883 20 0 HHADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000430237544 977410642 /nfs/dbraw/zinc/41/06/42/977410642.db2.gz FLBMGXRBCIVULY-FQEVSTJZSA-N 2 2 422.411 3.883 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430283162 977446304 /nfs/dbraw/zinc/44/63/04/977446304.db2.gz IPTZFRVIMKGCNO-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430283162 977446310 /nfs/dbraw/zinc/44/63/10/977446310.db2.gz IPTZFRVIMKGCNO-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000430651822 977668917 /nfs/dbraw/zinc/66/89/17/977668917.db2.gz MLLYCLXSXLKTJR-AGILITTLSA-N 2 2 423.626 3.946 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000430651822 977668920 /nfs/dbraw/zinc/66/89/20/977668920.db2.gz MLLYCLXSXLKTJR-AGILITTLSA-N 2 2 423.626 3.946 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430844028 977795301 /nfs/dbraw/zinc/79/53/01/977795301.db2.gz IBGCSJDXXZMEMO-WOJBJXKFSA-N 2 2 403.958 3.621 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1cccc2ccccc21 ZINC000430924051 977890805 /nfs/dbraw/zinc/89/08/05/977890805.db2.gz HQDLZSCFWRGBED-UHFFFAOYSA-N 3 2 422.617 3.906 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1cccc2ccccc21 ZINC000430924051 977890818 /nfs/dbraw/zinc/89/08/18/977890818.db2.gz HQDLZSCFWRGBED-UHFFFAOYSA-N 3 2 422.617 3.906 20 0 HHADLP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930703 977895006 /nfs/dbraw/zinc/89/50/06/977895006.db2.gz YDJHVHQYQXNOTI-IBGZPJMESA-N 3 2 411.594 3.926 20 0 HHADLP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430930703 977895010 /nfs/dbraw/zinc/89/50/10/977895010.db2.gz YDJHVHQYQXNOTI-IBGZPJMESA-N 3 2 411.594 3.926 20 0 HHADLP COC(=O)[C@H](c1cccc(Cl)c1)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430932708 977896775 /nfs/dbraw/zinc/89/67/75/977896775.db2.gz GXYOKDYRJAFKGR-QFIPXVFZSA-N 2 2 422.013 3.682 20 0 HHADLP CCN(C(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430932645 977897505 /nfs/dbraw/zinc/89/75/05/977897505.db2.gz ZNOOYKGPGKYYTJ-OAQYLSRUSA-N 3 2 414.638 3.556 20 0 HHADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430932645 977897515 /nfs/dbraw/zinc/89/75/15/977897515.db2.gz ZNOOYKGPGKYYTJ-OAQYLSRUSA-N 3 2 414.638 3.556 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430936705 977900294 /nfs/dbraw/zinc/90/02/94/977900294.db2.gz WBDJISMWYWBZOQ-UHFFFAOYSA-N 3 2 414.638 3.877 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430936705 977900301 /nfs/dbraw/zinc/90/03/01/977900301.db2.gz WBDJISMWYWBZOQ-UHFFFAOYSA-N 3 2 414.638 3.877 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431868262 978562153 /nfs/dbraw/zinc/56/21/53/978562153.db2.gz GABOGOIQHADFDJ-LEWJYISDSA-N 2 2 401.599 3.772 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)cc2)CC1 ZINC000432228250 978722933 /nfs/dbraw/zinc/72/29/33/978722933.db2.gz IAXMGLKDPSRKGI-UHFFFAOYSA-N 2 2 410.320 3.810 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)CC2)CC1 ZINC000432375774 978785014 /nfs/dbraw/zinc/78/50/14/978785014.db2.gz SZZZSMCSIYQXOV-JOCHJYFZSA-N 2 2 420.548 3.760 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432448662 978817949 /nfs/dbraw/zinc/81/79/49/978817949.db2.gz JREBYRNWLVHDML-YADHBBJMSA-N 2 2 411.594 3.955 20 0 HHADLP COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432785810 978973850 /nfs/dbraw/zinc/97/38/50/978973850.db2.gz NAMKYOHPTAEDOS-ZEQRLZLVSA-N 3 2 416.654 3.527 20 0 HHADLP COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000432785810 978973853 /nfs/dbraw/zinc/97/38/53/978973853.db2.gz NAMKYOHPTAEDOS-ZEQRLZLVSA-N 3 2 416.654 3.527 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433932010 979691291 /nfs/dbraw/zinc/69/12/91/979691291.db2.gz PNVIKPKTUQPQGE-JXALWOEJSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433932010 979691299 /nfs/dbraw/zinc/69/12/99/979691299.db2.gz PNVIKPKTUQPQGE-JXALWOEJSA-N 2 2 422.573 3.922 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433941854 979701807 /nfs/dbraw/zinc/70/18/07/979701807.db2.gz SCTKKTWVFNBMHN-NHCUHLMSSA-N 2 2 414.937 3.735 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434098474 979848859 /nfs/dbraw/zinc/84/88/59/979848859.db2.gz RPHJYBCBZFKCFC-UHFFFAOYSA-N 2 2 413.610 3.763 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000434298527 980058112 /nfs/dbraw/zinc/05/81/12/980058112.db2.gz SWDPGZKPTDIIJI-KJXAQDMKSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000434298527 980058119 /nfs/dbraw/zinc/05/81/19/980058119.db2.gz SWDPGZKPTDIIJI-KJXAQDMKSA-N 2 2 408.546 3.545 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434456289 980192005 /nfs/dbraw/zinc/19/20/05/980192005.db2.gz IYIDVKZYEVBCTN-GSPCLOLRSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434456289 980192011 /nfs/dbraw/zinc/19/20/11/980192011.db2.gz IYIDVKZYEVBCTN-GSPCLOLRSA-N 2 2 416.585 3.660 20 0 HHADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677954 980334124 /nfs/dbraw/zinc/33/41/24/980334124.db2.gz AMFGDYMQEHKGSY-UHFFFAOYSA-N 2 2 421.589 3.946 20 0 HHADLP COc1ccc([C@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434683465 980337371 /nfs/dbraw/zinc/33/73/71/980337371.db2.gz CVSTXMDFWFPKSS-XMMPIXPASA-N 2 2 422.573 3.675 20 0 HHADLP COc1cc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)ccc1C ZINC000434686466 980338876 /nfs/dbraw/zinc/33/88/76/980338876.db2.gz TYAYQCFZLBQHPP-UHFFFAOYSA-N 2 2 407.518 3.966 20 0 HHADLP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434691521 980343789 /nfs/dbraw/zinc/34/37/89/980343789.db2.gz RZTHJXCVULBAMM-UHFFFAOYSA-N 2 2 401.576 3.571 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000435117878 980651495 /nfs/dbraw/zinc/65/14/95/980651495.db2.gz WBEATTIRWGIIPH-FQEVSTJZSA-N 2 2 419.529 3.700 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000435117878 980651501 /nfs/dbraw/zinc/65/15/01/980651501.db2.gz WBEATTIRWGIIPH-FQEVSTJZSA-N 2 2 419.529 3.700 20 0 HHADLP C[C@@H](c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122884 980655660 /nfs/dbraw/zinc/65/56/60/980655660.db2.gz DCDXXVQBUIEGKV-RTWAWAEBSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122884 980655665 /nfs/dbraw/zinc/65/56/65/980655665.db2.gz DCDXXVQBUIEGKV-RTWAWAEBSA-N 2 2 422.573 3.818 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2cccs2)CC1 ZINC000435577121 980947788 /nfs/dbraw/zinc/94/77/88/980947788.db2.gz DJMFHPSQWNTMGW-IBGZPJMESA-N 2 2 401.580 3.833 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000436018824 981159081 /nfs/dbraw/zinc/15/90/81/981159081.db2.gz LOKNUFLQUCOHGU-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000436018824 981159085 /nfs/dbraw/zinc/15/90/85/981159085.db2.gz LOKNUFLQUCOHGU-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000436288586 981284824 /nfs/dbraw/zinc/28/48/24/981284824.db2.gz VXEIWGBYDUENCR-UHFFFAOYSA-N 2 2 418.472 3.708 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372249 981731039 /nfs/dbraw/zinc/73/10/39/981731039.db2.gz CBPXNMRZTBPFCP-HBMCJLEFSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372249 981731046 /nfs/dbraw/zinc/73/10/46/981731046.db2.gz CBPXNMRZTBPFCP-HBMCJLEFSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372249 981731050 /nfs/dbraw/zinc/73/10/50/981731050.db2.gz CBPXNMRZTBPFCP-HBMCJLEFSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372249 981731055 /nfs/dbraw/zinc/73/10/55/981731055.db2.gz CBPXNMRZTBPFCP-HBMCJLEFSA-N 2 2 416.610 3.785 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437146913 981796416 /nfs/dbraw/zinc/79/64/16/981796416.db2.gz RGLLRPNXJJKQHT-SZPZYZBQSA-N 2 2 407.606 3.840 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437146913 981796424 /nfs/dbraw/zinc/79/64/24/981796424.db2.gz RGLLRPNXJJKQHT-SZPZYZBQSA-N 2 2 407.606 3.840 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000448473870 981815691 /nfs/dbraw/zinc/81/56/91/981815691.db2.gz NVMKMYCWPICQQF-PTUXOGIPSA-N 2 2 409.578 3.779 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000448473870 981815700 /nfs/dbraw/zinc/81/57/00/981815700.db2.gz NVMKMYCWPICQQF-PTUXOGIPSA-N 2 2 409.578 3.779 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437647965 982266860 /nfs/dbraw/zinc/26/68/60/982266860.db2.gz DZPCMJYDXHEPHJ-UHFFFAOYSA-N 2 2 424.520 3.732 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000437647965 982266865 /nfs/dbraw/zinc/26/68/65/982266865.db2.gz DZPCMJYDXHEPHJ-UHFFFAOYSA-N 2 2 424.520 3.732 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)([NH+]2CCCCC2)CC1 ZINC000460477964 982270707 /nfs/dbraw/zinc/27/07/07/982270707.db2.gz DLZWLGDVBBLINE-UHFFFAOYSA-N 2 2 403.570 3.938 20 0 HHADLP Cc1ccc(C)c(OCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000460492011 982281570 /nfs/dbraw/zinc/28/15/70/982281570.db2.gz OYXAVCXWNVNTFZ-UHFFFAOYSA-N 2 2 415.622 3.919 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000437736211 982327478 /nfs/dbraw/zinc/32/74/78/982327478.db2.gz LRPOTVZHDTXNEW-SFHLNBCPSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000437736211 982327489 /nfs/dbraw/zinc/32/74/89/982327489.db2.gz LRPOTVZHDTXNEW-SFHLNBCPSA-N 2 2 402.583 3.634 20 0 HHADLP CCOCCCn1c2ccccc2[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000460660317 982429982 /nfs/dbraw/zinc/42/99/82/982429982.db2.gz ZXSOLTBGEMDEEW-UHFFFAOYSA-N 2 2 413.591 4.298 20 0 HHADLP CCOCCCn1c2ccccc2[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000460660317 982429986 /nfs/dbraw/zinc/42/99/86/982429986.db2.gz ZXSOLTBGEMDEEW-UHFFFAOYSA-N 2 2 413.591 4.298 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438276199 982694600 /nfs/dbraw/zinc/69/46/00/982694600.db2.gz DFWLLEHDHVGBDM-BWKNWUBXSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000438276199 982694602 /nfs/dbraw/zinc/69/46/02/982694602.db2.gz DFWLLEHDHVGBDM-BWKNWUBXSA-N 2 2 420.601 3.673 20 0 HHADLP Cn1c2ccccc2c(Cl)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000461280069 982981266 /nfs/dbraw/zinc/98/12/66/982981266.db2.gz ZIEFWKKKYRTNKI-UHFFFAOYSA-N 2 2 402.970 3.512 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461435522 983098394 /nfs/dbraw/zinc/09/83/94/983098394.db2.gz XVTUHUMYIHUMAG-VXKWHMMOSA-N 2 2 400.526 3.775 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461435522 983098398 /nfs/dbraw/zinc/09/83/98/983098398.db2.gz XVTUHUMYIHUMAG-VXKWHMMOSA-N 2 2 400.526 3.775 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)CC1 ZINC000439263805 983338127 /nfs/dbraw/zinc/33/81/27/983338127.db2.gz SLQUNHKWTKDALK-UHFFFAOYSA-N 2 2 422.411 3.618 20 0 HHADLP CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)CCCC2 ZINC000439647936 983483174 /nfs/dbraw/zinc/48/31/74/983483174.db2.gz NJKODMFYDLATCO-HNNXBMFYSA-N 2 2 421.607 3.593 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000440099866 983644342 /nfs/dbraw/zinc/64/43/42/983644342.db2.gz HYKPTGOLLHKFQB-SJLPKXTDSA-N 2 2 408.468 3.664 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000440815786 983918925 /nfs/dbraw/zinc/91/89/25/983918925.db2.gz ABWGHLFKGQDEPJ-RTWAWAEBSA-N 2 2 411.575 3.905 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258631 984143502 /nfs/dbraw/zinc/14/35/02/984143502.db2.gz SZPHRNKYRRJHFR-VJBWXMMDSA-N 2 2 405.627 3.664 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258631 984143504 /nfs/dbraw/zinc/14/35/04/984143504.db2.gz SZPHRNKYRRJHFR-VJBWXMMDSA-N 2 2 405.627 3.664 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441385944 984223376 /nfs/dbraw/zinc/22/33/76/984223376.db2.gz OBFQLDTZCOUBMS-DENIHFKCSA-N 2 2 406.530 3.544 20 0 HHADLP CC[C@@H](C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](CC)CC ZINC000461654241 984673236 /nfs/dbraw/zinc/67/32/36/984673236.db2.gz ISUIMORBCAPPSD-FQEVSTJZSA-N 2 2 403.615 3.846 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000442233929 984754305 /nfs/dbraw/zinc/75/43/05/984754305.db2.gz DQXSIFOSCVQAFY-GOTSBHOMSA-N 2 2 405.546 3.843 20 0 HHADLP Cn1c[nH+]cc1CNC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000462168141 985145395 /nfs/dbraw/zinc/14/53/95/985145395.db2.gz XPEYMYDZTMXKTH-UHFFFAOYSA-N 2 2 410.349 3.535 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000462219809 985200570 /nfs/dbraw/zinc/20/05/70/985200570.db2.gz YCZROWWRPRNYOV-OXJNMPFZSA-N 2 2 404.555 3.578 20 0 HHADLP Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(OCC[NH+](C)C)c1 ZINC000462671319 985609573 /nfs/dbraw/zinc/60/95/73/985609573.db2.gz BSHGLYNOKMQDDQ-GOSISDBHSA-N 2 2 416.591 3.908 20 0 HHADLP O=c1[nH]c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2sc3c(c21)CCC3 ZINC000443594285 985770424 /nfs/dbraw/zinc/77/04/24/985770424.db2.gz WZDRXIZJPZUQNR-UHFFFAOYSA-N 2 2 400.592 3.974 20 0 HHADLP CCC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468153761 985825531 /nfs/dbraw/zinc/82/55/31/985825531.db2.gz MBLLQDXGZZAPAI-OAQYLSRUSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021082 985978601 /nfs/dbraw/zinc/97/86/01/985978601.db2.gz OERFWADXOADTLO-OFNKIYASSA-N 2 2 409.578 3.605 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021082 985978613 /nfs/dbraw/zinc/97/86/13/985978613.db2.gz OERFWADXOADTLO-OFNKIYASSA-N 2 2 409.578 3.605 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208585 986389551 /nfs/dbraw/zinc/38/95/51/986389551.db2.gz YFEZDIGSWFZMRG-DENIHFKCSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208585 986389558 /nfs/dbraw/zinc/38/95/58/986389558.db2.gz YFEZDIGSWFZMRG-DENIHFKCSA-N 2 2 409.578 3.884 20 0 HHADLP C[NH+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cccc(Cl)c1 ZINC000444460371 986642924 /nfs/dbraw/zinc/64/29/24/986642924.db2.gz JZQBKRGFFSKDRL-NRFANRHFSA-N 2 2 401.938 3.538 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000444597723 986785273 /nfs/dbraw/zinc/78/52/73/986785273.db2.gz ONZQRVNDEFLCIJ-INIZCTEOSA-N 2 2 409.509 3.942 20 0 HHADLP CC[N@H+](CCC(=O)N1CCc2ccccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444602893 986790120 /nfs/dbraw/zinc/79/01/20/986790120.db2.gz NRLUXWCOWQXWCX-UHFFFAOYSA-N 2 2 406.574 3.595 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444602893 986790129 /nfs/dbraw/zinc/79/01/29/986790129.db2.gz NRLUXWCOWQXWCX-UHFFFAOYSA-N 2 2 406.574 3.595 20 0 HHADLP Cc1nc(-c2ccccc2)sc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444913760 987061002 /nfs/dbraw/zinc/06/10/02/987061002.db2.gz OYHNFIPPNOEAQI-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP COc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(OC)c1C(C)C ZINC000444920697 987068376 /nfs/dbraw/zinc/06/83/76/987068376.db2.gz GQBJKIRSXZFZBR-UHFFFAOYSA-N 2 2 418.582 3.507 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011550 987142993 /nfs/dbraw/zinc/14/29/93/987142993.db2.gz MXMRDSWTDBMKFY-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011550 987142996 /nfs/dbraw/zinc/14/29/96/987142996.db2.gz MXMRDSWTDBMKFY-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469508061 987185144 /nfs/dbraw/zinc/18/51/44/987185144.db2.gz GJYGXWVXHDBGGQ-RTWAWAEBSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469508061 987185146 /nfs/dbraw/zinc/18/51/46/987185146.db2.gz GJYGXWVXHDBGGQ-RTWAWAEBSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469508061 987185151 /nfs/dbraw/zinc/18/51/51/987185151.db2.gz GJYGXWVXHDBGGQ-RTWAWAEBSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469508061 987185153 /nfs/dbraw/zinc/18/51/53/987185153.db2.gz GJYGXWVXHDBGGQ-RTWAWAEBSA-N 2 2 417.475 3.670 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469736564 987387513 /nfs/dbraw/zinc/38/75/13/987387513.db2.gz MMSORVYORJJNLI-WVBUVRCRSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469736564 987387519 /nfs/dbraw/zinc/38/75/19/987387519.db2.gz MMSORVYORJJNLI-WVBUVRCRSA-N 2 2 412.534 3.872 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469769335 987421496 /nfs/dbraw/zinc/42/14/96/987421496.db2.gz OQEWSHRTNSHGRJ-HOTGVXAUSA-N 2 2 415.607 3.520 20 0 HHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000469789346 987434538 /nfs/dbraw/zinc/43/45/38/987434538.db2.gz FAEVXWULHBFVJW-LPHOPBHVSA-N 2 2 400.592 3.815 20 0 HHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000469789346 987434542 /nfs/dbraw/zinc/43/45/42/987434542.db2.gz FAEVXWULHBFVJW-LPHOPBHVSA-N 2 2 400.592 3.815 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@H](C)C1 ZINC000469792364 987436638 /nfs/dbraw/zinc/43/66/38/987436638.db2.gz XFCQAGPIPOEKGH-OFNKIYASSA-N 2 2 411.590 3.919 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@H](C)C1 ZINC000469792364 987436639 /nfs/dbraw/zinc/43/66/39/987436639.db2.gz XFCQAGPIPOEKGH-OFNKIYASSA-N 2 2 411.590 3.919 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000469839986 987475040 /nfs/dbraw/zinc/47/50/40/987475040.db2.gz CNWAKOTXDMPCBV-UTKZUKDTSA-N 2 2 415.969 3.794 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000469858217 987495789 /nfs/dbraw/zinc/49/57/89/987495789.db2.gz CKOKFDNQAYKPCP-OFNKIYASSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(OC)c1 ZINC000469867951 987505148 /nfs/dbraw/zinc/50/51/48/987505148.db2.gz ZHVSSYNJMHNWBN-BWAGFHJFSA-N 2 2 413.566 3.567 20 0 HHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000469982615 987599402 /nfs/dbraw/zinc/59/94/02/987599402.db2.gz OSIJJRVJTBLJMC-IBGZPJMESA-N 2 2 410.562 3.505 20 0 HHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CCCOc3ccccc3C(N)=O)c(C)c2)CC1 ZINC000469982579 987599586 /nfs/dbraw/zinc/59/95/86/987599586.db2.gz OJCZUAMDVDGWFM-HXUWFJFHSA-N 2 2 424.589 3.895 20 0 HHADLP Cc1oc2ccccc2c1CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000464140501 988261126 /nfs/dbraw/zinc/26/11/26/988261126.db2.gz KLJXMKXOXMYPFV-UHFFFAOYSA-N 2 2 412.578 3.533 20 0 HHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)C ZINC000470504319 988500552 /nfs/dbraw/zinc/50/05/52/988500552.db2.gz WAUCHTWCOTXJQH-SFHVURJKSA-N 2 2 410.553 3.737 20 0 HHADLP CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)C ZINC000470504319 988500559 /nfs/dbraw/zinc/50/05/59/988500559.db2.gz WAUCHTWCOTXJQH-SFHVURJKSA-N 2 2 410.553 3.737 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000470598666 988615013 /nfs/dbraw/zinc/61/50/13/988615013.db2.gz GVOIPWJJIWNBIL-IBGZPJMESA-N 2 2 402.420 3.924 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)ccc1Br ZINC000464677122 988878501 /nfs/dbraw/zinc/87/85/01/988878501.db2.gz LMWLYXYXBBJFSJ-LJQANCHMSA-N 2 2 417.351 3.787 20 0 HHADLP CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000464752491 988973423 /nfs/dbraw/zinc/97/34/23/988973423.db2.gz QIXYUJPVERVANL-IBGZPJMESA-N 2 2 416.610 3.530 20 0 HHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938101 989006667 /nfs/dbraw/zinc/00/66/67/989006667.db2.gz SGHFZGNZIKZOHB-HFTRVMKXSA-N 2 2 417.903 3.866 20 0 HHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938101 989006679 /nfs/dbraw/zinc/00/66/79/989006679.db2.gz SGHFZGNZIKZOHB-HFTRVMKXSA-N 2 2 417.903 3.866 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781529 989008596 /nfs/dbraw/zinc/00/85/96/989008596.db2.gz VVGGEGZTAGGTEI-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781529 989008601 /nfs/dbraw/zinc/00/86/01/989008601.db2.gz VVGGEGZTAGGTEI-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781527 989008627 /nfs/dbraw/zinc/00/86/27/989008627.db2.gz VVGGEGZTAGGTEI-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781527 989008634 /nfs/dbraw/zinc/00/86/34/989008634.db2.gz VVGGEGZTAGGTEI-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)sc1C ZINC000464804490 989033861 /nfs/dbraw/zinc/03/38/61/989033861.db2.gz FPVKJHPVRYNDPL-UHFFFAOYSA-N 2 2 418.632 3.772 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000464820427 989058073 /nfs/dbraw/zinc/05/80/73/989058073.db2.gz WISJQHSINZWRSN-UHFFFAOYSA-N 2 2 421.029 3.767 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841018 989086804 /nfs/dbraw/zinc/08/68/04/989086804.db2.gz VWVDSFUWFFQRLH-UNMCSNQZSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841018 989086811 /nfs/dbraw/zinc/08/68/11/989086811.db2.gz VWVDSFUWFFQRLH-UNMCSNQZSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841018 989086821 /nfs/dbraw/zinc/08/68/21/989086821.db2.gz VWVDSFUWFFQRLH-UNMCSNQZSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841018 989086838 /nfs/dbraw/zinc/08/68/38/989086838.db2.gz VWVDSFUWFFQRLH-UNMCSNQZSA-N 2 2 409.574 3.669 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843568 989092390 /nfs/dbraw/zinc/09/23/90/989092390.db2.gz WDDKKPZTYAIEIK-DGSWPCFUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843568 989092395 /nfs/dbraw/zinc/09/23/95/989092395.db2.gz WDDKKPZTYAIEIK-DGSWPCFUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843568 989092401 /nfs/dbraw/zinc/09/24/01/989092401.db2.gz WDDKKPZTYAIEIK-DGSWPCFUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843568 989092409 /nfs/dbraw/zinc/09/24/09/989092409.db2.gz WDDKKPZTYAIEIK-DGSWPCFUSA-N 2 2 409.618 3.914 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000471175384 989303895 /nfs/dbraw/zinc/30/38/95/989303895.db2.gz DHHVZSVDPUDCGQ-QHCPKHFHSA-N 2 2 402.542 3.861 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000471175384 989303902 /nfs/dbraw/zinc/30/39/02/989303902.db2.gz DHHVZSVDPUDCGQ-QHCPKHFHSA-N 2 2 402.542 3.861 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000471290752 989449365 /nfs/dbraw/zinc/44/93/65/989449365.db2.gz CSWSTSATAMBURP-NRFANRHFSA-N 2 2 419.529 3.606 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000471290752 989449369 /nfs/dbraw/zinc/44/93/69/989449369.db2.gz CSWSTSATAMBURP-NRFANRHFSA-N 2 2 419.529 3.606 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000465443574 989786601 /nfs/dbraw/zinc/78/66/01/989786601.db2.gz OSRPQYOYZFHGSZ-UHFFFAOYSA-N 2 2 401.599 3.639 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2CCC(c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000465514368 989865787 /nfs/dbraw/zinc/86/57/87/989865787.db2.gz KTUGIPWAMBLOQB-UHFFFAOYSA-N 2 2 412.622 3.962 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554332 989917225 /nfs/dbraw/zinc/91/72/25/989917225.db2.gz XIZZFQIGXBHEEK-YLJYHZDGSA-N 2 2 424.992 3.989 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554332 989917234 /nfs/dbraw/zinc/91/72/34/989917234.db2.gz XIZZFQIGXBHEEK-YLJYHZDGSA-N 2 2 424.992 3.989 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471877631 990050050 /nfs/dbraw/zinc/05/00/50/990050050.db2.gz SIZOQTZZJQTBDW-VXKWHMMOSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471877631 990050057 /nfs/dbraw/zinc/05/00/57/990050057.db2.gz SIZOQTZZJQTBDW-VXKWHMMOSA-N 2 2 411.594 3.979 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2cc3ccccc3s2)([NH+]2CCCCC2)CC1 ZINC000465713803 990099378 /nfs/dbraw/zinc/09/93/78/990099378.db2.gz IPGNGZFZWSGISL-UHFFFAOYSA-N 2 2 400.592 3.651 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000465747395 990132510 /nfs/dbraw/zinc/13/25/10/990132510.db2.gz GLUMOIJTVNTANS-FQEVSTJZSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000465747395 990132513 /nfs/dbraw/zinc/13/25/13/990132513.db2.gz GLUMOIJTVNTANS-FQEVSTJZSA-N 2 2 415.626 3.840 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)([NH+]2CCCCC2)CC1 ZINC000465762285 990147677 /nfs/dbraw/zinc/14/76/77/990147677.db2.gz YORSOJDIPORFSE-HXUWFJFHSA-N 2 2 404.986 3.577 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000465762265 990147811 /nfs/dbraw/zinc/14/78/11/990147811.db2.gz YKQRAXVTXCLKGZ-WIYYLYMNSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000465762265 990147815 /nfs/dbraw/zinc/14/78/15/990147815.db2.gz YKQRAXVTXCLKGZ-WIYYLYMNSA-N 2 2 409.559 3.816 20 0 HHADLP CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465809099 990191259 /nfs/dbraw/zinc/19/12/59/990191259.db2.gz KEDOCUGQHYABJB-GCJKJVERSA-N 2 2 416.610 3.883 20 0 HHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000465809795 990191928 /nfs/dbraw/zinc/19/19/28/990191928.db2.gz KKJKEXWXSSOYDQ-JOCHJYFZSA-N 2 2 400.611 3.601 20 0 HHADLP Cc1ccc(C(C)(C)CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465933229 991069427 /nfs/dbraw/zinc/06/94/27/991069427.db2.gz IFIUCXZQQZLPAZ-UHFFFAOYSA-N 2 2 400.611 3.522 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC(C)(C)Cc2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000465939567 991076651 /nfs/dbraw/zinc/07/66/51/991076651.db2.gz NEXDMBLTSICATK-UHFFFAOYSA-N 2 2 421.029 3.911 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000465941000 991080231 /nfs/dbraw/zinc/08/02/31/991080231.db2.gz PNFORKSSDKCSNO-FQEVSTJZSA-N 2 2 400.611 3.602 20 0 HHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000465971690 991123521 /nfs/dbraw/zinc/12/35/21/991123521.db2.gz YQEJEFOCZDZHSQ-QFIPXVFZSA-N 2 2 414.638 3.992 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000466006997 991172500 /nfs/dbraw/zinc/17/25/00/991172500.db2.gz JAAMUPYCRDQCJY-UHFFFAOYSA-N 2 2 405.546 3.652 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466012656 991178235 /nfs/dbraw/zinc/17/82/35/991178235.db2.gz DSBGRAIFLGDGGU-FQEVSTJZSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000466012656 991178238 /nfs/dbraw/zinc/17/82/38/991178238.db2.gz DSBGRAIFLGDGGU-FQEVSTJZSA-N 2 2 403.530 3.678 20 0 HHADLP CN(CCc1cccc2ccccc21)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466137133 991317986 /nfs/dbraw/zinc/31/79/86/991317986.db2.gz AFIFCFBGUWZADQ-UHFFFAOYSA-N 2 2 422.617 3.974 20 0 HHADLP C[C@H](c1c(F)cccc1F)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466138180 991320018 /nfs/dbraw/zinc/32/00/18/991320018.db2.gz IQJUKUMUEBPYST-QGZVFWFLSA-N 2 2 408.537 3.618 20 0 HHADLP CCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000466143468 991326140 /nfs/dbraw/zinc/32/61/40/991326140.db2.gz JKFWVCXCTVVOBY-UHFFFAOYSA-N 2 2 408.974 3.811 20 0 HHADLP Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466157902 991345290 /nfs/dbraw/zinc/34/52/90/991345290.db2.gz OOEYGAVVFUSOGY-VXKWHMMOSA-N 2 2 412.622 3.833 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccco2)C2CCCC2)([NH+]2CCCCC2)CC1 ZINC000466158535 991346391 /nfs/dbraw/zinc/34/63/91/991346391.db2.gz QYBDVWZUMNQOKQ-UHFFFAOYSA-N 2 2 402.583 3.684 20 0 HHADLP CCC[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000466358727 991627130 /nfs/dbraw/zinc/62/71/30/991627130.db2.gz YIJFWVHXULJZJN-IBGZPJMESA-N 2 2 408.384 3.577 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000467125792 992441756 /nfs/dbraw/zinc/44/17/56/992441756.db2.gz BIBKCEMBNSWVNP-QFIPXVFZSA-N 2 2 406.555 3.825 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467209534 992534104 /nfs/dbraw/zinc/53/41/04/992534104.db2.gz XHBMMDTYNNTBDD-HNNXBMFYSA-N 2 2 414.377 3.897 20 0 HHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000467374794 992691611 /nfs/dbraw/zinc/69/16/11/992691611.db2.gz AURQTRCHXMNIQH-GGAORHGYSA-N 2 2 409.574 3.917 20 0 HHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000467412951 992716756 /nfs/dbraw/zinc/71/67/56/992716756.db2.gz UZOTXVJZJRHNHJ-OAQYLSRUSA-N 2 2 414.571 3.733 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000467751568 992997729 /nfs/dbraw/zinc/99/77/29/992997729.db2.gz HHWYWPFLCLYIKU-YADHBBJMSA-N 2 2 403.954 3.764 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000467751568 992997736 /nfs/dbraw/zinc/99/77/36/992997736.db2.gz HHWYWPFLCLYIKU-YADHBBJMSA-N 2 2 403.954 3.764 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287472 993303877 /nfs/dbraw/zinc/30/38/77/993303877.db2.gz ZWWHLOHKVVMIHA-HOCLYGCPSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287472 993303888 /nfs/dbraw/zinc/30/38/88/993303888.db2.gz ZWWHLOHKVVMIHA-HOCLYGCPSA-N 2 2 402.366 3.753 20 0 HHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Br)ccc1F ZINC000480733802 993599490 /nfs/dbraw/zinc/59/94/90/993599490.db2.gz PTNNUJLZHHLMQS-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767480 993632351 /nfs/dbraw/zinc/63/23/51/993632351.db2.gz MECHGYBHULVMGE-VGSWGCGISA-N 2 2 401.576 3.619 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767480 993632358 /nfs/dbraw/zinc/63/23/58/993632358.db2.gz MECHGYBHULVMGE-VGSWGCGISA-N 2 2 401.576 3.619 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000480794503 993663889 /nfs/dbraw/zinc/66/38/89/993663889.db2.gz SJVZZQPXSLNKSK-QPPBQGQZSA-N 2 2 412.622 3.646 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1Cl ZINC000480923186 993776172 /nfs/dbraw/zinc/77/61/72/993776172.db2.gz YJZIGOWNTUBORH-KRWDZBQOSA-N 2 2 417.981 3.955 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Cl ZINC000480923186 993776183 /nfs/dbraw/zinc/77/61/83/993776183.db2.gz YJZIGOWNTUBORH-KRWDZBQOSA-N 2 2 417.981 3.955 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481179435 994009826 /nfs/dbraw/zinc/00/98/26/994009826.db2.gz UTMGQRGJYFYTOW-CNNODRBYSA-N 2 2 423.557 3.609 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481179435 994009832 /nfs/dbraw/zinc/00/98/32/994009832.db2.gz UTMGQRGJYFYTOW-CNNODRBYSA-N 2 2 423.557 3.609 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000481181355 994011167 /nfs/dbraw/zinc/01/11/67/994011167.db2.gz VSVBQUZBDDNPRN-VNHKHXMHSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000481181355 994011177 /nfs/dbraw/zinc/01/11/77/994011177.db2.gz VSVBQUZBDDNPRN-VNHKHXMHSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000481181350 994011720 /nfs/dbraw/zinc/01/17/20/994011720.db2.gz VSVBQUZBDDNPRN-IYRWYFENSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000481181350 994011726 /nfs/dbraw/zinc/01/17/26/994011726.db2.gz VSVBQUZBDDNPRN-IYRWYFENSA-N 2 2 407.558 3.515 20 0 HHADLP COc1ccccc1[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCCCC1 ZINC000481182055 994012140 /nfs/dbraw/zinc/01/21/40/994012140.db2.gz ONWXUNPIJVBYGD-DEOSSOPVSA-N 2 2 408.590 3.871 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481196449 994030441 /nfs/dbraw/zinc/03/04/41/994030441.db2.gz ZEBRKUMTXPDKAB-NVJIOZQYSA-N 2 2 409.574 3.761 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481196449 994030448 /nfs/dbraw/zinc/03/04/48/994030448.db2.gz ZEBRKUMTXPDKAB-NVJIOZQYSA-N 2 2 409.574 3.761 20 0 HHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481209431 994042600 /nfs/dbraw/zinc/04/26/00/994042600.db2.gz UTOAMTXJPQJWFW-QGZVFWFLSA-N 2 2 404.938 3.910 20 0 HHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000481240652 994068976 /nfs/dbraw/zinc/06/89/76/994068976.db2.gz IKUQEVQSLOIFDW-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308323 994125135 /nfs/dbraw/zinc/12/51/35/994125135.db2.gz PRZRHSMHHBYKKU-KOSHJBKYSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308323 994125144 /nfs/dbraw/zinc/12/51/44/994125144.db2.gz PRZRHSMHHBYKKU-KOSHJBKYSA-N 2 2 414.544 3.824 20 0 HHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000481415888 994250065 /nfs/dbraw/zinc/25/00/65/994250065.db2.gz OIOVDFGQPATKPB-IBGZPJMESA-N 2 2 414.546 3.574 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000481462041 994296530 /nfs/dbraw/zinc/29/65/30/994296530.db2.gz HLHRLZLLYMAVPV-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000481462041 994296544 /nfs/dbraw/zinc/29/65/44/994296544.db2.gz HLHRLZLLYMAVPV-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423392 /nfs/dbraw/zinc/42/33/92/994423392.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423399 /nfs/dbraw/zinc/42/33/99/994423399.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423406 /nfs/dbraw/zinc/42/34/06/994423406.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423413 /nfs/dbraw/zinc/42/34/13/994423413.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423422 /nfs/dbraw/zinc/42/34/22/994423422.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 2 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423439 /nfs/dbraw/zinc/42/34/39/994423439.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 2 2 407.602 3.908 20 0 HHADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000481677675 994537520 /nfs/dbraw/zinc/53/75/20/994537520.db2.gz LLMYZXGPTPURCP-SIKLNZKXSA-N 2 2 421.589 3.684 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482020467 994933055 /nfs/dbraw/zinc/93/30/55/994933055.db2.gz YOZKYQSTIMJOSC-PXNSSMCTSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482020467 994933064 /nfs/dbraw/zinc/93/30/64/994933064.db2.gz YOZKYQSTIMJOSC-PXNSSMCTSA-N 2 2 414.619 3.636 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034149 994951827 /nfs/dbraw/zinc/95/18/27/994951827.db2.gz VBTFEXRHQIAAKI-GBXCKJPGSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034149 994951841 /nfs/dbraw/zinc/95/18/41/994951841.db2.gz VBTFEXRHQIAAKI-GBXCKJPGSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035953 994954010 /nfs/dbraw/zinc/95/40/10/994954010.db2.gz VDGVJPGVYPHLPB-QAPCUYQASA-N 2 2 417.541 3.934 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035953 994954022 /nfs/dbraw/zinc/95/40/22/994954022.db2.gz VDGVJPGVYPHLPB-QAPCUYQASA-N 2 2 417.541 3.934 20 0 HHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482043146 994964047 /nfs/dbraw/zinc/96/40/47/994964047.db2.gz OBNUJYSACIPWFW-CVDCTZTESA-N 2 2 409.574 3.956 20 0 HHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000482043146 994964059 /nfs/dbraw/zinc/96/40/59/994964059.db2.gz OBNUJYSACIPWFW-CVDCTZTESA-N 2 2 409.574 3.956 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474037623 995027854 /nfs/dbraw/zinc/02/78/54/995027854.db2.gz XJAUSSRICYWSKQ-LBXVMSDZSA-N 2 2 422.976 3.932 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482144124 995094657 /nfs/dbraw/zinc/09/46/57/995094657.db2.gz QRQLINUXCPGKLC-KRWDZBQOSA-N 2 2 420.907 3.611 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000482144124 995094667 /nfs/dbraw/zinc/09/46/67/995094667.db2.gz QRQLINUXCPGKLC-KRWDZBQOSA-N 2 2 420.907 3.611 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000482144240 995094862 /nfs/dbraw/zinc/09/48/62/995094862.db2.gz PZTGAFQTDJAORI-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000482144240 995094872 /nfs/dbraw/zinc/09/48/72/995094872.db2.gz PZTGAFQTDJAORI-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](C)C1 ZINC000482149366 995100901 /nfs/dbraw/zinc/10/09/01/995100901.db2.gz IYUQTHVXLFJFQT-AVRDEDQJSA-N 2 2 414.569 3.727 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](C)C1 ZINC000482149366 995100907 /nfs/dbraw/zinc/10/09/07/995100907.db2.gz IYUQTHVXLFJFQT-AVRDEDQJSA-N 2 2 414.569 3.727 20 0 HHADLP Cc1ccc(OCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000482367172 995349695 /nfs/dbraw/zinc/34/96/95/995349695.db2.gz NYLMWSSZDCGRSZ-UHFFFAOYSA-N 2 2 422.013 3.874 20 0 HHADLP Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000482552821 995559463 /nfs/dbraw/zinc/55/94/63/995559463.db2.gz KNBVFFILFZNRKY-QZTJIDSGSA-N 2 2 422.552 3.878 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000482627314 995622089 /nfs/dbraw/zinc/62/20/89/995622089.db2.gz GIMHNBAZPXNDSC-WRHNGFHOSA-N 2 2 420.022 3.940 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631887 995625479 /nfs/dbraw/zinc/62/54/79/995625479.db2.gz FBBMLCCCYFCZNV-NHCUHLMSSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631887 995625485 /nfs/dbraw/zinc/62/54/85/995625485.db2.gz FBBMLCCCYFCZNV-NHCUHLMSSA-N 2 2 403.929 3.692 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736387 995715560 /nfs/dbraw/zinc/71/55/60/995715560.db2.gz OUUXEVQQBHSQOA-SMIHKQSGSA-N 2 2 407.558 3.782 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736387 995715565 /nfs/dbraw/zinc/71/55/65/995715565.db2.gz OUUXEVQQBHSQOA-SMIHKQSGSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736387 995715566 /nfs/dbraw/zinc/71/55/66/995715566.db2.gz OUUXEVQQBHSQOA-SMIHKQSGSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736387 995715568 /nfs/dbraw/zinc/71/55/68/995715568.db2.gz OUUXEVQQBHSQOA-SMIHKQSGSA-N 2 2 407.558 3.782 20 0 HHADLP CCOC(=O)C1(C)CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000474807437 995718310 /nfs/dbraw/zinc/71/83/10/995718310.db2.gz JCWZWBWCGIMJRI-YGWXTMFKSA-N 2 2 402.579 3.988 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000474945670 995817188 /nfs/dbraw/zinc/81/71/88/995817188.db2.gz KYMSQTUQQIULGE-UHFFFAOYSA-N 2 2 400.473 3.781 20 0 HHADLP COc1cccc(C=C2CC[NH+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000475041551 995887648 /nfs/dbraw/zinc/88/76/48/995887648.db2.gz YXPCKIQAEXUIQM-DEOSSOPVSA-N 2 2 407.558 3.594 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000483119893 995987405 /nfs/dbraw/zinc/98/74/05/995987405.db2.gz NJCQXLWJDNPTPT-IBGZPJMESA-N 2 2 424.570 3.898 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475333383 996074773 /nfs/dbraw/zinc/07/47/73/996074773.db2.gz IPWIEBXZIUOIEW-NLNFPOJYSA-N 2 2 401.448 3.938 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475352173 996084592 /nfs/dbraw/zinc/08/45/92/996084592.db2.gz SOIQCPBFXDPTBW-RWBZWWBESA-N 2 2 413.484 3.807 20 0 HHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475356281 996087455 /nfs/dbraw/zinc/08/74/55/996087455.db2.gz XXYIYBLYANPRDA-ODIFPOPNSA-N 2 2 413.484 3.807 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000475428035 996131815 /nfs/dbraw/zinc/13/18/15/996131815.db2.gz JHYUSYFBZRYZQW-OAHLLOKOSA-N 2 2 418.513 3.713 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000475428035 996131819 /nfs/dbraw/zinc/13/18/19/996131819.db2.gz JHYUSYFBZRYZQW-OAHLLOKOSA-N 2 2 418.513 3.713 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475690 996204370 /nfs/dbraw/zinc/20/43/70/996204370.db2.gz OMMMMXPDQLJBBC-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475690 996204377 /nfs/dbraw/zinc/20/43/77/996204377.db2.gz OMMMMXPDQLJBBC-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475690 996204381 /nfs/dbraw/zinc/20/43/81/996204381.db2.gz OMMMMXPDQLJBBC-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@H]21 ZINC000483475690 996204386 /nfs/dbraw/zinc/20/43/86/996204386.db2.gz OMMMMXPDQLJBBC-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481342 996208170 /nfs/dbraw/zinc/20/81/70/996208170.db2.gz XUXAFEXEFFMZNP-GSLIJJQTSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481342 996208178 /nfs/dbraw/zinc/20/81/78/996208178.db2.gz XUXAFEXEFFMZNP-GSLIJJQTSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483481342 996208183 /nfs/dbraw/zinc/20/81/83/996208183.db2.gz XUXAFEXEFFMZNP-GSLIJJQTSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483481342 996208189 /nfs/dbraw/zinc/20/81/89/996208189.db2.gz XUXAFEXEFFMZNP-GSLIJJQTSA-N 2 2 422.569 3.615 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722540 996349720 /nfs/dbraw/zinc/34/97/20/996349720.db2.gz HTKVRMFNMVGOIH-LUQKVYGDSA-N 2 2 422.616 3.894 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722540 996349726 /nfs/dbraw/zinc/34/97/26/996349726.db2.gz HTKVRMFNMVGOIH-LUQKVYGDSA-N 2 2 422.616 3.894 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000484092694 996566059 /nfs/dbraw/zinc/56/60/59/996566059.db2.gz IQSDBDHETJXBBQ-UHFFFAOYSA-N 2 2 400.526 3.982 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000476052406 996568942 /nfs/dbraw/zinc/56/89/42/996568942.db2.gz RVKFXCICAOQNML-RDJZCZTQSA-N 2 2 404.505 3.736 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000476052406 996568949 /nfs/dbraw/zinc/56/89/49/996568949.db2.gz RVKFXCICAOQNML-RDJZCZTQSA-N 2 2 404.505 3.736 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125842 996584101 /nfs/dbraw/zinc/58/41/01/996584101.db2.gz CNGFXYOZUNEOBM-SNYIIPAISA-N 2 2 422.573 3.504 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000484125842 996584104 /nfs/dbraw/zinc/58/41/04/996584104.db2.gz CNGFXYOZUNEOBM-SNYIIPAISA-N 2 2 422.573 3.504 20 0 HHADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1 ZINC000484128151 996585716 /nfs/dbraw/zinc/58/57/16/996585716.db2.gz IBJGPWBWYLKRCB-RTBURBONSA-N 2 2 415.603 3.909 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000476085642 996586000 /nfs/dbraw/zinc/58/60/00/996586000.db2.gz LYZWNNSXRMQRTQ-INIZCTEOSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000476085642 996586006 /nfs/dbraw/zinc/58/60/06/996586006.db2.gz LYZWNNSXRMQRTQ-INIZCTEOSA-N 2 2 412.484 3.746 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000484141405 996594574 /nfs/dbraw/zinc/59/45/74/996594574.db2.gz IRTWMVXTLLEBSO-IIBYNOLFSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000484141405 996594580 /nfs/dbraw/zinc/59/45/80/996594580.db2.gz IRTWMVXTLLEBSO-IIBYNOLFSA-N 2 2 419.363 3.745 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484180519 996620279 /nfs/dbraw/zinc/62/02/79/996620279.db2.gz RZBGKPFQLMELAY-HXOBKFHXSA-N 2 2 408.571 3.801 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484180519 996620282 /nfs/dbraw/zinc/62/02/82/996620282.db2.gz RZBGKPFQLMELAY-HXOBKFHXSA-N 2 2 408.571 3.801 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000476176792 996656877 /nfs/dbraw/zinc/65/68/77/996656877.db2.gz ZFPBQNCKOJHFGK-GQIGUUNPSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000476176792 996656881 /nfs/dbraw/zinc/65/68/81/996656881.db2.gz ZFPBQNCKOJHFGK-GQIGUUNPSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000476176792 996656883 /nfs/dbraw/zinc/65/68/83/996656883.db2.gz ZFPBQNCKOJHFGK-GQIGUUNPSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CC2 ZINC000476176792 996656887 /nfs/dbraw/zinc/65/68/87/996656887.db2.gz ZFPBQNCKOJHFGK-GQIGUUNPSA-N 2 2 400.592 3.899 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000484276474 996674118 /nfs/dbraw/zinc/67/41/18/996674118.db2.gz PJYGBOVGPUIUDX-LQWHRVPQSA-N 2 2 416.587 3.802 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000484276474 996674122 /nfs/dbraw/zinc/67/41/22/996674122.db2.gz PJYGBOVGPUIUDX-LQWHRVPQSA-N 2 2 416.587 3.802 20 0 HHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476312086 996747893 /nfs/dbraw/zinc/74/78/93/996747893.db2.gz RNROFOBNEXRMON-HNNXBMFYSA-N 2 2 402.505 3.761 20 0 HHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476312086 996747895 /nfs/dbraw/zinc/74/78/95/996747895.db2.gz RNROFOBNEXRMON-HNNXBMFYSA-N 2 2 402.505 3.761 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000476314638 996751530 /nfs/dbraw/zinc/75/15/30/996751530.db2.gz NYERURBNGFZNAZ-CMKODMSKSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000476314638 996751535 /nfs/dbraw/zinc/75/15/35/996751535.db2.gz NYERURBNGFZNAZ-CMKODMSKSA-N 2 2 408.590 3.911 20 0 HHADLP Cc1nc(-c2ccccc2C)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476388637 996835986 /nfs/dbraw/zinc/83/59/86/996835986.db2.gz LMEVCESCQCOMRB-UHFFFAOYSA-N 2 2 412.603 3.715 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004026 997367551 /nfs/dbraw/zinc/36/75/51/997367551.db2.gz UKPDHVJJGHUASU-IWFBPKFRSA-N 2 2 402.583 3.632 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004026 997367564 /nfs/dbraw/zinc/36/75/64/997367564.db2.gz UKPDHVJJGHUASU-IWFBPKFRSA-N 2 2 402.583 3.632 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301005 997706086 /nfs/dbraw/zinc/70/60/86/997706086.db2.gz GUCBZQKIQIANRM-OFNKIYASSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301005 997706092 /nfs/dbraw/zinc/70/60/92/997706092.db2.gz GUCBZQKIQIANRM-OFNKIYASSA-N 2 2 423.605 3.959 20 0 HHADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226516 997900459 /nfs/dbraw/zinc/90/04/59/997900459.db2.gz YFAJWAUPZOPUOU-OALUTQOASA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226516 997900476 /nfs/dbraw/zinc/90/04/76/997900476.db2.gz YFAJWAUPZOPUOU-OALUTQOASA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226516 997900486 /nfs/dbraw/zinc/90/04/86/997900486.db2.gz YFAJWAUPZOPUOU-OALUTQOASA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226516 997900496 /nfs/dbraw/zinc/90/04/96/997900496.db2.gz YFAJWAUPZOPUOU-OALUTQOASA-N 2 2 422.976 3.760 20 0 HHADLP O=C(C[NH2+]C1(c2ccccc2)CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000477636143 998353352 /nfs/dbraw/zinc/35/33/52/998353352.db2.gz MPQSITUOPQYAHQ-UHFFFAOYSA-N 2 2 407.558 3.907 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486161151 998610405 /nfs/dbraw/zinc/61/04/05/998610405.db2.gz WNRYEZWFIZGCKG-SLFFLAALSA-N 2 2 418.651 3.667 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486161151 998610409 /nfs/dbraw/zinc/61/04/09/998610409.db2.gz WNRYEZWFIZGCKG-SLFFLAALSA-N 2 2 418.651 3.667 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486243629 998671513 /nfs/dbraw/zinc/67/15/13/998671513.db2.gz JTEVSGWCHWORNI-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486243629 998671518 /nfs/dbraw/zinc/67/15/18/998671518.db2.gz JTEVSGWCHWORNI-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046267 998733247 /nfs/dbraw/zinc/73/32/47/998733247.db2.gz LQVJMBBANUGTEC-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046267 998733253 /nfs/dbraw/zinc/73/32/53/998733253.db2.gz LQVJMBBANUGTEC-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046267 998733259 /nfs/dbraw/zinc/73/32/59/998733259.db2.gz LQVJMBBANUGTEC-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046267 998733263 /nfs/dbraw/zinc/73/32/63/998733263.db2.gz LQVJMBBANUGTEC-PZJWPPBQSA-N 2 2 411.590 3.859 20 0 HHADLP CC[C@H]1C[N@H+](CCNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CCO1 ZINC000486770591 998932880 /nfs/dbraw/zinc/93/28/80/998932880.db2.gz RQDLXNBQNRGNJC-NRFANRHFSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CCO1 ZINC000486770591 998932888 /nfs/dbraw/zinc/93/28/88/998932888.db2.gz RQDLXNBQNRGNJC-NRFANRHFSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@H]1C[NH+](CCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CCO1 ZINC000486770591 998932890 /nfs/dbraw/zinc/93/28/90/998932890.db2.gz RQDLXNBQNRGNJC-NRFANRHFSA-N 2 2 402.583 3.683 20 0 HHADLP CC[C@H]1C[NH+](CCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CCO1 ZINC000486770591 998932894 /nfs/dbraw/zinc/93/28/94/998932894.db2.gz RQDLXNBQNRGNJC-NRFANRHFSA-N 2 2 402.583 3.683 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486981879 999026535 /nfs/dbraw/zinc/02/65/35/999026535.db2.gz SVHBVESXSSLMHR-HOTGVXAUSA-N 2 2 405.384 3.950 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486981880 999026614 /nfs/dbraw/zinc/02/66/14/999026614.db2.gz SVHBVESXSSLMHR-HZPDHXFCSA-N 2 2 405.384 3.950 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487080708 999057419 /nfs/dbraw/zinc/05/74/19/999057419.db2.gz YSEPZUPEYKLYQI-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487080708 999057426 /nfs/dbraw/zinc/05/74/26/999057426.db2.gz YSEPZUPEYKLYQI-SIKLNZKXSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487080709 999057637 /nfs/dbraw/zinc/05/76/37/999057637.db2.gz YSEPZUPEYKLYQI-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487080709 999057649 /nfs/dbraw/zinc/05/76/49/999057649.db2.gz YSEPZUPEYKLYQI-UGKGYDQZSA-N 2 2 403.530 3.582 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000487635085 999237183 /nfs/dbraw/zinc/23/71/83/999237183.db2.gz FGPSGRMECIEJRY-UHFFFAOYSA-N 2 2 407.986 3.759 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000487635085 999237184 /nfs/dbraw/zinc/23/71/84/999237184.db2.gz FGPSGRMECIEJRY-UHFFFAOYSA-N 2 2 407.986 3.759 20 0 HHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000488350135 999452619 /nfs/dbraw/zinc/45/26/19/999452619.db2.gz YWRMNXOJOHBYAG-UHFFFAOYSA-N 2 2 418.582 3.865 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479770484 999582583 /nfs/dbraw/zinc/58/25/83/999582583.db2.gz FAEZWAJUJRSYBX-FCHUYYIVSA-N 2 2 420.548 3.806 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479770484 999582587 /nfs/dbraw/zinc/58/25/87/999582587.db2.gz FAEZWAJUJRSYBX-FCHUYYIVSA-N 2 2 420.548 3.806 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786667 999592461 /nfs/dbraw/zinc/59/24/61/999592461.db2.gz SUGPKQAAEBNQLR-RTWAWAEBSA-N 2 2 408.537 3.521 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786667 999592464 /nfs/dbraw/zinc/59/24/64/999592464.db2.gz SUGPKQAAEBNQLR-RTWAWAEBSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787692 999592749 /nfs/dbraw/zinc/59/27/49/999592749.db2.gz WRLJDCAOTDMETB-HBGVWJBISA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787692 999592759 /nfs/dbraw/zinc/59/27/59/999592759.db2.gz WRLJDCAOTDMETB-HBGVWJBISA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787692 999592767 /nfs/dbraw/zinc/59/27/67/999592767.db2.gz WRLJDCAOTDMETB-HBGVWJBISA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787692 999592772 /nfs/dbraw/zinc/59/27/72/999592772.db2.gz WRLJDCAOTDMETB-HBGVWJBISA-N 2 2 408.537 3.664 20 0 HHADLP CN(C(=O)[C@@H]1COc2ccc(Cl)cc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488784422 999606689 /nfs/dbraw/zinc/60/66/89/999606689.db2.gz LNPPVCFGWSSROX-NJYVYQBISA-N 2 2 419.997 3.612 20 0 HHADLP CN(C(=O)[C@@H]1COc2ccc(Cl)cc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488784422 999606692 /nfs/dbraw/zinc/60/66/92/999606692.db2.gz LNPPVCFGWSSROX-NJYVYQBISA-N 2 2 419.997 3.612 20 0 HHADLP COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952031 999661014 /nfs/dbraw/zinc/66/10/14/999661014.db2.gz WBFBZLWQBUXEJI-HYBUGGRVSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952031 999661015 /nfs/dbraw/zinc/66/10/15/999661015.db2.gz WBFBZLWQBUXEJI-HYBUGGRVSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952031 999661016 /nfs/dbraw/zinc/66/10/16/999661016.db2.gz WBFBZLWQBUXEJI-HYBUGGRVSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952031 999661017 /nfs/dbraw/zinc/66/10/17/999661017.db2.gz WBFBZLWQBUXEJI-HYBUGGRVSA-N 2 2 419.569 3.564 20 0 HHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254697 999731237 /nfs/dbraw/zinc/73/12/37/999731237.db2.gz KRSWCEPNKVGPNU-PSWAGMNNSA-N 4 2 410.650 3.522 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489254697 999731238 /nfs/dbraw/zinc/73/12/38/999731238.db2.gz KRSWCEPNKVGPNU-PSWAGMNNSA-N 4 2 410.650 3.522 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254697 999731239 /nfs/dbraw/zinc/73/12/39/999731239.db2.gz KRSWCEPNKVGPNU-PSWAGMNNSA-N 4 2 410.650 3.522 20 0 HHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254697 999731240 /nfs/dbraw/zinc/73/12/40/999731240.db2.gz KRSWCEPNKVGPNU-PSWAGMNNSA-N 4 2 410.650 3.522 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c2ccccc21 ZINC000489274005 999734721 /nfs/dbraw/zinc/73/47/21/999734721.db2.gz BZTBWINOTDCXFY-KRWDZBQOSA-N 2 2 412.553 3.898 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000489289644 999738121 /nfs/dbraw/zinc/73/81/21/999738121.db2.gz IKHFSYHCEVDJEA-IBGZPJMESA-N 2 2 412.553 3.806 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000489289644 999738123 /nfs/dbraw/zinc/73/81/23/999738123.db2.gz IKHFSYHCEVDJEA-IBGZPJMESA-N 2 2 412.553 3.806 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000489366189 999752808 /nfs/dbraw/zinc/75/28/08/999752808.db2.gz TVSZULKGWUILEK-LJQANCHMSA-N 2 2 412.553 3.506 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000489366189 999752811 /nfs/dbraw/zinc/75/28/11/999752811.db2.gz TVSZULKGWUILEK-LJQANCHMSA-N 2 2 412.553 3.506 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000489421144 999763734 /nfs/dbraw/zinc/76/37/34/999763734.db2.gz IIPNIOHWWWOIRM-INIZCTEOSA-N 2 2 401.580 3.720 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000489421144 999763737 /nfs/dbraw/zinc/76/37/37/999763737.db2.gz IIPNIOHWWWOIRM-INIZCTEOSA-N 2 2 401.580 3.720 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424789 999764676 /nfs/dbraw/zinc/76/46/76/999764676.db2.gz KRSOJWQCIPITPK-AVRDEDQJSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424789 999764678 /nfs/dbraw/zinc/76/46/78/999764678.db2.gz KRSOJWQCIPITPK-AVRDEDQJSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480356940 999779013 /nfs/dbraw/zinc/77/90/13/999779013.db2.gz VNGTUVQZTSGMJL-SLFFLAALSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480356940 999779014 /nfs/dbraw/zinc/77/90/14/999779014.db2.gz VNGTUVQZTSGMJL-SLFFLAALSA-N 2 2 402.583 3.682 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000489559811 999792289 /nfs/dbraw/zinc/79/22/89/999792289.db2.gz QGRZLDFOUONPIF-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP Brc1cccc2c(N3CCC(CC[NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000480479540 999808306 /nfs/dbraw/zinc/80/83/06/999808306.db2.gz HFFOGZMWEKQLNN-UHFFFAOYSA-N 2 2 404.352 3.936 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4ccc(Cl)cc43)cc2)CC1 ZINC000480613359 999841484 /nfs/dbraw/zinc/84/14/84/999841484.db2.gz JGWSRIWRKPRLHK-OAQYLSRUSA-N 2 2 413.949 3.731 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000489854557 999849778 /nfs/dbraw/zinc/84/97/78/999849778.db2.gz NEYDOWXGCKXPQF-NQIIRXRSSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000489854557 999849780 /nfs/dbraw/zinc/84/97/80/999849780.db2.gz NEYDOWXGCKXPQF-NQIIRXRSSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000489854556 999849833 /nfs/dbraw/zinc/84/98/33/999849833.db2.gz NEYDOWXGCKXPQF-GHTZIAJQSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000489854556 999849834 /nfs/dbraw/zinc/84/98/34/999849834.db2.gz NEYDOWXGCKXPQF-GHTZIAJQSA-N 2 2 410.562 3.759 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237150 999918138 /nfs/dbraw/zinc/91/81/38/999918138.db2.gz BYWHXVYBAQXVMT-PZJWPPBQSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237150 999918140 /nfs/dbraw/zinc/91/81/40/999918140.db2.gz BYWHXVYBAQXVMT-PZJWPPBQSA-N 2 2 422.598 3.903 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000491026896 1000035836 /nfs/dbraw/zinc/03/58/36/1000035836.db2.gz ZMFVZZLKOJYNCI-IIBYNOLFSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000491026936 1000035915 /nfs/dbraw/zinc/03/59/15/1000035915.db2.gz ZTWLUDVEEIULKY-IIBYNOLFSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000491032854 1000036992 /nfs/dbraw/zinc/03/69/92/1000036992.db2.gz PIJJCHRTYHOQGK-LAUBAEHRSA-N 2 2 402.380 3.764 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061702 1000041089 /nfs/dbraw/zinc/04/10/89/1000041089.db2.gz NYCHCTOUGGGYJI-SFTDATJTSA-N 2 2 410.606 3.803 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061702 1000041092 /nfs/dbraw/zinc/04/10/92/1000041092.db2.gz NYCHCTOUGGGYJI-SFTDATJTSA-N 2 2 410.606 3.803 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(C)c1 ZINC000491357779 1000068039 /nfs/dbraw/zinc/06/80/39/1000068039.db2.gz BROLDCQRYOGHJU-NRFANRHFSA-N 2 2 421.549 3.526 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491857313 1000098065 /nfs/dbraw/zinc/09/80/65/1000098065.db2.gz SZZVEGWNJZXCSQ-GHTZIAJQSA-N 2 2 404.518 3.501 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491857313 1000098066 /nfs/dbraw/zinc/09/80/66/1000098066.db2.gz SZZVEGWNJZXCSQ-GHTZIAJQSA-N 2 2 404.518 3.501 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1)[NH+]1CCOCC1 ZINC000492153437 1000112125 /nfs/dbraw/zinc/11/21/25/1000112125.db2.gz BFRCWLFFMXSKIU-IBGZPJMESA-N 2 2 402.583 3.666 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1cccs1 ZINC000492162197 1000112694 /nfs/dbraw/zinc/11/26/94/1000112694.db2.gz VDYOSUMGOAQMKV-XLIONFOSSA-N 2 2 410.547 3.593 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1cccs1 ZINC000492162197 1000112696 /nfs/dbraw/zinc/11/26/96/1000112696.db2.gz VDYOSUMGOAQMKV-XLIONFOSSA-N 2 2 410.547 3.593 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210846 1000115628 /nfs/dbraw/zinc/11/56/28/1000115628.db2.gz OQFLAPBPHBDDMG-UKILVPOCSA-N 2 2 414.553 3.658 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210846 1000115630 /nfs/dbraw/zinc/11/56/30/1000115630.db2.gz OQFLAPBPHBDDMG-UKILVPOCSA-N 2 2 414.553 3.658 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(OC)c1 ZINC000492250383 1000117858 /nfs/dbraw/zinc/11/78/58/1000117858.db2.gz GKDNXTQTWJZMSS-OAQYLSRUSA-N 2 2 422.533 3.540 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335974 /nfs/dbraw/zinc/33/59/74/1000335974.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335980 /nfs/dbraw/zinc/33/59/80/1000335980.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335986 /nfs/dbraw/zinc/33/59/86/1000335986.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494162990 1000335994 /nfs/dbraw/zinc/33/59/94/1000335994.db2.gz HYONRNASEGKZPF-GGAORHGYSA-N 2 2 401.501 3.737 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494436150 1000490926 /nfs/dbraw/zinc/49/09/26/1000490926.db2.gz PICYPFPROGFZGN-YMPZKCBVSA-N 2 2 407.562 3.675 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494436150 1000490931 /nfs/dbraw/zinc/49/09/31/1000490931.db2.gz PICYPFPROGFZGN-YMPZKCBVSA-N 2 2 407.562 3.675 20 0 HHADLP Cc1c(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000494437739 1000491554 /nfs/dbraw/zinc/49/15/54/1000491554.db2.gz UHFPFKBZLSOJBA-VWLOTQADSA-N 2 2 404.558 3.629 20 0 HHADLP Cc1c(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000494437739 1000491555 /nfs/dbraw/zinc/49/15/55/1000491555.db2.gz UHFPFKBZLSOJBA-VWLOTQADSA-N 2 2 404.558 3.629 20 0 HHADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151490 1000580940 /nfs/dbraw/zinc/58/09/40/1000580940.db2.gz QGNNBDHWVCPRKV-LJQANCHMSA-N 2 2 401.514 3.800 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333516 1000708175 /nfs/dbraw/zinc/70/81/75/1000708175.db2.gz NUGKPJZWFUZDQX-PXNSSMCTSA-N 2 2 422.411 3.776 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333516 1000708179 /nfs/dbraw/zinc/70/81/79/1000708179.db2.gz NUGKPJZWFUZDQX-PXNSSMCTSA-N 2 2 422.411 3.776 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505369800 1000729543 /nfs/dbraw/zinc/72/95/43/1000729543.db2.gz DFVQBIGWDLDHOS-QRVBRYPASA-N 2 2 408.384 3.575 20 0 HHADLP Cc1noc(C2CCC([NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000494926695 1000733566 /nfs/dbraw/zinc/73/35/66/1000733566.db2.gz YSDUAPIUSDJVCT-UHFFFAOYSA-N 2 2 411.594 3.592 20 0 HHADLP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518155 1000860087 /nfs/dbraw/zinc/86/00/87/1000860087.db2.gz ZYNYZWXOAYPQCR-OHUGHZGNSA-N 2 2 421.585 3.645 20 0 HHADLP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518155 1000860107 /nfs/dbraw/zinc/86/01/07/1000860107.db2.gz ZYNYZWXOAYPQCR-OHUGHZGNSA-N 2 2 421.585 3.645 20 0 HHADLP O=C1[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000495186837 1000906912 /nfs/dbraw/zinc/90/69/12/1000906912.db2.gz XJEWWYQSPKQAEH-SFHVURJKSA-N 2 2 405.329 3.752 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)cc[nH+]1 ZINC000505590710 1000924107 /nfs/dbraw/zinc/92/41/07/1000924107.db2.gz JIZCGLCYHDEIQK-HXOBKFHXSA-N 2 2 403.530 3.818 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000505951710 1001123393 /nfs/dbraw/zinc/12/33/93/1001123393.db2.gz ZCFCZFPEAHSTFT-UHFFFAOYSA-N 2 2 415.541 3.679 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cn2c1 ZINC000506090158 1001214309 /nfs/dbraw/zinc/21/43/09/1001214309.db2.gz SBQQBIDGDDIYRR-VQTJNVASSA-N 2 2 414.619 3.989 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cn2c1 ZINC000506090158 1001214314 /nfs/dbraw/zinc/21/43/14/1001214314.db2.gz SBQQBIDGDDIYRR-VQTJNVASSA-N 2 2 414.619 3.989 20 0 HHADLP CN(c1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000497093825 1001269189 /nfs/dbraw/zinc/26/91/89/1001269189.db2.gz CFASLJDCJDSLPQ-UHFFFAOYSA-N 2 2 415.585 3.961 20 0 HHADLP CN(c1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000497093825 1001269191 /nfs/dbraw/zinc/26/91/91/1001269191.db2.gz CFASLJDCJDSLPQ-UHFFFAOYSA-N 2 2 415.585 3.961 20 0 HHADLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 ZINC000506202082 1001275783 /nfs/dbraw/zinc/27/57/83/1001275783.db2.gz AYMTUHNUKDKRHS-GOSISDBHSA-N 2 2 408.384 3.635 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497466501 1001381743 /nfs/dbraw/zinc/38/17/43/1001381743.db2.gz HNRDESVEFNRWCC-VXKWHMMOSA-N 2 2 408.452 3.701 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497466501 1001381750 /nfs/dbraw/zinc/38/17/50/1001381750.db2.gz HNRDESVEFNRWCC-VXKWHMMOSA-N 2 2 408.452 3.701 20 0 HHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000506566834 1001460725 /nfs/dbraw/zinc/46/07/25/1001460725.db2.gz AXONPGYBAMYSDJ-MRXNPFEDSA-N 2 2 419.495 3.973 20 0 HHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000506566834 1001460728 /nfs/dbraw/zinc/46/07/28/1001460728.db2.gz AXONPGYBAMYSDJ-MRXNPFEDSA-N 2 2 419.495 3.973 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000506668162 1001488219 /nfs/dbraw/zinc/48/82/19/1001488219.db2.gz GMAYOYDKMNXIGX-HSZRJFAPSA-N 2 2 400.611 3.975 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000506668162 1001488221 /nfs/dbraw/zinc/48/82/21/1001488221.db2.gz GMAYOYDKMNXIGX-HSZRJFAPSA-N 2 2 400.611 3.975 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915089 1001591686 /nfs/dbraw/zinc/59/16/86/1001591686.db2.gz IKXFDKPKYFJQRO-NZQKXSOJSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915089 1001591688 /nfs/dbraw/zinc/59/16/88/1001591688.db2.gz IKXFDKPKYFJQRO-NZQKXSOJSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922327 1001594985 /nfs/dbraw/zinc/59/49/85/1001594985.db2.gz OEYAYRUWMPMIFY-SFTDATJTSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922327 1001594989 /nfs/dbraw/zinc/59/49/89/1001594989.db2.gz OEYAYRUWMPMIFY-SFTDATJTSA-N 2 2 409.578 3.727 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507092126 1001802032 /nfs/dbraw/zinc/80/20/32/1001802032.db2.gz ZSXAZKRQIQXIEU-JOCHJYFZSA-N 2 2 421.589 3.904 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113342 1001817097 /nfs/dbraw/zinc/81/70/97/1001817097.db2.gz QELMVQZGVNZQTN-NJDAHSKKSA-N 2 2 415.626 3.867 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000507230614 1001917513 /nfs/dbraw/zinc/91/75/13/1001917513.db2.gz OOSZWBKIRMIOOV-XVLXNVKGSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000507230614 1001917508 /nfs/dbraw/zinc/91/75/08/1001917508.db2.gz OOSZWBKIRMIOOV-XVLXNVKGSA-N 2 2 408.384 3.573 20 0 HHADLP Cc1ccccc1[C@@]1(F)CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000507594436 1002201072 /nfs/dbraw/zinc/20/10/72/1002201072.db2.gz AAESSOLYZJOPQY-XMMPIXPASA-N 2 2 416.585 3.525 20 0 HHADLP Cn1ccnc1[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1 ZINC000507886362 1002418592 /nfs/dbraw/zinc/41/85/92/1002418592.db2.gz BUSQVYVXYWGMST-JOCHJYFZSA-N 2 2 408.525 3.686 20 0 HHADLP CC(C)(C)c1nc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 ZINC000507905052 1002440644 /nfs/dbraw/zinc/44/06/44/1002440644.db2.gz SBMLNVAMZDSVEH-UHFFFAOYSA-N 2 2 406.640 3.645 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000508509346 1002991742 /nfs/dbraw/zinc/99/17/42/1002991742.db2.gz IQQOVZOEJYIYHR-UHFFFAOYSA-N 2 2 409.574 3.681 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000508509346 1002991734 /nfs/dbraw/zinc/99/17/34/1002991734.db2.gz IQQOVZOEJYIYHR-UHFFFAOYSA-N 2 2 409.574 3.681 20 0 HHADLP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508617785 1003071621 /nfs/dbraw/zinc/07/16/21/1003071621.db2.gz ZINOXKIVJSWDNV-JBYIUTFZSA-N 2 2 422.013 3.554 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000499760058 1003099362 /nfs/dbraw/zinc/09/93/62/1003099362.db2.gz MALJXFXLKZSRAG-RTWAWAEBSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000499760058 1003099372 /nfs/dbraw/zinc/09/93/72/1003099372.db2.gz MALJXFXLKZSRAG-RTWAWAEBSA-N 2 2 421.589 3.663 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508679004 1003117268 /nfs/dbraw/zinc/11/72/68/1003117268.db2.gz PDNVMCLTCKIUEK-HNNXBMFYSA-N 2 2 420.351 3.799 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508679004 1003117290 /nfs/dbraw/zinc/11/72/90/1003117290.db2.gz PDNVMCLTCKIUEK-HNNXBMFYSA-N 2 2 420.351 3.799 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898653 1003330780 /nfs/dbraw/zinc/33/07/80/1003330780.db2.gz QWBCGJURJVETQJ-CZTZKLFOSA-N 2 2 409.578 3.800 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000508989964 1003461810 /nfs/dbraw/zinc/46/18/10/1003461810.db2.gz GAIQBXJLGTWVJV-HXUWFJFHSA-N 2 2 421.589 3.833 20 0 HHADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000500477529 1003738519 /nfs/dbraw/zinc/73/85/19/1003738519.db2.gz XVGFEJIVPXJLPX-UHFFFAOYSA-N 2 2 403.954 3.659 20 0 HHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000500477432 1003738818 /nfs/dbraw/zinc/73/88/18/1003738818.db2.gz VTXRJWIUSNLJNY-UHFFFAOYSA-N 2 2 413.953 3.933 20 0 HHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830915 1003803267 /nfs/dbraw/zinc/80/32/67/1003803267.db2.gz FBSIKYSLNUGTOO-UXHICEINSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830915 1003803284 /nfs/dbraw/zinc/80/32/84/1003803284.db2.gz FBSIKYSLNUGTOO-UXHICEINSA-N 2 2 405.464 3.699 20 0 HHADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832946 1003808895 /nfs/dbraw/zinc/80/88/95/1003808895.db2.gz RTYBVODIPACXNH-FQEVSTJZSA-N 2 2 405.464 3.528 20 0 HHADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832946 1003808882 /nfs/dbraw/zinc/80/88/82/1003808882.db2.gz RTYBVODIPACXNH-FQEVSTJZSA-N 2 2 405.464 3.528 20 0 HHADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832946 1003808907 /nfs/dbraw/zinc/80/89/07/1003808907.db2.gz RTYBVODIPACXNH-FQEVSTJZSA-N 2 2 405.464 3.528 20 0 HHADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832946 1003808917 /nfs/dbraw/zinc/80/89/17/1003808917.db2.gz RTYBVODIPACXNH-FQEVSTJZSA-N 2 2 405.464 3.528 20 0 HHADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509432160 1003857535 /nfs/dbraw/zinc/85/75/35/1003857535.db2.gz PUDNTRIOBGRACO-LJQANCHMSA-N 2 2 405.546 3.738 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000500704161 1003906641 /nfs/dbraw/zinc/90/66/41/1003906641.db2.gz ZMCPITMDZFMAOK-BGYRXZFFSA-N 2 2 423.605 3.739 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000500704161 1003906647 /nfs/dbraw/zinc/90/66/47/1003906647.db2.gz ZMCPITMDZFMAOK-BGYRXZFFSA-N 2 2 423.605 3.739 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(C)(C)c2cccc(Cl)c2F)([NH+]2CCCCC2)CC1 ZINC000500730902 1003925884 /nfs/dbraw/zinc/92/58/84/1003925884.db2.gz PGMGMGGNWJGLGJ-UHFFFAOYSA-N 2 2 409.977 3.823 20 0 HHADLP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000500804280 1003967254 /nfs/dbraw/zinc/96/72/54/1003967254.db2.gz JBGYZWRTLQLPSS-UHFFFAOYSA-N 2 2 422.577 3.525 20 0 HHADLP FC(F)(F)c1c[nH]c(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000509658981 1004010400 /nfs/dbraw/zinc/01/04/00/1004010400.db2.gz UHSLIZHEMVRKEA-UHFFFAOYSA-N 2 2 421.511 3.820 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000512098973 1004022473 /nfs/dbraw/zinc/02/24/73/1004022473.db2.gz LGLOLIYVPDYLIJ-UHFFFAOYSA-N 2 2 404.543 3.742 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128554 1004043800 /nfs/dbraw/zinc/04/38/00/1004043800.db2.gz GUAXVLIZIYDTIZ-UKRRQHHQSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128554 1004043808 /nfs/dbraw/zinc/04/38/08/1004043808.db2.gz GUAXVLIZIYDTIZ-UKRRQHHQSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780436 1004091883 /nfs/dbraw/zinc/09/18/83/1004091883.db2.gz YYWQLZKHOBJOLR-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780436 1004091888 /nfs/dbraw/zinc/09/18/88/1004091888.db2.gz YYWQLZKHOBJOLR-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794659 1004101562 /nfs/dbraw/zinc/10/15/62/1004101562.db2.gz MCHIEGAULJTJJG-ZRCGQRJVSA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794659 1004101571 /nfs/dbraw/zinc/10/15/71/1004101571.db2.gz MCHIEGAULJTJJG-ZRCGQRJVSA-N 2 2 421.589 3.638 20 0 HHADLP C[NH+](C)CC1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000501015379 1004118812 /nfs/dbraw/zinc/11/88/12/1004118812.db2.gz PGGAJBANYZSXKG-LJQANCHMSA-N 2 2 410.965 3.599 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501119051 1004216898 /nfs/dbraw/zinc/21/68/98/1004216898.db2.gz WNAMLVCEQUAXCU-HDICACEKSA-N 2 2 402.970 3.985 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501119051 1004216905 /nfs/dbraw/zinc/21/69/05/1004216905.db2.gz WNAMLVCEQUAXCU-HDICACEKSA-N 2 2 402.970 3.985 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000512424991 1004291282 /nfs/dbraw/zinc/29/12/82/1004291282.db2.gz WDBLOMWAYAKSTN-CEMLEFRQSA-N 2 2 407.562 3.527 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000512424991 1004291292 /nfs/dbraw/zinc/29/12/92/1004291292.db2.gz WDBLOMWAYAKSTN-CEMLEFRQSA-N 2 2 407.562 3.527 20 0 HHADLP CCOC(=O)C(C)(C)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510123641 1004341041 /nfs/dbraw/zinc/34/10/41/1004341041.db2.gz KTKBUQRILPVJTI-UHFFFAOYSA-N 2 2 401.595 3.500 20 0 HHADLP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Br)c1 ZINC000510199827 1004391940 /nfs/dbraw/zinc/39/19/40/1004391940.db2.gz NRQUOSKTJNGYSI-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cn2)CC1 ZINC000510221451 1004405570 /nfs/dbraw/zinc/40/55/70/1004405570.db2.gz INPKJVAKYWCWNG-UHFFFAOYSA-N 2 2 406.361 3.700 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cn2)CC1 ZINC000510221451 1004405576 /nfs/dbraw/zinc/40/55/76/1004405576.db2.gz INPKJVAKYWCWNG-UHFFFAOYSA-N 2 2 406.361 3.700 20 0 HHADLP COc1cccc(C2([NH2+]CC3(C[NH2+]C4(c5cccc(OC)c5)CC4)COC3)CC2)c1 ZINC000510246833 1004422712 /nfs/dbraw/zinc/42/27/12/1004422712.db2.gz YBSUQOVTLUVCDN-UHFFFAOYSA-N 2 2 408.542 3.578 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611229 1004424570 /nfs/dbraw/zinc/42/45/70/1004424570.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611229 1004424575 /nfs/dbraw/zinc/42/45/75/1004424575.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611229 1004424580 /nfs/dbraw/zinc/42/45/80/1004424580.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611229 1004424585 /nfs/dbraw/zinc/42/45/85/1004424585.db2.gz JAYJFOSZKBMCJD-CWTOASCOSA-N 3 2 419.613 3.514 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436234 /nfs/dbraw/zinc/43/62/34/1004436234.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 3 2 419.613 3.909 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436239 /nfs/dbraw/zinc/43/62/39/1004436239.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 3 2 419.613 3.909 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501496035 1004465669 /nfs/dbraw/zinc/46/56/69/1004465669.db2.gz RIIGXQVSIRIJMI-IYWMVGAKSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501496035 1004465672 /nfs/dbraw/zinc/46/56/72/1004465672.db2.gz RIIGXQVSIRIJMI-IYWMVGAKSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328609 1004485135 /nfs/dbraw/zinc/48/51/35/1004485135.db2.gz CUDCRXIQQUBACQ-QZTJIDSGSA-N 2 2 418.557 3.842 20 0 HHADLP C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328609 1004485143 /nfs/dbraw/zinc/48/51/43/1004485143.db2.gz CUDCRXIQQUBACQ-QZTJIDSGSA-N 2 2 418.557 3.842 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000512678633 1004487346 /nfs/dbraw/zinc/48/73/46/1004487346.db2.gz RHCCQQQAHZAXRE-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000512678633 1004487350 /nfs/dbraw/zinc/48/73/50/1004487350.db2.gz RHCCQQQAHZAXRE-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701853 1004505036 /nfs/dbraw/zinc/50/50/36/1004505036.db2.gz WGOHGVLPYNNCNW-NRFANRHFSA-N 2 2 416.573 3.506 20 0 HHADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701853 1004505043 /nfs/dbraw/zinc/50/50/43/1004505043.db2.gz WGOHGVLPYNNCNW-NRFANRHFSA-N 2 2 416.573 3.506 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000501573963 1004528564 /nfs/dbraw/zinc/52/85/64/1004528564.db2.gz ZVNBHZHSPPVEQU-VXNXHJTFSA-N 2 2 414.553 3.538 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000501573963 1004528574 /nfs/dbraw/zinc/52/85/74/1004528574.db2.gz ZVNBHZHSPPVEQU-VXNXHJTFSA-N 2 2 414.553 3.538 20 0 HHADLP CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1C ZINC000510639457 1004770625 /nfs/dbraw/zinc/77/06/25/1004770625.db2.gz DEERJMPXDQLCIK-UHFFFAOYSA-N 2 2 407.518 3.699 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N[C@H](C)C[NH+]3CCCCC3)c2c1C ZINC000513155962 1004835996 /nfs/dbraw/zinc/83/59/96/1004835996.db2.gz RRIYKZLRKAAXKM-CQSZACIVSA-N 2 2 419.595 3.524 20 0 HHADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513328606 1004914068 /nfs/dbraw/zinc/91/40/68/1004914068.db2.gz BKHODERWUFUFJO-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513328606 1004914071 /nfs/dbraw/zinc/91/40/71/1004914071.db2.gz BKHODERWUFUFJO-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000513461436 1004977222 /nfs/dbraw/zinc/97/72/22/1004977222.db2.gz MPTGMLLLASGYAM-LJQANCHMSA-N 2 2 410.002 3.739 20 0 HHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000513461436 1004977226 /nfs/dbraw/zinc/97/72/26/1004977226.db2.gz MPTGMLLLASGYAM-LJQANCHMSA-N 2 2 410.002 3.739 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502299971 1004999918 /nfs/dbraw/zinc/99/99/18/1004999918.db2.gz JQZVZMJOWQVKPJ-HXUWFJFHSA-N 2 2 411.546 3.768 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502299971 1004999923 /nfs/dbraw/zinc/99/99/23/1004999923.db2.gz JQZVZMJOWQVKPJ-HXUWFJFHSA-N 2 2 411.546 3.768 20 0 HHADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(-c2ccccc2Cl)n1 ZINC000513516496 1005000847 /nfs/dbraw/zinc/00/08/47/1005000847.db2.gz XJTJEQGKBGJCMN-UHFFFAOYSA-N 2 2 412.969 3.533 20 0 HHADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(-c2ccccc2Cl)n1 ZINC000513516496 1005000853 /nfs/dbraw/zinc/00/08/53/1005000853.db2.gz XJTJEQGKBGJCMN-UHFFFAOYSA-N 2 2 412.969 3.533 20 0 HHADLP C[N@H+](Cc1ccc(OCc2c(F)cccc2Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000513524533 1005004476 /nfs/dbraw/zinc/00/44/76/1005004476.db2.gz JCTMWJOLYFJCKH-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2c(F)cccc2Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000513524533 1005004485 /nfs/dbraw/zinc/00/44/85/1005004485.db2.gz JCTMWJOLYFJCKH-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000513678592 1005078943 /nfs/dbraw/zinc/07/89/43/1005078943.db2.gz PNEKVMPMJDOSED-QFIPXVFZSA-N 2 2 416.013 3.744 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000513678592 1005078948 /nfs/dbraw/zinc/07/89/48/1005078948.db2.gz PNEKVMPMJDOSED-QFIPXVFZSA-N 2 2 416.013 3.744 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000511300133 1005114865 /nfs/dbraw/zinc/11/48/65/1005114865.db2.gz HKEJTPOOVUGDPL-UHFFFAOYSA-N 2 2 422.617 3.876 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000511300133 1005114873 /nfs/dbraw/zinc/11/48/73/1005114873.db2.gz HKEJTPOOVUGDPL-UHFFFAOYSA-N 2 2 422.617 3.876 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)n2)C1 ZINC000511299936 1005114941 /nfs/dbraw/zinc/11/49/41/1005114941.db2.gz GCCZDQSLYRYXRW-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)n2)C1 ZINC000511299936 1005114945 /nfs/dbraw/zinc/11/49/45/1005114945.db2.gz GCCZDQSLYRYXRW-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502629830 1005149311 /nfs/dbraw/zinc/14/93/11/1005149311.db2.gz ZLUGWWCGVIXRAT-UHFFFAOYSA-N 2 2 413.610 3.870 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000502952979 1005290808 /nfs/dbraw/zinc/29/08/08/1005290808.db2.gz VLENHFJYKRDRHF-IBGZPJMESA-N 2 2 405.546 3.860 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000502964490 1005294491 /nfs/dbraw/zinc/29/44/91/1005294491.db2.gz GRDJQFJTGGCAKZ-QFIPXVFZSA-N 2 2 424.614 3.727 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000502964490 1005294494 /nfs/dbraw/zinc/29/44/94/1005294494.db2.gz GRDJQFJTGGCAKZ-QFIPXVFZSA-N 2 2 424.614 3.727 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074520 1005339124 /nfs/dbraw/zinc/33/91/24/1005339124.db2.gz LQTJOWVNXBPWDO-XUWXXGDYSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074520 1005339128 /nfs/dbraw/zinc/33/91/28/1005339128.db2.gz LQTJOWVNXBPWDO-XUWXXGDYSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074519 1005339500 /nfs/dbraw/zinc/33/95/00/1005339500.db2.gz LQTJOWVNXBPWDO-QIIPPGSGSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074519 1005339505 /nfs/dbraw/zinc/33/95/05/1005339505.db2.gz LQTJOWVNXBPWDO-QIIPPGSGSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000503076668 1005340676 /nfs/dbraw/zinc/34/06/76/1005340676.db2.gz YUQGCMOUNNXFML-SFHVURJKSA-N 2 2 411.531 3.546 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000503076668 1005340677 /nfs/dbraw/zinc/34/06/77/1005340677.db2.gz YUQGCMOUNNXFML-SFHVURJKSA-N 2 2 411.531 3.546 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000503085552 1005343524 /nfs/dbraw/zinc/34/35/24/1005343524.db2.gz GWEPEIWVXRUOAP-IBGZPJMESA-N 2 2 409.578 3.725 20 0 HHADLP CCC(CC)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000503091267 1005344912 /nfs/dbraw/zinc/34/49/12/1005344912.db2.gz QXCLKMGBGVKCLX-IBGZPJMESA-N 2 2 411.594 3.971 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371684 1005400701 /nfs/dbraw/zinc/40/07/01/1005400701.db2.gz UGHBURANMLEYED-QVRRQISLSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371684 1005400702 /nfs/dbraw/zinc/40/07/02/1005400702.db2.gz UGHBURANMLEYED-QVRRQISLSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379752 1005403060 /nfs/dbraw/zinc/40/30/60/1005403060.db2.gz REHWADJGEMQJIB-AZUAARDMSA-N 2 2 419.573 3.628 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379752 1005403062 /nfs/dbraw/zinc/40/30/62/1005403062.db2.gz REHWADJGEMQJIB-AZUAARDMSA-N 2 2 419.573 3.628 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)CC1 ZINC000503456331 1005425852 /nfs/dbraw/zinc/42/58/52/1005425852.db2.gz WEIAGHPCUVDAEF-HSZRJFAPSA-N 2 2 409.578 3.585 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612300 1005465047 /nfs/dbraw/zinc/46/50/47/1005465047.db2.gz BJNNVWNNQLKZJQ-YJBOKZPZSA-N 2 2 423.483 3.528 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612300 1005465048 /nfs/dbraw/zinc/46/50/48/1005465048.db2.gz BJNNVWNNQLKZJQ-YJBOKZPZSA-N 2 2 423.483 3.528 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000514626085 1006057395 /nfs/dbraw/zinc/05/73/95/1006057395.db2.gz ORZNYRABUKOBEX-KRWDZBQOSA-N 2 2 400.542 3.707 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000514626085 1006057407 /nfs/dbraw/zinc/05/74/07/1006057407.db2.gz ORZNYRABUKOBEX-KRWDZBQOSA-N 2 2 400.542 3.707 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795218 1006130016 /nfs/dbraw/zinc/13/00/16/1006130016.db2.gz ZNWFMWVZRCMDMQ-JXFKEZNVSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795218 1006130026 /nfs/dbraw/zinc/13/00/26/1006130026.db2.gz ZNWFMWVZRCMDMQ-JXFKEZNVSA-N 2 2 404.352 3.723 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166888 /nfs/dbraw/zinc/16/68/88/1006166888.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 3 2 418.629 3.760 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166903 /nfs/dbraw/zinc/16/69/03/1006166903.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 3 2 418.629 3.760 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205343 1006197745 /nfs/dbraw/zinc/19/77/45/1006197745.db2.gz CCERGQPPQSPHCA-YADHBBJMSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205343 1006197748 /nfs/dbraw/zinc/19/77/48/1006197748.db2.gz CCERGQPPQSPHCA-YADHBBJMSA-N 2 2 402.583 3.886 20 0 HHADLP CCc1nc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)sc1C ZINC000534231667 1006231708 /nfs/dbraw/zinc/23/17/08/1006231708.db2.gz OHODJALJKBVDPK-UHFFFAOYSA-N 2 2 412.603 3.941 20 0 HHADLP CCc1nc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)sc1C ZINC000534231667 1006231718 /nfs/dbraw/zinc/23/17/18/1006231718.db2.gz OHODJALJKBVDPK-UHFFFAOYSA-N 2 2 412.603 3.941 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236261 1006241436 /nfs/dbraw/zinc/24/14/36/1006241436.db2.gz RMPUUKJETQRYFO-YLJYHZDGSA-N 2 2 421.948 3.709 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236261 1006241447 /nfs/dbraw/zinc/24/14/47/1006241447.db2.gz RMPUUKJETQRYFO-YLJYHZDGSA-N 2 2 421.948 3.709 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357822 1006319026 /nfs/dbraw/zinc/31/90/26/1006319026.db2.gz AFGLDJWVCBZCIZ-YADHBBJMSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357822 1006319036 /nfs/dbraw/zinc/31/90/36/1006319036.db2.gz AFGLDJWVCBZCIZ-YADHBBJMSA-N 2 2 410.562 3.751 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360405 1006324236 /nfs/dbraw/zinc/32/42/36/1006324236.db2.gz WNTLBXBPNKOEMC-FOVJLYNBSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360405 1006324242 /nfs/dbraw/zinc/32/42/42/1006324242.db2.gz WNTLBXBPNKOEMC-FOVJLYNBSA-N 2 2 415.622 3.984 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361564 1006327514 /nfs/dbraw/zinc/32/75/14/1006327514.db2.gz YYBDZDNSJVPYLG-LEWJYISDSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361564 1006327523 /nfs/dbraw/zinc/32/75/23/1006327523.db2.gz YYBDZDNSJVPYLG-LEWJYISDSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361567 1006327808 /nfs/dbraw/zinc/32/78/08/1006327808.db2.gz YYBDZDNSJVPYLG-SFTDATJTSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361567 1006327814 /nfs/dbraw/zinc/32/78/14/1006327814.db2.gz YYBDZDNSJVPYLG-SFTDATJTSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375717 1006343978 /nfs/dbraw/zinc/34/39/78/1006343978.db2.gz WSHYWEIJUADXJR-PKTZIBPZSA-N 2 2 400.611 3.782 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375717 1006343991 /nfs/dbraw/zinc/34/39/91/1006343991.db2.gz WSHYWEIJUADXJR-PKTZIBPZSA-N 2 2 400.611 3.782 20 0 HHADLP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531695380 1006359554 /nfs/dbraw/zinc/35/95/54/1006359554.db2.gz PVEJGQCYBFXTAL-KXBFYZLASA-N 2 2 405.420 3.982 20 0 HHADLP Clc1ccc(OCc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000515546203 1006526798 /nfs/dbraw/zinc/52/67/98/1006526798.db2.gz SASJFKBXILMROG-UHFFFAOYSA-N 2 2 421.994 3.920 20 0 HHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000531958656 1006546848 /nfs/dbraw/zinc/54/68/48/1006546848.db2.gz YEEVDHSPFMYZAO-JPYJTQIMSA-N 2 2 424.980 3.560 20 0 HHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000532016177 1006578073 /nfs/dbraw/zinc/57/80/73/1006578073.db2.gz FCIIJVRUJHBPKA-GOSISDBHSA-N 2 2 405.420 3.712 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538352077 1006618798 /nfs/dbraw/zinc/61/87/98/1006618798.db2.gz QPVDVMAZKWPHJG-VXKWHMMOSA-N 2 2 420.573 3.836 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538352077 1006618808 /nfs/dbraw/zinc/61/88/08/1006618808.db2.gz QPVDVMAZKWPHJG-VXKWHMMOSA-N 2 2 420.573 3.836 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1sccc1Br ZINC000532194002 1006711621 /nfs/dbraw/zinc/71/16/21/1006711621.db2.gz KFOTXTPGPRXKAN-CQSZACIVSA-N 2 2 422.392 3.749 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1Br ZINC000532198539 1006714666 /nfs/dbraw/zinc/71/46/66/1006714666.db2.gz JFODMTXSZLFFLF-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532202382 1006717922 /nfs/dbraw/zinc/71/79/22/1006717922.db2.gz IRBBNAHDOYJZSX-QGZVFWFLSA-N 2 2 400.954 3.731 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488033 1006756276 /nfs/dbraw/zinc/75/62/76/1006756276.db2.gz LOAFMOCCTQEWMJ-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488033 1006756292 /nfs/dbraw/zinc/75/62/92/1006756292.db2.gz LOAFMOCCTQEWMJ-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488033 1006756304 /nfs/dbraw/zinc/75/63/04/1006756304.db2.gz LOAFMOCCTQEWMJ-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488033 1006756318 /nfs/dbraw/zinc/75/63/18/1006756318.db2.gz LOAFMOCCTQEWMJ-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607313 1006879155 /nfs/dbraw/zinc/87/91/55/1006879155.db2.gz FRRMXWDRMPUGFB-DNQXCXABSA-N 2 2 414.638 3.942 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607313 1006879173 /nfs/dbraw/zinc/87/91/73/1006879173.db2.gz FRRMXWDRMPUGFB-DNQXCXABSA-N 2 2 414.638 3.942 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607310 1006879425 /nfs/dbraw/zinc/87/94/25/1006879425.db2.gz FRRMXWDRMPUGFB-BJKOFHAPSA-N 2 2 414.638 3.942 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607310 1006879440 /nfs/dbraw/zinc/87/94/40/1006879440.db2.gz FRRMXWDRMPUGFB-BJKOFHAPSA-N 2 2 414.638 3.942 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532458274 1006899317 /nfs/dbraw/zinc/89/93/17/1006899317.db2.gz BFTGGRXTDCWGSS-HNNXBMFYSA-N 2 2 402.926 3.719 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc(-c2ccccc2)cs1 ZINC000532494777 1006937141 /nfs/dbraw/zinc/93/71/41/1006937141.db2.gz CDXRRBYFZWOZFE-SFHVURJKSA-N 2 2 421.570 3.595 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534942999 1006984561 /nfs/dbraw/zinc/98/45/61/1006984561.db2.gz DKCLRBFZPKVUJJ-RBUKOAKNSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534942999 1006984566 /nfs/dbraw/zinc/98/45/66/1006984566.db2.gz DKCLRBFZPKVUJJ-RBUKOAKNSA-N 2 2 412.500 3.905 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532571928 1007003152 /nfs/dbraw/zinc/00/31/52/1007003152.db2.gz IUWRTHFTXSVGMG-PXNSSMCTSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532571928 1007003167 /nfs/dbraw/zinc/00/31/67/1007003167.db2.gz IUWRTHFTXSVGMG-PXNSSMCTSA-N 2 2 422.411 3.746 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764033 1007048914 /nfs/dbraw/zinc/04/89/14/1007048914.db2.gz JMJPXHPBDIFRRO-FQEVSTJZSA-N 2 2 424.427 3.838 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764033 1007048929 /nfs/dbraw/zinc/04/89/29/1007048929.db2.gz JMJPXHPBDIFRRO-FQEVSTJZSA-N 2 2 424.427 3.838 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093998 1007109736 /nfs/dbraw/zinc/10/97/36/1007109736.db2.gz GTAKPEMYWHDVRG-ZEQRLZLVSA-N 2 2 414.638 3.942 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093998 1007109743 /nfs/dbraw/zinc/10/97/43/1007109743.db2.gz GTAKPEMYWHDVRG-ZEQRLZLVSA-N 2 2 414.638 3.942 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095011 1007110526 /nfs/dbraw/zinc/11/05/26/1007110526.db2.gz MAHSTTTZRLAESM-PMACEKPBSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095011 1007110533 /nfs/dbraw/zinc/11/05/33/1007110533.db2.gz MAHSTTTZRLAESM-PMACEKPBSA-N 2 2 404.624 3.603 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096259 1007114385 /nfs/dbraw/zinc/11/43/85/1007114385.db2.gz NEAOKKAQRLXDLL-JWQCQUIFSA-N 2 2 424.633 3.907 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096259 1007114391 /nfs/dbraw/zinc/11/43/91/1007114391.db2.gz NEAOKKAQRLXDLL-JWQCQUIFSA-N 2 2 424.633 3.907 20 0 HHADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(Br)c1O ZINC000516504719 1007114411 /nfs/dbraw/zinc/11/44/11/1007114411.db2.gz WBTCBWJENWXVNI-UHFFFAOYSA-N 2 2 402.292 3.698 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112168 1007137430 /nfs/dbraw/zinc/13/74/30/1007137430.db2.gz QAOBXBRVLIKAFD-YCZSINBZSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535112168 1007137438 /nfs/dbraw/zinc/13/74/38/1007137438.db2.gz QAOBXBRVLIKAFD-YCZSINBZSA-N 2 2 416.610 3.882 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850672 1007237581 /nfs/dbraw/zinc/23/75/81/1007237581.db2.gz YMLDDTZMVMZCFX-CDHQVMDDSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850672 1007237593 /nfs/dbraw/zinc/23/75/93/1007237593.db2.gz YMLDDTZMVMZCFX-CDHQVMDDSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850672 1007237601 /nfs/dbraw/zinc/23/76/01/1007237601.db2.gz YMLDDTZMVMZCFX-CDHQVMDDSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850672 1007237610 /nfs/dbraw/zinc/23/76/10/1007237610.db2.gz YMLDDTZMVMZCFX-CDHQVMDDSA-N 2 2 410.965 3.644 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000516717004 1007253346 /nfs/dbraw/zinc/25/33/46/1007253346.db2.gz VWSWFVXAWUQDDC-UHFFFAOYSA-N 2 2 401.530 3.665 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000516717004 1007253356 /nfs/dbraw/zinc/25/33/56/1007253356.db2.gz VWSWFVXAWUQDDC-UHFFFAOYSA-N 2 2 401.530 3.665 20 0 HHADLP COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280658 1007332060 /nfs/dbraw/zinc/33/20/60/1007332060.db2.gz IOCZBZVHXLXQCX-ISKFKSNPSA-N 2 2 408.590 3.693 20 0 HHADLP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280658 1007332072 /nfs/dbraw/zinc/33/20/72/1007332072.db2.gz IOCZBZVHXLXQCX-ISKFKSNPSA-N 2 2 408.590 3.693 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000532986504 1007357323 /nfs/dbraw/zinc/35/73/23/1007357323.db2.gz JUYKQJUMXOMNFX-JOCHJYFZSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000532986504 1007357334 /nfs/dbraw/zinc/35/73/34/1007357334.db2.gz JUYKQJUMXOMNFX-JOCHJYFZSA-N 2 2 422.573 3.518 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115034 1007402280 /nfs/dbraw/zinc/40/22/80/1007402280.db2.gz ILIMXZSEPJHYOL-VQTJNVASSA-N 2 2 410.965 3.788 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115034 1007402283 /nfs/dbraw/zinc/40/22/83/1007402283.db2.gz ILIMXZSEPJHYOL-VQTJNVASSA-N 2 2 410.965 3.788 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143423 1007439278 /nfs/dbraw/zinc/43/92/78/1007439278.db2.gz RWAMUYHUUQBFDO-CZAAIQMYSA-N 2 2 424.992 3.892 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143423 1007439282 /nfs/dbraw/zinc/43/92/82/1007439282.db2.gz RWAMUYHUUQBFDO-CZAAIQMYSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143423 1007439288 /nfs/dbraw/zinc/43/92/88/1007439288.db2.gz RWAMUYHUUQBFDO-CZAAIQMYSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143423 1007439291 /nfs/dbraw/zinc/43/92/91/1007439291.db2.gz RWAMUYHUUQBFDO-CZAAIQMYSA-N 2 2 424.992 3.892 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148328 1007444904 /nfs/dbraw/zinc/44/49/04/1007444904.db2.gz NKTXZZNDCJPWEI-YADHBBJMSA-N 2 2 401.595 3.721 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148328 1007444907 /nfs/dbraw/zinc/44/49/07/1007444907.db2.gz NKTXZZNDCJPWEI-YADHBBJMSA-N 2 2 401.595 3.721 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000539150378 1007446776 /nfs/dbraw/zinc/44/67/76/1007446776.db2.gz ZSHRDBBADBKZQV-HDICACEKSA-N 2 2 407.624 3.891 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000539150378 1007446779 /nfs/dbraw/zinc/44/67/79/1007446779.db2.gz ZSHRDBBADBKZQV-HDICACEKSA-N 2 2 407.624 3.891 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000517152757 1007464829 /nfs/dbraw/zinc/46/48/29/1007464829.db2.gz YVSCFUAEJSTXGR-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000517152757 1007464838 /nfs/dbraw/zinc/46/48/38/1007464838.db2.gz YVSCFUAEJSTXGR-UHFFFAOYSA-N 2 2 410.562 3.646 20 0 HHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(Cl)c1OC ZINC000533187003 1007525418 /nfs/dbraw/zinc/52/54/18/1007525418.db2.gz UJCBKIGDQZLUGV-UHFFFAOYSA-N 2 2 404.942 3.895 20 0 HHADLP O=C(CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539275940 1007570526 /nfs/dbraw/zinc/57/05/26/1007570526.db2.gz HFJLLTXIEBJJTK-SFHVURJKSA-N 2 2 424.442 3.543 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000539351005 1007652919 /nfs/dbraw/zinc/65/29/19/1007652919.db2.gz WYZSWMDJKDWYLT-UGKGYDQZSA-N 2 2 413.566 3.873 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000539351005 1007652924 /nfs/dbraw/zinc/65/29/24/1007652924.db2.gz WYZSWMDJKDWYLT-UGKGYDQZSA-N 2 2 413.566 3.873 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533354019 1007662185 /nfs/dbraw/zinc/66/21/85/1007662185.db2.gz BWDJNLONGZZWPI-DEOSSOPVSA-N 2 2 402.542 3.649 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533354019 1007662189 /nfs/dbraw/zinc/66/21/89/1007662189.db2.gz BWDJNLONGZZWPI-DEOSSOPVSA-N 2 2 402.542 3.649 20 0 HHADLP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533435374 1007749278 /nfs/dbraw/zinc/74/92/78/1007749278.db2.gz VOMSIKAWRDPMRF-GOSISDBHSA-N 2 2 408.468 3.885 20 0 HHADLP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533435374 1007749289 /nfs/dbraw/zinc/74/92/89/1007749289.db2.gz VOMSIKAWRDPMRF-GOSISDBHSA-N 2 2 408.468 3.885 20 0 HHADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793358 1007799496 /nfs/dbraw/zinc/79/94/96/1007799496.db2.gz WPPIFELPYCQFLN-DNQXCXABSA-N 2 2 424.589 3.817 20 0 HHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793358 1007799502 /nfs/dbraw/zinc/79/95/02/1007799502.db2.gz WPPIFELPYCQFLN-DNQXCXABSA-N 2 2 424.589 3.817 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822944 1007837420 /nfs/dbraw/zinc/83/74/20/1007837420.db2.gz ITQAMQJGRWDBOM-KNQAVFIVSA-N 2 2 404.514 3.906 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822944 1007837427 /nfs/dbraw/zinc/83/74/27/1007837427.db2.gz ITQAMQJGRWDBOM-KNQAVFIVSA-N 2 2 404.514 3.906 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000539540468 1007849559 /nfs/dbraw/zinc/84/95/59/1007849559.db2.gz UAMKORGZJUCVNS-RXVVDRJESA-N 2 2 411.550 3.535 20 0 HHADLP CC(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000539546226 1007857548 /nfs/dbraw/zinc/85/75/48/1007857548.db2.gz LCENYZWQCAANGM-DEOSSOPVSA-N 2 2 406.530 3.853 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850561 1007863541 /nfs/dbraw/zinc/86/35/41/1007863541.db2.gz FZBKKADICXONAH-DNQXCXABSA-N 2 2 410.606 3.827 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850561 1007863547 /nfs/dbraw/zinc/86/35/47/1007863547.db2.gz FZBKKADICXONAH-DNQXCXABSA-N 2 2 410.606 3.827 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850932 1007864636 /nfs/dbraw/zinc/86/46/36/1007864636.db2.gz WSTBBAGRRGGWBG-OALUTQOASA-N 2 2 422.017 3.663 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850932 1007864646 /nfs/dbraw/zinc/86/46/46/1007864646.db2.gz WSTBBAGRRGGWBG-OALUTQOASA-N 2 2 422.017 3.663 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855850 1007870653 /nfs/dbraw/zinc/87/06/53/1007870653.db2.gz OSUNPRQNSOLVED-ROUUACIJSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855850 1007870655 /nfs/dbraw/zinc/87/06/55/1007870655.db2.gz OSUNPRQNSOLVED-ROUUACIJSA-N 2 2 412.500 3.510 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570900 1007886866 /nfs/dbraw/zinc/88/68/66/1007886866.db2.gz YDZWJVKXGKEJJR-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570900 1007886876 /nfs/dbraw/zinc/88/68/76/1007886876.db2.gz YDZWJVKXGKEJJR-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP CN(C(=O)NC[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878740 1007898223 /nfs/dbraw/zinc/89/82/23/1007898223.db2.gz ZDTUEYHHNQXZOL-TUACAJSNSA-N 2 2 412.622 3.695 20 0 HHADLP CN(C(=O)NC[C@@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878740 1007898241 /nfs/dbraw/zinc/89/82/41/1007898241.db2.gz ZDTUEYHHNQXZOL-TUACAJSNSA-N 2 2 412.622 3.695 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1Cl ZINC000517715336 1007927314 /nfs/dbraw/zinc/92/73/14/1007927314.db2.gz QJVSDSRFTCOQBI-HXUWFJFHSA-N 2 2 421.010 3.574 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535928033 1007950803 /nfs/dbraw/zinc/95/08/03/1007950803.db2.gz FLZSDRKUPWJGJC-QMMLZNLJSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535928033 1007950818 /nfs/dbraw/zinc/95/08/18/1007950818.db2.gz FLZSDRKUPWJGJC-QMMLZNLJSA-N 2 2 422.976 3.598 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649945 1007961688 /nfs/dbraw/zinc/96/16/88/1007961688.db2.gz ZCLYJIGVBVLBJY-DNVJHFABSA-N 2 2 415.647 3.813 20 0 HHADLP CN(C(=O)[C@@H]1SCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649945 1007961708 /nfs/dbraw/zinc/96/17/08/1007961708.db2.gz ZCLYJIGVBVLBJY-DNVJHFABSA-N 2 2 415.647 3.813 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650638 1007962458 /nfs/dbraw/zinc/96/24/58/1007962458.db2.gz DAFYLOZSQGSKFM-RTWAWAEBSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650638 1007962464 /nfs/dbraw/zinc/96/24/64/1007962464.db2.gz DAFYLOZSQGSKFM-RTWAWAEBSA-N 2 2 407.549 3.693 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650263 1007962752 /nfs/dbraw/zinc/96/27/52/1007962752.db2.gz SLPXHYAQJKIWIH-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650263 1007962759 /nfs/dbraw/zinc/96/27/59/1007962759.db2.gz SLPXHYAQJKIWIH-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651096 1007963593 /nfs/dbraw/zinc/96/35/93/1007963593.db2.gz NAKYGLPAMCYISE-VQTJNVASSA-N 2 2 419.635 3.815 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651096 1007963600 /nfs/dbraw/zinc/96/36/00/1007963600.db2.gz NAKYGLPAMCYISE-VQTJNVASSA-N 2 2 419.635 3.815 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665978 1007982082 /nfs/dbraw/zinc/98/20/82/1007982082.db2.gz XDDPMRYMWHRTES-YADHBBJMSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665978 1007982091 /nfs/dbraw/zinc/98/20/91/1007982091.db2.gz XDDPMRYMWHRTES-YADHBBJMSA-N 2 2 412.578 3.911 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903447 1008047353 /nfs/dbraw/zinc/04/73/53/1008047353.db2.gz NFPNBFCLJNLSFO-RDPSFJRHSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903447 1008047366 /nfs/dbraw/zinc/04/73/66/1008047366.db2.gz NFPNBFCLJNLSFO-RDPSFJRHSA-N 2 2 422.573 3.866 20 0 HHADLP CC(C)Oc1cccc(CN(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000533735862 1008062084 /nfs/dbraw/zinc/06/20/84/1008062084.db2.gz OKKFBQRHTHZARH-UHFFFAOYSA-N 2 2 416.610 3.566 20 0 HHADLP COc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(Cl)c1OC ZINC000539825939 1008121102 /nfs/dbraw/zinc/12/11/02/1008121102.db2.gz YQRUIPSQRHVPBU-UHFFFAOYSA-N 3 2 424.029 3.985 20 0 HHADLP COc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(Cl)c1OC ZINC000539825939 1008121107 /nfs/dbraw/zinc/12/11/07/1008121107.db2.gz YQRUIPSQRHVPBU-UHFFFAOYSA-N 3 2 424.029 3.985 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832562 1008126059 /nfs/dbraw/zinc/12/60/59/1008126059.db2.gz UNOJRJBCGYACPJ-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832562 1008126062 /nfs/dbraw/zinc/12/60/62/1008126062.db2.gz UNOJRJBCGYACPJ-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832562 1008126067 /nfs/dbraw/zinc/12/60/67/1008126067.db2.gz UNOJRJBCGYACPJ-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000539832562 1008126071 /nfs/dbraw/zinc/12/60/71/1008126071.db2.gz UNOJRJBCGYACPJ-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000539949471 1008201398 /nfs/dbraw/zinc/20/13/98/1008201398.db2.gz DPDDODJAJCGJAK-UHFFFAOYSA-N 2 2 412.965 3.508 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)c1 ZINC000518268569 1008234117 /nfs/dbraw/zinc/23/41/17/1008234117.db2.gz JUYOOYUITKZAIQ-AREMUKBSSA-N 2 2 423.601 3.855 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000540176680 1008323545 /nfs/dbraw/zinc/32/35/45/1008323545.db2.gz VQBHCTZUMOWUDO-GCJKJVERSA-N 2 2 405.546 3.737 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000540176680 1008323549 /nfs/dbraw/zinc/32/35/49/1008323549.db2.gz VQBHCTZUMOWUDO-GCJKJVERSA-N 2 2 405.546 3.737 20 0 HHADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000540176705 1008323776 /nfs/dbraw/zinc/32/37/76/1008323776.db2.gz FDCNRIDVOWWHAA-DENIHFKCSA-N 2 2 409.578 3.756 20 0 HHADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000540176985 1008324252 /nfs/dbraw/zinc/32/42/52/1008324252.db2.gz WTFOTRUOOVZBTM-KNKQGSTJSA-N 2 2 407.562 3.510 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241248 1008349377 /nfs/dbraw/zinc/34/93/77/1008349377.db2.gz RJRFNTKJHOPRCU-YSSFQJQWSA-N 2 2 410.965 3.644 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241248 1008349379 /nfs/dbraw/zinc/34/93/79/1008349379.db2.gz RJRFNTKJHOPRCU-YSSFQJQWSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241248 1008349381 /nfs/dbraw/zinc/34/93/81/1008349381.db2.gz RJRFNTKJHOPRCU-YSSFQJQWSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241248 1008349383 /nfs/dbraw/zinc/34/93/83/1008349383.db2.gz RJRFNTKJHOPRCU-YSSFQJQWSA-N 2 2 410.965 3.644 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912016 1008470518 /nfs/dbraw/zinc/47/05/18/1008470518.db2.gz BSUTWRPRTSCGPN-OXQOHEQNSA-N 2 2 402.564 3.566 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441337 1008553745 /nfs/dbraw/zinc/55/37/45/1008553745.db2.gz YBWVKBYAAVPDIU-ZCYQVOJMSA-N 2 2 414.553 3.788 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441337 1008553760 /nfs/dbraw/zinc/55/37/60/1008553760.db2.gz YBWVKBYAAVPDIU-ZCYQVOJMSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441337 1008553772 /nfs/dbraw/zinc/55/37/72/1008553772.db2.gz YBWVKBYAAVPDIU-ZCYQVOJMSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441337 1008553783 /nfs/dbraw/zinc/55/37/83/1008553783.db2.gz YBWVKBYAAVPDIU-ZCYQVOJMSA-N 2 2 414.553 3.788 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CCC(C)CC1 ZINC000543014942 1008592774 /nfs/dbraw/zinc/59/27/74/1008592774.db2.gz OWABGUGYBWDKBT-LQOCYXTFSA-N 2 2 401.639 3.842 20 0 HHADLP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cnn1-c1cc(C)ccc1C ZINC000519198813 1008602123 /nfs/dbraw/zinc/60/21/23/1008602123.db2.gz XWPJMHMCSIEGMQ-BHGTWAMESA-N 2 2 423.605 3.532 20 0 HHADLP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cnn1-c1cc(C)ccc1C ZINC000519198813 1008602132 /nfs/dbraw/zinc/60/21/32/1008602132.db2.gz XWPJMHMCSIEGMQ-BHGTWAMESA-N 2 2 423.605 3.532 20 0 HHADLP CCCC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000519210072 1008615873 /nfs/dbraw/zinc/61/58/73/1008615873.db2.gz IOZAQPIYBVCYAQ-QFIPXVFZSA-N 2 2 404.599 3.594 20 0 HHADLP CCCC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000519210072 1008615891 /nfs/dbraw/zinc/61/58/91/1008615891.db2.gz IOZAQPIYBVCYAQ-QFIPXVFZSA-N 2 2 404.599 3.594 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061522 1008639395 /nfs/dbraw/zinc/63/93/95/1008639395.db2.gz YRDLGWMWQORYBN-QGZVFWFLSA-N 2 2 404.505 3.873 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543107207 1008679583 /nfs/dbraw/zinc/67/95/83/1008679583.db2.gz JQKDTOUOXCRUSW-YADHBBJMSA-N 2 2 419.585 3.779 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543107207 1008679596 /nfs/dbraw/zinc/67/95/96/1008679596.db2.gz JQKDTOUOXCRUSW-YADHBBJMSA-N 2 2 419.585 3.779 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106837 1008679966 /nfs/dbraw/zinc/67/99/66/1008679966.db2.gz DGIDTPHRNNJYEK-NHCUHLMSSA-N 2 2 404.599 3.987 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106837 1008679974 /nfs/dbraw/zinc/67/99/74/1008679974.db2.gz DGIDTPHRNNJYEK-NHCUHLMSSA-N 2 2 404.599 3.987 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000549161321 1008731731 /nfs/dbraw/zinc/73/17/31/1008731731.db2.gz BGDZFYAGOUCQOK-GMAHTHKFSA-N 2 2 407.558 3.517 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000549161321 1008731745 /nfs/dbraw/zinc/73/17/45/1008731745.db2.gz BGDZFYAGOUCQOK-GMAHTHKFSA-N 2 2 407.558 3.517 20 0 HHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000519530956 1008894946 /nfs/dbraw/zinc/89/49/46/1008894946.db2.gz FEAMXYHCGJSXSM-ZEQRLZLVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000519530956 1008894954 /nfs/dbraw/zinc/89/49/54/1008894954.db2.gz FEAMXYHCGJSXSM-ZEQRLZLVSA-N 2 2 409.574 3.511 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000543395123 1008986322 /nfs/dbraw/zinc/98/63/22/1008986322.db2.gz YIIWZCPUDLEQKX-QFIPXVFZSA-N 2 2 417.513 3.504 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000543395123 1008986330 /nfs/dbraw/zinc/98/63/30/1008986330.db2.gz YIIWZCPUDLEQKX-QFIPXVFZSA-N 2 2 417.513 3.504 20 0 HHADLP CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000543487881 1009077845 /nfs/dbraw/zinc/07/78/45/1009077845.db2.gz VRRDOOHNAQGKNR-FQEVSTJZSA-N 2 2 401.576 3.896 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772738 1009340865 /nfs/dbraw/zinc/34/08/65/1009340865.db2.gz CCUCHEGKHARWRK-GAJHUEQPSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772738 1009340880 /nfs/dbraw/zinc/34/08/80/1009340880.db2.gz CCUCHEGKHARWRK-GAJHUEQPSA-N 2 2 423.536 3.522 20 0 HHADLP CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550318612 1009859012 /nfs/dbraw/zinc/85/90/12/1009859012.db2.gz BKUDOQQORFMZDD-ZLNRFVROSA-N 2 2 411.590 3.542 20 0 HHADLP CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550318612 1009859031 /nfs/dbraw/zinc/85/90/31/1009859031.db2.gz BKUDOQQORFMZDD-ZLNRFVROSA-N 2 2 411.590 3.542 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000547006422 1009962093 /nfs/dbraw/zinc/96/20/93/1009962093.db2.gz RXYNEYPERJCOHN-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000547006422 1009962106 /nfs/dbraw/zinc/96/21/06/1009962106.db2.gz RXYNEYPERJCOHN-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP Cc1cc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544359576 1009985730 /nfs/dbraw/zinc/98/57/30/1009985730.db2.gz GFASKVMWNPRFGZ-QHCPKHFHSA-N 2 2 405.521 3.555 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360097 1009987112 /nfs/dbraw/zinc/98/71/12/1009987112.db2.gz SLGUHGIRKMNCSO-LADGPHEKSA-N 2 2 403.526 3.856 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360097 1009987126 /nfs/dbraw/zinc/98/71/26/1009987126.db2.gz SLGUHGIRKMNCSO-LADGPHEKSA-N 2 2 403.526 3.856 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386039 1010008029 /nfs/dbraw/zinc/00/80/29/1010008029.db2.gz PZUXRGYTXWTFNM-DYESRHJHSA-N 2 2 409.509 3.704 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386039 1010008045 /nfs/dbraw/zinc/00/80/45/1010008045.db2.gz PZUXRGYTXWTFNM-DYESRHJHSA-N 2 2 409.509 3.704 20 0 HHADLP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550647543 1010080902 /nfs/dbraw/zinc/08/09/02/1010080902.db2.gz OKYYNGBTILGAIB-RPBOFIJWSA-N 2 2 405.586 3.893 20 0 HHADLP C[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550647543 1010080916 /nfs/dbraw/zinc/08/09/16/1010080916.db2.gz OKYYNGBTILGAIB-RPBOFIJWSA-N 2 2 405.586 3.893 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)c2)cc[nH+]1 ZINC000544508850 1010129924 /nfs/dbraw/zinc/12/99/24/1010129924.db2.gz LOCBOEJGJBTGQB-QFIPXVFZSA-N 2 2 409.578 3.883 20 0 HHADLP COc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000547967498 1010487309 /nfs/dbraw/zinc/48/73/09/1010487309.db2.gz DPMJYQGJOVOQHO-LLVKDONJSA-N 2 2 415.129 3.521 20 0 HHADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551274317 1010488041 /nfs/dbraw/zinc/48/80/41/1010488041.db2.gz DUHLQZDQPSXVQY-FOIQADDNSA-N 2 2 421.354 3.528 20 0 HHADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551274317 1010488052 /nfs/dbraw/zinc/48/80/52/1010488052.db2.gz DUHLQZDQPSXVQY-FOIQADDNSA-N 2 2 421.354 3.528 20 0 HHADLP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551393505 1010558247 /nfs/dbraw/zinc/55/82/47/1010558247.db2.gz JWVQLRVATMCAMQ-DEOSSOPVSA-N 2 2 415.622 3.638 20 0 HHADLP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551393505 1010558258 /nfs/dbraw/zinc/55/82/58/1010558258.db2.gz JWVQLRVATMCAMQ-DEOSSOPVSA-N 2 2 415.622 3.638 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484505 1010642422 /nfs/dbraw/zinc/64/24/22/1010642422.db2.gz GQABLTUGRRKTJX-VXKWHMMOSA-N 2 2 418.582 3.505 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484505 1010642428 /nfs/dbraw/zinc/64/24/28/1010642428.db2.gz GQABLTUGRRKTJX-VXKWHMMOSA-N 2 2 418.582 3.505 20 0 HHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000521826689 1010642708 /nfs/dbraw/zinc/64/27/08/1010642708.db2.gz LDQQZUYFGMOHDA-UHFFFAOYSA-N 2 2 415.585 3.831 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CCC2)CC1 ZINC000545205358 1010683010 /nfs/dbraw/zinc/68/30/10/1010683010.db2.gz DWAWNZUMTKMGFB-UHFFFAOYSA-N 2 2 423.395 3.878 20 0 HHADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H](c2ccccc2)C1 ZINC000548773376 1010727447 /nfs/dbraw/zinc/72/74/47/1010727447.db2.gz DVTURQILGFLVJC-QFIPXVFZSA-N 2 2 410.587 3.756 20 0 HHADLP C[N@H+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H](c2ccccc2)C1 ZINC000548773376 1010727456 /nfs/dbraw/zinc/72/74/56/1010727456.db2.gz DVTURQILGFLVJC-QFIPXVFZSA-N 2 2 410.587 3.756 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336496 1010734722 /nfs/dbraw/zinc/73/47/22/1010734722.db2.gz RWGIRTRJOJFHTF-UXPWSPDFSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336496 1010734730 /nfs/dbraw/zinc/73/47/30/1010734730.db2.gz RWGIRTRJOJFHTF-UXPWSPDFSA-N 2 2 421.655 3.534 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703253 1010749360 /nfs/dbraw/zinc/74/93/60/1010749360.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703253 1010749367 /nfs/dbraw/zinc/74/93/67/1010749367.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703253 1010749377 /nfs/dbraw/zinc/74/93/77/1010749377.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703253 1010749385 /nfs/dbraw/zinc/74/93/85/1010749385.db2.gz VNNOYZNKNFGURY-HRNNMHKYSA-N 3 2 407.602 3.778 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000522193267 1010858720 /nfs/dbraw/zinc/85/87/20/1010858720.db2.gz SLJLTBFKKYNLTO-UHFFFAOYSA-N 2 2 408.502 3.854 20 0 HHADLP C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000522401906 1010983627 /nfs/dbraw/zinc/98/36/27/1010983627.db2.gz QPOJJOJKSSBJDN-LJQANCHMSA-N 2 2 400.611 3.601 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430957 1011005677 /nfs/dbraw/zinc/00/56/77/1011005677.db2.gz MUQBPJBHDCPNOT-PXNSSMCTSA-N 2 2 407.493 3.646 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430957 1011005681 /nfs/dbraw/zinc/00/56/81/1011005681.db2.gz MUQBPJBHDCPNOT-PXNSSMCTSA-N 2 2 407.493 3.646 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)c1ccccc1O2 ZINC000522745666 1011191416 /nfs/dbraw/zinc/19/14/16/1011191416.db2.gz JBMRKJRQJBXVIN-OAQYLSRUSA-N 2 2 402.498 3.590 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[NH+]1CCCC1 ZINC000522846538 1011286310 /nfs/dbraw/zinc/28/63/10/1011286310.db2.gz KSGSDZALFPSJAC-QFIPXVFZSA-N 2 2 404.514 3.756 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000540638720 1011287486 /nfs/dbraw/zinc/28/74/86/1011287486.db2.gz QQEXTEISSGGSMB-WIYYLYMNSA-N 2 2 411.550 3.535 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536299741 1011488029 /nfs/dbraw/zinc/48/80/29/1011488029.db2.gz TYUMEBBHYFQKRA-ICSRJNTNSA-N 2 2 401.942 3.672 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536299741 1011488042 /nfs/dbraw/zinc/48/80/42/1011488042.db2.gz TYUMEBBHYFQKRA-ICSRJNTNSA-N 2 2 401.942 3.672 20 0 HHADLP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(Br)c1 ZINC000540866418 1011544229 /nfs/dbraw/zinc/54/42/29/1011544229.db2.gz TUMQYNYCISAYCY-HNNXBMFYSA-N 2 2 408.340 3.970 20 0 HHADLP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1cccc(Br)c1 ZINC000540866418 1011544242 /nfs/dbraw/zinc/54/42/42/1011544242.db2.gz TUMQYNYCISAYCY-HNNXBMFYSA-N 2 2 408.340 3.970 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536450524 1011668210 /nfs/dbraw/zinc/66/82/10/1011668210.db2.gz RILTVJAFBMAITP-LEWJYISDSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536450524 1011668219 /nfs/dbraw/zinc/66/82/19/1011668219.db2.gz RILTVJAFBMAITP-LEWJYISDSA-N 2 2 402.583 3.805 20 0 HHADLP Clc1ccc(-n2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nn2)cc1Cl ZINC000541071844 1011711806 /nfs/dbraw/zinc/71/18/06/1011711806.db2.gz OVWUTFABAQHMBQ-UHFFFAOYSA-N 2 2 424.376 3.651 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116277 1011766062 /nfs/dbraw/zinc/76/60/62/1011766062.db2.gz PBEHWFSESNMEDK-SOVGHPHASA-N 2 2 414.516 3.515 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116277 1011766075 /nfs/dbraw/zinc/76/60/75/1011766075.db2.gz PBEHWFSESNMEDK-SOVGHPHASA-N 2 2 414.516 3.515 20 0 HHADLP COc1cc2c(cc1C[N@H+](C)CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)O[C@@H](C)C2 ZINC000536667082 1011819940 /nfs/dbraw/zinc/81/99/40/1011819940.db2.gz YSOJKLBPXFIOSC-IBGZPJMESA-N 3 2 415.622 3.647 20 0 HHADLP COc1cc2c(cc1C[N@@H+](C)CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)O[C@@H](C)C2 ZINC000536667082 1011819960 /nfs/dbraw/zinc/81/99/60/1011819960.db2.gz YSOJKLBPXFIOSC-IBGZPJMESA-N 3 2 415.622 3.647 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190324 1011863604 /nfs/dbraw/zinc/86/36/04/1011863604.db2.gz KKOFXJHKFQRNNN-OFNKIYASSA-N 2 2 409.578 3.920 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190324 1011863623 /nfs/dbraw/zinc/86/36/23/1011863623.db2.gz KKOFXJHKFQRNNN-OFNKIYASSA-N 2 2 409.578 3.920 20 0 HHADLP COc1ccc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)c(OC)c1 ZINC000541203208 1011872681 /nfs/dbraw/zinc/87/26/81/1011872681.db2.gz WOEWEWYYFLASGO-UHFFFAOYSA-N 2 2 411.506 3.643 20 0 HHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000551787503 1011946803 /nfs/dbraw/zinc/94/68/03/1011946803.db2.gz HUPTXPVTPNXZAQ-WUMKDDEVSA-N 2 2 410.558 3.688 20 0 HHADLP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449563 1011948157 /nfs/dbraw/zinc/94/81/57/1011948157.db2.gz NRIPEXIUMLAOIK-OFVILXPXSA-N 2 2 406.574 3.902 20 0 HHADLP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449563 1011948167 /nfs/dbraw/zinc/94/81/67/1011948167.db2.gz NRIPEXIUMLAOIK-OFVILXPXSA-N 2 2 406.574 3.902 20 0 HHADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322890 1012033961 /nfs/dbraw/zinc/03/39/61/1012033961.db2.gz WAWCBBQMBDWSCP-CYFREDJKSA-N 2 2 423.557 3.549 20 0 HHADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322890 1012033969 /nfs/dbraw/zinc/03/39/69/1012033969.db2.gz WAWCBBQMBDWSCP-CYFREDJKSA-N 2 2 423.557 3.549 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536829804 1012060314 /nfs/dbraw/zinc/06/03/14/1012060314.db2.gz AMAUXUWAUIFBMF-IBGZPJMESA-N 2 2 424.570 3.649 20 0 HHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000536842815 1012072545 /nfs/dbraw/zinc/07/25/45/1012072545.db2.gz AXZGJIMMIGFNBC-XUVXKRRUSA-N 2 2 400.485 3.750 20 0 HHADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000536861325 1012095142 /nfs/dbraw/zinc/09/51/42/1012095142.db2.gz CRZLZKZQNZIQKK-DHIUTWEWSA-N 2 2 423.605 3.673 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccs1 ZINC000541403632 1012136607 /nfs/dbraw/zinc/13/66/07/1012136607.db2.gz MYPUYWCTYFJRDQ-PKOBYXMFSA-N 2 2 400.592 3.974 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942336 1012236701 /nfs/dbraw/zinc/23/67/01/1012236701.db2.gz GHRCHULRTJOZGB-IYWMVGAKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942336 1012236723 /nfs/dbraw/zinc/23/67/23/1012236723.db2.gz GHRCHULRTJOZGB-IYWMVGAKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942336 1012236739 /nfs/dbraw/zinc/23/67/39/1012236739.db2.gz GHRCHULRTJOZGB-IYWMVGAKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942336 1012236751 /nfs/dbraw/zinc/23/67/51/1012236751.db2.gz GHRCHULRTJOZGB-IYWMVGAKSA-N 2 2 408.949 3.540 20 0 HHADLP CCC(CC)(CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000536978489 1012277127 /nfs/dbraw/zinc/27/71/27/1012277127.db2.gz OVKSXWMSXNAUSG-SFHVURJKSA-N 2 2 421.545 3.607 20 0 HHADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541532678 1012315889 /nfs/dbraw/zinc/31/58/89/1012315889.db2.gz MNSXVARAWBGJQQ-JOCHJYFZSA-N 2 2 412.553 3.953 20 0 HHADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541532678 1012315903 /nfs/dbraw/zinc/31/59/03/1012315903.db2.gz MNSXVARAWBGJQQ-JOCHJYFZSA-N 2 2 412.553 3.953 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000537018271 1012321739 /nfs/dbraw/zinc/32/17/39/1012321739.db2.gz QLMIVDBELABJDQ-QZTJIDSGSA-N 2 2 417.500 3.844 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000541564178 1012352740 /nfs/dbraw/zinc/35/27/40/1012352740.db2.gz XSGNRSOFCSOWRX-RLWLMLJZSA-N 2 2 422.617 3.833 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000523763368 1012392748 /nfs/dbraw/zinc/39/27/48/1012392748.db2.gz DCVDIZFJVXSVBU-DIMPSALBSA-N 2 2 415.541 3.867 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000523763368 1012392763 /nfs/dbraw/zinc/39/27/63/1012392763.db2.gz DCVDIZFJVXSVBU-DIMPSALBSA-N 2 2 415.541 3.867 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812533 1012488942 /nfs/dbraw/zinc/48/89/42/1012488942.db2.gz FNWKSHYHDIZNGS-VQIMIIECSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812533 1012488947 /nfs/dbraw/zinc/48/89/47/1012488947.db2.gz FNWKSHYHDIZNGS-VQIMIIECSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000537127350 1012510987 /nfs/dbraw/zinc/51/09/87/1012510987.db2.gz MENVONXLEUPAHS-HSZRJFAPSA-N 2 2 413.537 3.973 20 0 HHADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1c(Cl)cccc1Cl ZINC000552493651 1012517331 /nfs/dbraw/zinc/51/73/31/1012517331.db2.gz CPYZGXZPTUYZIN-AWEZNQCLSA-N 2 2 410.276 3.848 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000523940373 1012675029 /nfs/dbraw/zinc/67/50/29/1012675029.db2.gz JHWXSYUBCAWBQE-PMACEKPBSA-N 2 2 418.969 3.980 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537250313 1012696348 /nfs/dbraw/zinc/69/63/48/1012696348.db2.gz BZFQQTQABPACHW-PKTZIBPZSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537250313 1012696355 /nfs/dbraw/zinc/69/63/55/1012696355.db2.gz BZFQQTQABPACHW-PKTZIBPZSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537250314 1012696446 /nfs/dbraw/zinc/69/64/46/1012696446.db2.gz BZFQQTQABPACHW-XZOQPEGZSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537250314 1012696451 /nfs/dbraw/zinc/69/64/51/1012696451.db2.gz BZFQQTQABPACHW-XZOQPEGZSA-N 2 2 411.594 3.979 20 0 HHADLP c1cc2c(s1)CC[N@@H+]([C@H](CNc1cc[nH+]c(N3CCOCC3)n1)c1ccccc1)C2 ZINC000541835171 1012723066 /nfs/dbraw/zinc/72/30/66/1012723066.db2.gz SVMXQOZCLNYPPM-HXUWFJFHSA-N 2 2 421.570 3.586 20 0 HHADLP c1cc2c(s1)CC[N@H+]([C@H](CNc1cc[nH+]c(N3CCOCC3)n1)c1ccccc1)C2 ZINC000541835171 1012723082 /nfs/dbraw/zinc/72/30/82/1012723082.db2.gz SVMXQOZCLNYPPM-HXUWFJFHSA-N 2 2 421.570 3.586 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683893 1071806063 /nfs/dbraw/zinc/80/60/63/1071806063.db2.gz FNFMEJJIQBGOKV-SFTDATJTSA-N 2 2 416.949 3.880 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683893 1071806079 /nfs/dbraw/zinc/80/60/79/1071806079.db2.gz FNFMEJJIQBGOKV-SFTDATJTSA-N 2 2 416.949 3.880 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684185 1071804383 /nfs/dbraw/zinc/80/43/83/1071804383.db2.gz KSQRQOUYBBWRKL-DHIUTWEWSA-N 2 2 406.505 3.631 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684185 1071804406 /nfs/dbraw/zinc/80/44/06/1071804406.db2.gz KSQRQOUYBBWRKL-DHIUTWEWSA-N 2 2 406.505 3.631 20 0 HHADLP COc1cccc([C@H](CNC(=O)OC(C)(C)C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168372066 1072033970 /nfs/dbraw/zinc/03/39/70/1072033970.db2.gz SNICUBVSOOBYBT-NRFANRHFSA-N 2 2 403.567 3.725 20 0 HHADLP CN1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571484918 1072634165 /nfs/dbraw/zinc/63/41/65/1072634165.db2.gz GYDJJIMWDZIJSZ-RPWUZVMVSA-N 2 2 414.544 3.512 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000479428170 1072843255 /nfs/dbraw/zinc/84/32/55/1072843255.db2.gz UDVWDAJJKKDKBY-HXUWFJFHSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000479428170 1072843270 /nfs/dbraw/zinc/84/32/70/1072843270.db2.gz UDVWDAJJKKDKBY-HXUWFJFHSA-N 2 2 413.610 3.868 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000588689810 1073140411 /nfs/dbraw/zinc/14/04/11/1073140411.db2.gz RQTPNFUFBWPYQS-MAUKXSAKSA-N 2 2 407.352 3.601 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000588689810 1073140419 /nfs/dbraw/zinc/14/04/19/1073140419.db2.gz RQTPNFUFBWPYQS-MAUKXSAKSA-N 2 2 407.352 3.601 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000572157604 1073191808 /nfs/dbraw/zinc/19/18/08/1073191808.db2.gz CLMTVGYCJRGZBG-LJQANCHMSA-N 2 2 422.552 3.708 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430644 1073459620 /nfs/dbraw/zinc/45/96/20/1073459620.db2.gz LCJVMEVTUZCKCQ-VQTJNVASSA-N 2 2 421.655 3.745 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430644 1073459623 /nfs/dbraw/zinc/45/96/23/1073459623.db2.gz LCJVMEVTUZCKCQ-VQTJNVASSA-N 2 2 421.655 3.745 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555430548 1073459722 /nfs/dbraw/zinc/45/97/22/1073459722.db2.gz HEDAAWFFZSCUCU-PKTZIBPZSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555430548 1073459728 /nfs/dbraw/zinc/45/97/28/1073459728.db2.gz HEDAAWFFZSCUCU-PKTZIBPZSA-N 2 2 411.594 3.647 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590158151 1073600144 /nfs/dbraw/zinc/60/01/44/1073600144.db2.gz ZBGBNBLZFKWVBX-MJGOQNOKSA-N 2 2 401.942 3.789 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597818 1073664869 /nfs/dbraw/zinc/66/48/69/1073664869.db2.gz IFESSYSNAWAUKH-KBMIEXCESA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597818 1073664872 /nfs/dbraw/zinc/66/48/72/1073664872.db2.gz IFESSYSNAWAUKH-KBMIEXCESA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000555597818 1073664878 /nfs/dbraw/zinc/66/48/78/1073664878.db2.gz IFESSYSNAWAUKH-KBMIEXCESA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000555597818 1073664879 /nfs/dbraw/zinc/66/48/79/1073664879.db2.gz IFESSYSNAWAUKH-KBMIEXCESA-N 2 2 409.574 3.613 20 0 HHADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000555627369 1073681873 /nfs/dbraw/zinc/68/18/73/1073681873.db2.gz MUABHKVCGGIZCB-HRAATJIYSA-N 2 2 403.364 3.561 20 0 HHADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000555627369 1073681876 /nfs/dbraw/zinc/68/18/76/1073681876.db2.gz MUABHKVCGGIZCB-HRAATJIYSA-N 2 2 403.364 3.561 20 0 HHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251629 1074187685 /nfs/dbraw/zinc/18/76/85/1074187685.db2.gz KEMULTXEQLBWSD-NZQKXSOJSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251629 1074187693 /nfs/dbraw/zinc/18/76/93/1074187693.db2.gz KEMULTXEQLBWSD-NZQKXSOJSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000591522430 1074364689 /nfs/dbraw/zinc/36/46/89/1074364689.db2.gz WJUOVDZANALABG-VQTJNVASSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000591522430 1074364700 /nfs/dbraw/zinc/36/47/00/1074364700.db2.gz WJUOVDZANALABG-VQTJNVASSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523467 1074365812 /nfs/dbraw/zinc/36/58/12/1074365812.db2.gz NNAILRCLITVCOH-MOPGFXCFSA-N 2 2 402.583 3.712 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523467 1074365823 /nfs/dbraw/zinc/36/58/23/1074365823.db2.gz NNAILRCLITVCOH-MOPGFXCFSA-N 2 2 402.583 3.712 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591557735 1074406418 /nfs/dbraw/zinc/40/64/18/1074406418.db2.gz VMZPVLRIZSPZFK-XLIONFOSSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@@H](CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000591616426 1074443425 /nfs/dbraw/zinc/44/34/25/1074443425.db2.gz LVVLVALRMFWQIK-INIZCTEOSA-N 2 2 421.948 3.760 20 0 HHADLP C[C@@H](CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[N@@H+](C)C1CC1 ZINC000591616426 1074443428 /nfs/dbraw/zinc/44/34/28/1074443428.db2.gz LVVLVALRMFWQIK-INIZCTEOSA-N 2 2 421.948 3.760 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292505 1075189907 /nfs/dbraw/zinc/18/99/07/1075189907.db2.gz CQLWYSRHMGBQHC-LADGPHEKSA-N 2 2 406.505 3.907 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000593292505 1075189910 /nfs/dbraw/zinc/18/99/10/1075189910.db2.gz CQLWYSRHMGBQHC-LADGPHEKSA-N 2 2 406.505 3.907 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000761123506 1075495469 /nfs/dbraw/zinc/49/54/69/1075495469.db2.gz PEUDPPVAYSVADS-UHFFFAOYSA-N 2 2 420.601 3.783 20 0 HHADLP CN(C(=O)c1ccccc1SCc1ccco1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473044 1075618251 /nfs/dbraw/zinc/61/82/51/1075618251.db2.gz BSXSBHGJACWFDI-IBGZPJMESA-N 2 2 413.587 3.812 20 0 HHADLP CN(C(=O)c1ccccc1SCc1ccco1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473044 1075618252 /nfs/dbraw/zinc/61/82/52/1075618252.db2.gz BSXSBHGJACWFDI-IBGZPJMESA-N 2 2 413.587 3.812 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473655 1075618753 /nfs/dbraw/zinc/61/87/53/1075618753.db2.gz HEPQBXQUJASEDC-FPOVZHCZSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473655 1075618755 /nfs/dbraw/zinc/61/87/55/1075618755.db2.gz HEPQBXQUJASEDC-FPOVZHCZSA-N 2 2 401.595 3.513 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476417 1075619275 /nfs/dbraw/zinc/61/92/75/1075619275.db2.gz DOAVZQCYTOLCHG-BEFAXECRSA-N 2 2 412.405 3.799 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476417 1075619277 /nfs/dbraw/zinc/61/92/77/1075619277.db2.gz DOAVZQCYTOLCHG-BEFAXECRSA-N 2 2 412.405 3.799 20 0 HHADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477048 1075619564 /nfs/dbraw/zinc/61/95/64/1075619564.db2.gz PGLSTDRJAAZNBS-QFIPXVFZSA-N 2 2 409.574 3.626 20 0 HHADLP CN(C(=O)CCCOc1cccc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477048 1075619567 /nfs/dbraw/zinc/61/95/67/1075619567.db2.gz PGLSTDRJAAZNBS-QFIPXVFZSA-N 2 2 409.574 3.626 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479442 1075621109 /nfs/dbraw/zinc/62/11/09/1075621109.db2.gz MOKYKFIUHHPGQN-RCCFBDPRSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479442 1075621111 /nfs/dbraw/zinc/62/11/11/1075621111.db2.gz MOKYKFIUHHPGQN-RCCFBDPRSA-N 2 2 410.389 3.724 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164663387 719346090 /nfs/dbraw/zinc/34/60/90/719346090.db2.gz FROKDTRCXVIAKL-UHFFFAOYSA-N 2 2 403.530 3.785 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164663387 719346093 /nfs/dbraw/zinc/34/60/93/719346093.db2.gz FROKDTRCXVIAKL-UHFFFAOYSA-N 2 2 403.530 3.785 20 0 HHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164712510 720098095 /nfs/dbraw/zinc/09/80/95/720098095.db2.gz WKOCSDKVMXASPH-NRFANRHFSA-N 2 2 409.578 3.811 20 0 HHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164712510 720098102 /nfs/dbraw/zinc/09/81/02/720098102.db2.gz WKOCSDKVMXASPH-NRFANRHFSA-N 2 2 409.578 3.811 20 0 HHADLP CCCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC001164711306 720128611 /nfs/dbraw/zinc/12/86/11/720128611.db2.gz HDRSXLUCRSBORO-JOCHJYFZSA-N 2 2 409.578 3.640 20 0 HHADLP CCCc1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC001164711306 720128612 /nfs/dbraw/zinc/12/86/12/720128612.db2.gz HDRSXLUCRSBORO-JOCHJYFZSA-N 2 2 409.578 3.640 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2c(C)cccc12 ZINC001164826511 720295774 /nfs/dbraw/zinc/29/57/74/720295774.db2.gz VLRAPPUUBKBFOK-FGZHOGPDSA-N 2 2 406.574 3.763 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844199 720639172 /nfs/dbraw/zinc/63/91/72/720639172.db2.gz ZUWLIJILPRNQIS-NPPFBWRTSA-N 2 2 404.562 3.626 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844199 720639174 /nfs/dbraw/zinc/63/91/74/720639174.db2.gz ZUWLIJILPRNQIS-NPPFBWRTSA-N 2 2 404.562 3.626 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164841956 720703332 /nfs/dbraw/zinc/70/33/32/720703332.db2.gz KNIWOUFXBBXBKW-OAQYLSRUSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164841956 720703334 /nfs/dbraw/zinc/70/33/34/720703334.db2.gz KNIWOUFXBBXBKW-OAQYLSRUSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164841956 720703336 /nfs/dbraw/zinc/70/33/36/720703336.db2.gz KNIWOUFXBBXBKW-OAQYLSRUSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164841956 720703340 /nfs/dbraw/zinc/70/33/40/720703340.db2.gz KNIWOUFXBBXBKW-OAQYLSRUSA-N 2 2 409.578 3.583 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1N1CCCC1 ZINC001165024008 721798029 /nfs/dbraw/zinc/79/80/29/721798029.db2.gz KQMTYYCHKNCPLE-ILWGZMRPSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1N1CCCC1 ZINC001165024008 721798031 /nfs/dbraw/zinc/79/80/31/721798031.db2.gz KQMTYYCHKNCPLE-ILWGZMRPSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164939158 721920486 /nfs/dbraw/zinc/92/04/86/721920486.db2.gz SHWGGBGTBUGWMQ-UHFFFAOYSA-N 2 2 407.562 3.539 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164939158 721920488 /nfs/dbraw/zinc/92/04/88/721920488.db2.gz SHWGGBGTBUGWMQ-UHFFFAOYSA-N 2 2 407.562 3.539 20 0 HHADLP CCN(CC)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc[nH+]1 ZINC001164939596 721929043 /nfs/dbraw/zinc/92/90/43/721929043.db2.gz MVVNNMQIXPSGAC-UHFFFAOYSA-N 2 2 409.578 3.503 20 0 HHADLP CCN(CC)c1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc[nH+]1 ZINC001164939596 721929045 /nfs/dbraw/zinc/92/90/45/721929045.db2.gz MVVNNMQIXPSGAC-UHFFFAOYSA-N 2 2 409.578 3.503 20 0 HHADLP Cc1ccc(Cl)c(O[C@H]2CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)c1 ZINC001165050513 721979867 /nfs/dbraw/zinc/97/98/67/721979867.db2.gz UHYDMZFWXLDAKD-SFHVURJKSA-N 2 2 400.954 3.843 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c12 ZINC001164980620 722102578 /nfs/dbraw/zinc/10/25/78/722102578.db2.gz JTEINPNHRHNBEI-FYYLOGMGSA-N 2 2 402.542 3.974 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c12 ZINC001164980620 722102580 /nfs/dbraw/zinc/10/25/80/722102580.db2.gz JTEINPNHRHNBEI-FYYLOGMGSA-N 2 2 402.542 3.974 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000302902622 971383144 /nfs/dbraw/zinc/38/31/44/971383144.db2.gz TVPIYOOOVIEILT-JOCHJYFZSA-N 2 2 410.562 3.642 20 0 HHADLP O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303063616 971484416 /nfs/dbraw/zinc/48/44/16/971484416.db2.gz YYTCBEJYRAJHRE-UHFFFAOYSA-N 2 2 401.601 3.900 20 0 HHADLP O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303063616 971484419 /nfs/dbraw/zinc/48/44/19/971484419.db2.gz YYTCBEJYRAJHRE-UHFFFAOYSA-N 2 2 401.601 3.900 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610069 971897357 /nfs/dbraw/zinc/89/73/57/971897357.db2.gz LFSYYHIEVXUBHM-CTNGQTDRSA-N 2 2 419.585 3.625 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610069 971897359 /nfs/dbraw/zinc/89/73/59/971897359.db2.gz LFSYYHIEVXUBHM-CTNGQTDRSA-N 2 2 419.585 3.625 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542179535 1013117631 /nfs/dbraw/zinc/11/76/31/1013117631.db2.gz NJJOPMKYVRJERQ-FKBYEOEOSA-N 2 2 419.585 3.779 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542179535 1013117635 /nfs/dbraw/zinc/11/76/35/1013117635.db2.gz NJJOPMKYVRJERQ-FKBYEOEOSA-N 2 2 419.585 3.779 20 0 HHADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(OCCC)c1 ZINC000537621441 1013166778 /nfs/dbraw/zinc/16/67/78/1013166778.db2.gz QBKFAIPCKAAJOQ-NZQKXSOJSA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(OCCC)c1 ZINC000537621441 1013166787 /nfs/dbraw/zinc/16/67/87/1013166787.db2.gz QBKFAIPCKAAJOQ-NZQKXSOJSA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(OCCC)c1 ZINC000537621443 1013167949 /nfs/dbraw/zinc/16/79/49/1013167949.db2.gz QBKFAIPCKAAJOQ-REWPJTCUSA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(OCCC)c1 ZINC000537621443 1013167958 /nfs/dbraw/zinc/16/79/58/1013167958.db2.gz QBKFAIPCKAAJOQ-REWPJTCUSA-N 2 2 403.611 3.722 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303826053 972361634 /nfs/dbraw/zinc/36/16/34/972361634.db2.gz KTPVCLFGQUWGKW-IBGZPJMESA-N 2 2 421.520 3.817 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303826053 972361650 /nfs/dbraw/zinc/36/16/50/972361650.db2.gz KTPVCLFGQUWGKW-IBGZPJMESA-N 2 2 421.520 3.817 20 0 HHADLP O=C(CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000553261420 1013228434 /nfs/dbraw/zinc/22/84/34/1013228434.db2.gz APDKKNRVNGASED-UHFFFAOYSA-N 2 2 419.356 3.706 20 0 HHADLP COCCOc1cc(C)ccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000537774773 1013337539 /nfs/dbraw/zinc/33/75/39/1013337539.db2.gz RKMWPOUKXLJOHL-UHFFFAOYSA-N 2 2 417.981 3.715 20 0 HHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466079 1013413663 /nfs/dbraw/zinc/41/36/63/1013413663.db2.gz FTSGTHXBKNMJSR-MRXNPFEDSA-N 2 2 411.449 3.824 20 0 HHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000542466079 1013413667 /nfs/dbraw/zinc/41/36/67/1013413667.db2.gz FTSGTHXBKNMJSR-MRXNPFEDSA-N 2 2 411.449 3.824 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000542477376 1013424729 /nfs/dbraw/zinc/42/47/29/1013424729.db2.gz HOTYTAVLMLBNJJ-XMMPIXPASA-N 2 2 405.521 3.637 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508331 1013451961 /nfs/dbraw/zinc/45/19/61/1013451961.db2.gz UKPKCDRUDYHKPF-RBBKRZOGSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508331 1013451967 /nfs/dbraw/zinc/45/19/67/1013451967.db2.gz UKPKCDRUDYHKPF-RBBKRZOGSA-N 2 2 424.570 3.617 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529995 1013472752 /nfs/dbraw/zinc/47/27/52/1013472752.db2.gz BCAXDPBEPUYYRO-RDJZCZTQSA-N 2 2 421.607 3.723 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529995 1013472757 /nfs/dbraw/zinc/47/27/57/1013472757.db2.gz BCAXDPBEPUYYRO-RDJZCZTQSA-N 2 2 421.607 3.723 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529996 1013472943 /nfs/dbraw/zinc/47/29/43/1013472943.db2.gz BCAXDPBEPUYYRO-WBVHZDCISA-N 2 2 421.607 3.723 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529996 1013472951 /nfs/dbraw/zinc/47/29/51/1013472951.db2.gz BCAXDPBEPUYYRO-WBVHZDCISA-N 2 2 421.607 3.723 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OCC4CCCCC4)cc3)CC2)CC1 ZINC000050797100 964399730 /nfs/dbraw/zinc/39/97/30/964399730.db2.gz AZCKSNICVXHJLR-UHFFFAOYSA-N 2 2 413.606 3.934 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1 ZINC000050800354 964402109 /nfs/dbraw/zinc/40/21/09/964402109.db2.gz NXZSBGWLEPBZTG-UHFFFAOYSA-N 2 2 411.521 3.906 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(-c4ccncc4)nc4ccccc43)CC2)CC1 ZINC000050954424 964430442 /nfs/dbraw/zinc/43/04/42/964430442.db2.gz HXTPKXLTJNFUBV-UHFFFAOYSA-N 2 2 402.546 3.662 20 0 HHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](C(C)C)[NH+]3CCOCC3)c2c1C ZINC000026143691 964465733 /nfs/dbraw/zinc/46/57/33/964465733.db2.gz IPTHYYRSXPIECP-GOSISDBHSA-N 2 2 417.623 3.673 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051587742 964626825 /nfs/dbraw/zinc/62/68/25/964626825.db2.gz MMBAWXOXIRPJTJ-UHFFFAOYSA-N 2 2 400.523 3.749 20 0 HHADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc2ccccc21 ZINC000051992984 964765089 /nfs/dbraw/zinc/76/50/89/964765089.db2.gz VONXYEYMKKCVHZ-UHFFFAOYSA-N 2 2 403.526 3.743 20 0 HHADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc2ccccc21 ZINC000051992984 964765098 /nfs/dbraw/zinc/76/50/98/964765098.db2.gz VONXYEYMKKCVHZ-UHFFFAOYSA-N 2 2 403.526 3.743 20 0 HHADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)on1 ZINC000052009622 964771765 /nfs/dbraw/zinc/77/17/65/964771765.db2.gz QZMWRZYIUPAYRN-QHCPKHFHSA-N 2 2 418.541 3.618 20 0 HHADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)on1 ZINC000052009622 964771790 /nfs/dbraw/zinc/77/17/90/964771790.db2.gz QZMWRZYIUPAYRN-QHCPKHFHSA-N 2 2 418.541 3.618 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537965206 1013542166 /nfs/dbraw/zinc/54/21/66/1013542166.db2.gz ABLUKJZIVKOKJW-IBGZPJMESA-N 2 2 424.570 3.898 20 0 HHADLP c1ccc(C2CCC([NH2+][C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)CC2)cc1 ZINC000537975051 1013551135 /nfs/dbraw/zinc/55/11/35/1013551135.db2.gz AAKDDQWVASPBHX-VNXZQDSDSA-N 2 2 421.589 3.598 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054717141 965619264 /nfs/dbraw/zinc/61/92/64/965619264.db2.gz SZVAAOXJYJFWSD-OFNKIYASSA-N 2 2 417.557 3.609 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054717141 965619271 /nfs/dbraw/zinc/61/92/71/965619271.db2.gz SZVAAOXJYJFWSD-OFNKIYASSA-N 2 2 417.557 3.609 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153104 965621495 /nfs/dbraw/zinc/62/14/95/965621495.db2.gz DDVBVLFVXWELLS-NQIIRXRSSA-N 2 2 408.546 3.501 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153104 965621506 /nfs/dbraw/zinc/62/15/06/965621506.db2.gz DDVBVLFVXWELLS-NQIIRXRSSA-N 2 2 408.546 3.501 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000538043797 1013616240 /nfs/dbraw/zinc/61/62/40/1013616240.db2.gz HTKPWVFEWLQWCY-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000538043797 1013616244 /nfs/dbraw/zinc/61/62/44/1013616244.db2.gz HTKPWVFEWLQWCY-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000538044321 1013616756 /nfs/dbraw/zinc/61/67/56/1013616756.db2.gz DGYIMQWPZAMARX-IAGOWNOFSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000538046896 1013619557 /nfs/dbraw/zinc/61/95/57/1013619557.db2.gz HKJMSFXECDAIDV-IRXDYDNUSA-N 2 2 421.632 3.962 20 0 HHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661919 966415561 /nfs/dbraw/zinc/41/55/61/966415561.db2.gz OPGDDMNFJIARAR-XNTOXWQXSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661919 966415565 /nfs/dbraw/zinc/41/55/65/966415565.db2.gz OPGDDMNFJIARAR-XNTOXWQXSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661919 966415569 /nfs/dbraw/zinc/41/55/69/966415569.db2.gz OPGDDMNFJIARAR-XNTOXWQXSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661919 966415572 /nfs/dbraw/zinc/41/55/72/966415572.db2.gz OPGDDMNFJIARAR-XNTOXWQXSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542759193 1013664896 /nfs/dbraw/zinc/66/48/96/1013664896.db2.gz TXPCGZILUHFCSN-UAOJZALGSA-N 2 2 410.965 3.596 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542759193 1013664900 /nfs/dbraw/zinc/66/49/00/1013664900.db2.gz TXPCGZILUHFCSN-UAOJZALGSA-N 2 2 410.965 3.596 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254837 966632120 /nfs/dbraw/zinc/63/21/20/966632120.db2.gz MEXOFRWQVTXCQZ-NSHDSACASA-N 2 2 417.145 3.843 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000046926421 968011403 /nfs/dbraw/zinc/01/14/03/968011403.db2.gz OBWNSPZQONSHJO-OALUTQOASA-N 2 2 410.562 3.679 20 0 HHADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000554050939 1013774124 /nfs/dbraw/zinc/77/41/24/1013774124.db2.gz XWJSHWPCNPRHRH-SIKLNZKXSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000554050939 1013774131 /nfs/dbraw/zinc/77/41/31/1013774131.db2.gz XWJSHWPCNPRHRH-SIKLNZKXSA-N 2 2 414.594 3.778 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000047371749 968161832 /nfs/dbraw/zinc/16/18/32/968161832.db2.gz LFCQEYLMRCXXHV-UHFFFAOYSA-N 2 2 415.607 4.293 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047951165 968376561 /nfs/dbraw/zinc/37/65/61/968376561.db2.gz MOYXPQDWAOMCCB-FQEVSTJZSA-N 2 2 409.559 3.629 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220242 968489937 /nfs/dbraw/zinc/48/99/37/968489937.db2.gz KIATXYYNUJPZQC-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP FC(F)(F)COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000065889750 968701508 /nfs/dbraw/zinc/70/15/08/968701508.db2.gz BJIFEIPAJPPRJC-UHFFFAOYSA-N 2 2 407.480 3.930 20 0 HHADLP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000538290660 1013826475 /nfs/dbraw/zinc/82/64/75/1013826475.db2.gz MTVXTBPWQRROLI-RXVVDRJESA-N 2 2 403.530 3.906 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000115876238 969858372 /nfs/dbraw/zinc/85/83/72/969858372.db2.gz RQKIATADLBUROF-UHFFFAOYSA-N 2 2 410.493 3.662 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236627488 970148970 /nfs/dbraw/zinc/14/89/70/970148970.db2.gz XXQGHENHLUVLTR-HXUWFJFHSA-N 2 2 415.965 3.775 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000236786973 970172256 /nfs/dbraw/zinc/17/22/56/970172256.db2.gz PVTBHWMPNIIFNO-SIKLNZKXSA-N 2 2 409.574 3.536 20 0 HHADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000236786973 970172261 /nfs/dbraw/zinc/17/22/61/970172261.db2.gz PVTBHWMPNIIFNO-SIKLNZKXSA-N 2 2 409.574 3.536 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)ccn2)CC1 ZINC000237121557 970226394 /nfs/dbraw/zinc/22/63/94/970226394.db2.gz NGVQVJKTJLWOTO-UHFFFAOYSA-N 2 2 419.554 3.993 20 0 HHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000237193157 970239185 /nfs/dbraw/zinc/23/91/85/970239185.db2.gz XNULZOMQEGYZGI-UHFFFAOYSA-N 2 2 411.527 3.769 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237395080 970277046 /nfs/dbraw/zinc/27/70/46/970277046.db2.gz BJTLDONDQTYLNO-GCJKJVERSA-N 2 2 411.546 3.848 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3csc(-c4ccccc4)n3)c2)C1 ZINC000237924741 970395563 /nfs/dbraw/zinc/39/55/63/970395563.db2.gz WSROGYHGHUZJEL-OAQYLSRUSA-N 2 2 420.582 3.797 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3csc(-c4ccccc4)n3)c2)C1 ZINC000237924741 970395565 /nfs/dbraw/zinc/39/55/65/970395565.db2.gz WSROGYHGHUZJEL-OAQYLSRUSA-N 2 2 420.582 3.797 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674857 970557206 /nfs/dbraw/zinc/55/72/06/970557206.db2.gz UXDICXRRXNNVHY-KGLIPLIRSA-N 2 2 418.173 3.937 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674857 970557212 /nfs/dbraw/zinc/55/72/12/970557212.db2.gz UXDICXRRXNNVHY-KGLIPLIRSA-N 2 2 418.173 3.937 20 0 HHADLP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000255954316 970606544 /nfs/dbraw/zinc/60/65/44/970606544.db2.gz FPBDQFKXNCBFCL-FGZHOGPDSA-N 2 2 414.981 3.769 20 0 HHADLP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000255954316 970606549 /nfs/dbraw/zinc/60/65/49/970606549.db2.gz FPBDQFKXNCBFCL-FGZHOGPDSA-N 2 2 414.981 3.769 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCCc2nc3ccccc3s2)([NH+]2CCCCC2)CC1 ZINC000303971182 972559072 /nfs/dbraw/zinc/55/90/72/972559072.db2.gz SORUIGOFGLNQRC-UHFFFAOYSA-N 2 2 414.619 3.686 20 0 HHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842030 1014070902 /nfs/dbraw/zinc/07/09/02/1014070902.db2.gz CJZFYSNJRAMLLN-XMMPIXPASA-N 2 2 421.585 3.865 20 0 HHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842030 1014070907 /nfs/dbraw/zinc/07/09/07/1014070907.db2.gz CJZFYSNJRAMLLN-XMMPIXPASA-N 2 2 421.585 3.865 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000554842214 1014071104 /nfs/dbraw/zinc/07/11/04/1014071104.db2.gz SPTBZCWIVHDFAN-GOSISDBHSA-N 2 2 405.995 3.908 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000554842214 1014071118 /nfs/dbraw/zinc/07/11/18/1014071118.db2.gz SPTBZCWIVHDFAN-GOSISDBHSA-N 2 2 405.995 3.908 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[C@@H]1c1ccccc1 ZINC000409732401 973207106 /nfs/dbraw/zinc/20/71/06/973207106.db2.gz DWUIQQHRJWPLFV-BVSLBCMMSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[C@@H]1c1ccccc1 ZINC000409732401 973207118 /nfs/dbraw/zinc/20/71/18/973207118.db2.gz DWUIQQHRJWPLFV-BVSLBCMMSA-N 2 2 407.562 3.554 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752470 973228922 /nfs/dbraw/zinc/22/89/22/973228922.db2.gz IRRRYAKGHYDIDK-NWSQWKLXSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752470 973228930 /nfs/dbraw/zinc/22/89/30/973228930.db2.gz IRRRYAKGHYDIDK-NWSQWKLXSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409774436 973251895 /nfs/dbraw/zinc/25/18/95/973251895.db2.gz PGVGVOZUFNTMKR-KRWDZBQOSA-N 2 2 411.512 3.875 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000409779028 973255583 /nfs/dbraw/zinc/25/55/83/973255583.db2.gz ZSCTWRFFJQTPLY-IBGZPJMESA-N 2 2 413.541 3.509 20 0 HHADLP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425969041 974074067 /nfs/dbraw/zinc/07/40/67/974074067.db2.gz VNMIAOCSLHDZIJ-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425969041 974074076 /nfs/dbraw/zinc/07/40/76/974074076.db2.gz VNMIAOCSLHDZIJ-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccncc2)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425969041 974074088 /nfs/dbraw/zinc/07/40/88/974074088.db2.gz VNMIAOCSLHDZIJ-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccncc2)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425969041 974074099 /nfs/dbraw/zinc/07/40/99/974074099.db2.gz VNMIAOCSLHDZIJ-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425979229 974089619 /nfs/dbraw/zinc/08/96/19/974089619.db2.gz KADRZCPXZDAISC-QTJGBDASSA-N 2 2 417.557 3.584 20 0 HHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425989383 974101570 /nfs/dbraw/zinc/10/15/70/974101570.db2.gz SEIVHCUOEXPNRY-IYBDPMFKSA-N 2 2 403.368 3.752 20 0 HHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425989383 974101572 /nfs/dbraw/zinc/10/15/72/974101572.db2.gz SEIVHCUOEXPNRY-IYBDPMFKSA-N 2 2 403.368 3.752 20 0 HHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425989383 974101580 /nfs/dbraw/zinc/10/15/80/974101580.db2.gz SEIVHCUOEXPNRY-IYBDPMFKSA-N 2 2 403.368 3.752 20 0 HHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425989383 974101586 /nfs/dbraw/zinc/10/15/86/974101586.db2.gz SEIVHCUOEXPNRY-IYBDPMFKSA-N 2 2 403.368 3.752 20 0 HHADLP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)oc2c1 ZINC000426023881 974144212 /nfs/dbraw/zinc/14/42/12/974144212.db2.gz QGMPKTUDWUISEL-ICSRJNTNSA-N 2 2 421.545 3.687 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026099 974147459 /nfs/dbraw/zinc/14/74/59/974147459.db2.gz ZEPHJCCSYZGZQA-VXKWHMMOSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026099 974147466 /nfs/dbraw/zinc/14/74/66/974147466.db2.gz ZEPHJCCSYZGZQA-VXKWHMMOSA-N 2 2 414.981 3.551 20 0 HHADLP C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000426152011 974268839 /nfs/dbraw/zinc/26/88/39/974268839.db2.gz YONITAHVVZSCHA-UGKGYDQZSA-N 2 2 411.550 3.863 20 0 HHADLP C[NH+](C)CC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCCCC1 ZINC000426471468 974470286 /nfs/dbraw/zinc/47/02/86/974470286.db2.gz SSEHCPBJRAHMKW-UHFFFAOYSA-N 2 2 408.550 3.774 20 0 HHADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829144 974694952 /nfs/dbraw/zinc/69/49/52/974694952.db2.gz NOQOYEFOHKTLAR-IXDOHACOSA-N 2 2 409.521 3.503 20 0 HHADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829144 974694957 /nfs/dbraw/zinc/69/49/57/974694957.db2.gz NOQOYEFOHKTLAR-IXDOHACOSA-N 2 2 409.521 3.503 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)cc1F ZINC000427859068 975324694 /nfs/dbraw/zinc/32/46/94/975324694.db2.gz NAAKARRAAWAYSJ-SWLSCSKDSA-N 2 2 408.319 3.692 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000427887976 975333460 /nfs/dbraw/zinc/33/34/60/975333460.db2.gz CEUBCPUANUZPBU-XLIONFOSSA-N 2 2 416.591 3.550 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890192 975334769 /nfs/dbraw/zinc/33/47/69/975334769.db2.gz ZAKOBYIEXFVSGG-XXBNENTESA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890192 975334772 /nfs/dbraw/zinc/33/47/72/975334772.db2.gz ZAKOBYIEXFVSGG-XXBNENTESA-N 2 2 415.603 3.642 20 0 HHADLP CCOc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430926 975744846 /nfs/dbraw/zinc/74/48/46/975744846.db2.gz JYAKBEWMLQOITF-QHCPKHFHSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430926 975744857 /nfs/dbraw/zinc/74/48/57/975744857.db2.gz JYAKBEWMLQOITF-QHCPKHFHSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430926 975744866 /nfs/dbraw/zinc/74/48/66/975744866.db2.gz JYAKBEWMLQOITF-QHCPKHFHSA-N 2 2 420.500 3.756 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000428430926 975744875 /nfs/dbraw/zinc/74/48/75/975744875.db2.gz JYAKBEWMLQOITF-QHCPKHFHSA-N 2 2 420.500 3.756 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000428479233 975778818 /nfs/dbraw/zinc/77/88/18/975778818.db2.gz IKFFLJDXEDLMTF-UHFFFAOYSA-N 2 2 415.557 3.671 20 0 HHADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428495398 975793507 /nfs/dbraw/zinc/79/35/07/975793507.db2.gz CVNUDAFSMCSHOI-OAHLLOKOSA-N 2 2 406.518 3.880 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428635813 975937964 /nfs/dbraw/zinc/93/79/64/975937964.db2.gz HOSZXMOAFQRHTK-YKSBVNFPSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428635813 975937972 /nfs/dbraw/zinc/93/79/72/975937972.db2.gz HOSZXMOAFQRHTK-YKSBVNFPSA-N 2 2 417.557 3.784 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428841920 976127506 /nfs/dbraw/zinc/12/75/06/976127506.db2.gz RIOKMJMTBQADMD-IRLDBZIGSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428841920 976127512 /nfs/dbraw/zinc/12/75/12/976127512.db2.gz RIOKMJMTBQADMD-IRLDBZIGSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000429232514 976523893 /nfs/dbraw/zinc/52/38/93/976523893.db2.gz BFBMEHNAMLBAQD-UHFFFAOYSA-N 2 2 408.300 3.763 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000429232514 976523904 /nfs/dbraw/zinc/52/39/04/976523904.db2.gz BFBMEHNAMLBAQD-UHFFFAOYSA-N 2 2 408.300 3.763 20 0 HHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429420704 976698364 /nfs/dbraw/zinc/69/83/64/976698364.db2.gz WANZFLVBOVCFLQ-NZQKXSOJSA-N 2 2 409.574 3.847 20 0 HHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429420704 976698370 /nfs/dbraw/zinc/69/83/70/976698370.db2.gz WANZFLVBOVCFLQ-NZQKXSOJSA-N 2 2 409.574 3.847 20 0 HHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429420702 976698626 /nfs/dbraw/zinc/69/86/26/976698626.db2.gz WANZFLVBOVCFLQ-NFBKMPQASA-N 2 2 409.574 3.847 20 0 HHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429420702 976698629 /nfs/dbraw/zinc/69/86/29/976698629.db2.gz WANZFLVBOVCFLQ-NFBKMPQASA-N 2 2 409.574 3.847 20 0 HHADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429422723 976700509 /nfs/dbraw/zinc/70/05/09/976700509.db2.gz HYGYVSDEVFLFNH-PKTZIBPZSA-N 2 2 412.574 3.906 20 0 HHADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429422723 976700519 /nfs/dbraw/zinc/70/05/19/976700519.db2.gz HYGYVSDEVFLFNH-PKTZIBPZSA-N 2 2 412.574 3.906 20 0 HHADLP c1ccc(C[N@H+]2C[C@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712178 /nfs/dbraw/zinc/71/21/78/976712178.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712187 /nfs/dbraw/zinc/71/21/87/976712187.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712194 /nfs/dbraw/zinc/71/21/94/976712194.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432422 976712201 /nfs/dbraw/zinc/71/22/01/976712201.db2.gz XCIBUANHKBOJOD-FPCALVHFSA-N 3 2 419.613 3.778 20 0 HHADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429701248 976994024 /nfs/dbraw/zinc/99/40/24/976994024.db2.gz TZGILAYEEYHIHL-DEOSSOPVSA-N 2 2 422.573 3.564 20 0 HHADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429701248 976994036 /nfs/dbraw/zinc/99/40/36/976994036.db2.gz TZGILAYEEYHIHL-DEOSSOPVSA-N 2 2 422.573 3.564 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797419 977073746 /nfs/dbraw/zinc/07/37/46/977073746.db2.gz BCQURCTZCAQRAG-VJBMBRPKSA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797419 977073761 /nfs/dbraw/zinc/07/37/61/977073761.db2.gz BCQURCTZCAQRAG-VJBMBRPKSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797419 977073774 /nfs/dbraw/zinc/07/37/74/977073774.db2.gz BCQURCTZCAQRAG-VJBMBRPKSA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797419 977073785 /nfs/dbraw/zinc/07/37/85/977073785.db2.gz BCQURCTZCAQRAG-VJBMBRPKSA-N 2 2 401.595 3.801 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000430441736 977552384 /nfs/dbraw/zinc/55/23/84/977552384.db2.gz XUWJFOPPFGCQGF-LJQANCHMSA-N 2 2 417.985 3.869 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430864214 977824389 /nfs/dbraw/zinc/82/43/89/977824389.db2.gz JNDARAZPPYSIBN-UHFFFAOYSA-N 2 2 417.985 3.870 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000430913325 977882146 /nfs/dbraw/zinc/88/21/46/977882146.db2.gz UFGINFIFPFZXJO-KRWDZBQOSA-N 2 2 422.451 3.508 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000430913325 977882152 /nfs/dbraw/zinc/88/21/52/977882152.db2.gz UFGINFIFPFZXJO-KRWDZBQOSA-N 2 2 422.451 3.508 20 0 HHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914107 977883001 /nfs/dbraw/zinc/88/30/01/977883001.db2.gz IBXOAJFQYBVICF-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914107 977883011 /nfs/dbraw/zinc/88/30/11/977883011.db2.gz IBXOAJFQYBVICF-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430917070 977884419 /nfs/dbraw/zinc/88/44/19/977884419.db2.gz JCSQRBXXUWIYMY-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430917070 977884428 /nfs/dbraw/zinc/88/44/28/977884428.db2.gz JCSQRBXXUWIYMY-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430936703 977900605 /nfs/dbraw/zinc/90/06/05/977900605.db2.gz WAIKMRBORUVMPY-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430936703 977900609 /nfs/dbraw/zinc/90/06/09/977900609.db2.gz WAIKMRBORUVMPY-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP C[C@@H](CC[NH+]1CCC(Oc2ccccn2)CC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000431612542 978384463 /nfs/dbraw/zinc/38/44/63/978384463.db2.gz XYALBJQJAAVKAF-FQEVSTJZSA-N 2 2 410.562 3.642 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431874694 978568570 /nfs/dbraw/zinc/56/85/70/978568570.db2.gz FLRHHBXNIBTHPM-VXKWHMMOSA-N 2 2 411.594 3.674 20 0 HHADLP O=S(=O)(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433130707 979088889 /nfs/dbraw/zinc/08/88/89/979088889.db2.gz SJPJIWKYCYTAMQ-UHFFFAOYSA-N 2 2 416.562 3.588 20 0 HHADLP O=S(=O)(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000433130707 979088898 /nfs/dbraw/zinc/08/88/98/979088898.db2.gz SJPJIWKYCYTAMQ-UHFFFAOYSA-N 2 2 416.562 3.588 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000433937520 979696062 /nfs/dbraw/zinc/69/60/62/979696062.db2.gz VNJIAETVNWFSIJ-UHFFFAOYSA-N 2 2 401.599 3.621 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(F)c1 ZINC000433987563 979736766 /nfs/dbraw/zinc/73/67/66/979736766.db2.gz GWVYBBHYCQESTM-NRFANRHFSA-N 2 2 413.541 3.550 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000434090974 979839611 /nfs/dbraw/zinc/83/96/11/979839611.db2.gz BJAOGOGTBCFOIV-FQEVSTJZSA-N 2 2 413.566 3.785 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@@H+]1Cc1ccccc1 ZINC000434288491 980049093 /nfs/dbraw/zinc/04/90/93/980049093.db2.gz RFMDMKZQJRWNMF-SIKLNZKXSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@H+]1Cc1ccccc1 ZINC000434288491 980049096 /nfs/dbraw/zinc/04/90/96/980049096.db2.gz RFMDMKZQJRWNMF-SIKLNZKXSA-N 2 2 421.589 3.771 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000434288552 980049340 /nfs/dbraw/zinc/04/93/40/980049340.db2.gz OQQSMYSFEGEOOO-YADHBBJMSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@@H]1c1ccccc1 ZINC000434288552 980049352 /nfs/dbraw/zinc/04/93/52/980049352.db2.gz OQQSMYSFEGEOOO-YADHBBJMSA-N 2 2 407.562 3.554 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000435001862 980562064 /nfs/dbraw/zinc/56/20/64/980562064.db2.gz WWJPJQKGLXGPDE-XMMPIXPASA-N 2 2 406.505 3.976 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c2cccs2)CC1 ZINC000435577123 980947672 /nfs/dbraw/zinc/94/76/72/980947672.db2.gz DJMFHPSQWNTMGW-LJQANCHMSA-N 2 2 401.580 3.833 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000436584296 981460019 /nfs/dbraw/zinc/46/00/19/981460019.db2.gz MHKCTNGBFWCTDE-UHFFFAOYSA-N 2 2 401.595 3.784 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448234784 981644290 /nfs/dbraw/zinc/64/42/90/981644290.db2.gz RELSSLXBFYSIJT-VQIMIIECSA-N 2 2 403.596 3.610 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448234784 981644292 /nfs/dbraw/zinc/64/42/92/981644292.db2.gz RELSSLXBFYSIJT-VQIMIIECSA-N 2 2 403.596 3.610 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000448246270 981651792 /nfs/dbraw/zinc/65/17/92/981651792.db2.gz AROFCJXHVJJOLD-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000448246270 981651794 /nfs/dbraw/zinc/65/17/94/981651794.db2.gz AROFCJXHVJJOLD-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000460108073 981884100 /nfs/dbraw/zinc/88/41/00/981884100.db2.gz ARAALLUNTCFCRO-UHFFFAOYSA-N 2 2 401.530 3.809 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460110661 981885708 /nfs/dbraw/zinc/88/57/08/981885708.db2.gz MRKAJJSNSSOTFO-PKTZIBPZSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460110661 981885713 /nfs/dbraw/zinc/88/57/13/981885713.db2.gz MRKAJJSNSSOTFO-PKTZIBPZSA-N 2 2 415.541 3.536 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557082 982189208 /nfs/dbraw/zinc/18/92/08/982189208.db2.gz JWHGLCUXBDKAIN-AEFFLSMTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)n2)C1 ZINC000437557082 982189213 /nfs/dbraw/zinc/18/92/13/982189213.db2.gz JWHGLCUXBDKAIN-AEFFLSMTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)n2)C1 ZINC000437557082 982189215 /nfs/dbraw/zinc/18/92/15/982189215.db2.gz JWHGLCUXBDKAIN-AEFFLSMTSA-N 2 2 405.612 3.761 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)n2)C1 ZINC000437557082 982189216 /nfs/dbraw/zinc/18/92/16/982189216.db2.gz JWHGLCUXBDKAIN-AEFFLSMTSA-N 2 2 405.612 3.761 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCOc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460482374 982274439 /nfs/dbraw/zinc/27/44/39/982274439.db2.gz DGEZIQYTUFKPJA-UHFFFAOYSA-N 2 2 409.574 3.675 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(Sc3ccccn3)cc2)([NH+]2CCCCC2)CC1 ZINC000460486289 982277383 /nfs/dbraw/zinc/27/73/83/982277383.db2.gz BKDIEBDJOLADIP-UHFFFAOYSA-N 2 2 424.614 3.913 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H](Oc2ccccc2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460492006 982281649 /nfs/dbraw/zinc/28/16/49/982281649.db2.gz OXLKSFFTKMJYGE-XMMPIXPASA-N 2 2 421.585 3.873 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)c3cccnc23)([NH+]2CCCCC2)CC1 ZINC000460504511 982293687 /nfs/dbraw/zinc/29/36/87/982293687.db2.gz PFZJGVCLSKVTON-UHFFFAOYSA-N 2 2 400.954 3.568 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1Cl ZINC000437702831 982307059 /nfs/dbraw/zinc/30/70/59/982307059.db2.gz NSBAUOYVRKNCFJ-FQEVSTJZSA-N 2 2 405.974 3.960 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cn2c1 ZINC000437869368 982423575 /nfs/dbraw/zinc/42/35/75/982423575.db2.gz RSKNJVDZVUTEPB-HXUWFJFHSA-N 2 2 400.592 3.789 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cn2c1 ZINC000437869368 982423578 /nfs/dbraw/zinc/42/35/78/982423578.db2.gz RSKNJVDZVUTEPB-HXUWFJFHSA-N 2 2 400.592 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000437964772 982493545 /nfs/dbraw/zinc/49/35/45/982493545.db2.gz QGMAXMIPEBKWDU-FXAWDEMLSA-N 2 2 422.976 3.585 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000438443415 982796218 /nfs/dbraw/zinc/79/62/18/982796218.db2.gz LNZUPMGGXXJVLO-LUGTWXOSSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438443415 982796221 /nfs/dbraw/zinc/79/62/21/982796221.db2.gz LNZUPMGGXXJVLO-LUGTWXOSSA-N 2 2 412.622 3.911 20 0 HHADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322882 983365024 /nfs/dbraw/zinc/36/50/24/983365024.db2.gz QCKMQNSNRXTUBB-NFBKMPQASA-N 2 2 407.558 3.725 20 0 HHADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322882 983365028 /nfs/dbraw/zinc/36/50/28/983365028.db2.gz QCKMQNSNRXTUBB-NFBKMPQASA-N 2 2 407.558 3.725 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000439653697 983485234 /nfs/dbraw/zinc/48/52/34/983485234.db2.gz ZNDRGQBVDZZVSB-SFHVURJKSA-N 2 2 413.587 3.865 20 0 HHADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000439997307 983610429 /nfs/dbraw/zinc/61/04/29/983610429.db2.gz HZMFHJMHVKREBN-QGZVFWFLSA-N 2 2 421.372 3.877 20 0 HHADLP CC[N@H+](CC(=O)N(C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440696261 983857329 /nfs/dbraw/zinc/85/73/29/983857329.db2.gz IQNYSPVHVUXSAC-UHFFFAOYSA-N 2 2 415.626 3.990 20 0 HHADLP CC[N@@H+](CC(=O)N(C)C1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440696261 983857340 /nfs/dbraw/zinc/85/73/40/983857340.db2.gz IQNYSPVHVUXSAC-UHFFFAOYSA-N 2 2 415.626 3.990 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(C)c1 ZINC000440805468 983914303 /nfs/dbraw/zinc/91/43/03/983914303.db2.gz PMBHOAKGAZRPEF-QHCPKHFHSA-N 2 2 423.536 3.941 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000440874362 983946105 /nfs/dbraw/zinc/94/61/05/983946105.db2.gz CCRSAUKJEQFHPT-QHCPKHFHSA-N 2 2 409.578 3.947 20 0 HHADLP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334790 984191490 /nfs/dbraw/zinc/19/14/90/984191490.db2.gz XKHUHUZVLBNWQZ-DHIUTWEWSA-N 2 2 406.574 3.697 20 0 HHADLP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334790 984191494 /nfs/dbraw/zinc/19/14/94/984191494.db2.gz XKHUHUZVLBNWQZ-DHIUTWEWSA-N 2 2 406.574 3.697 20 0 HHADLP Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441337368 984192862 /nfs/dbraw/zinc/19/28/62/984192862.db2.gz IXGDPQZTKZJMMJ-UHFFFAOYSA-N 2 2 409.574 3.675 20 0 HHADLP Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441337368 984192867 /nfs/dbraw/zinc/19/28/67/984192867.db2.gz IXGDPQZTKZJMMJ-UHFFFAOYSA-N 2 2 409.574 3.675 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000441374993 984216939 /nfs/dbraw/zinc/21/69/39/984216939.db2.gz HEOJYWYRNRRCEO-AUSIDOKSSA-N 2 2 408.521 3.717 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c(C)c1 ZINC000441382174 984221256 /nfs/dbraw/zinc/22/12/56/984221256.db2.gz IYLCKBULSKVMNV-NHCUHLMSSA-N 2 2 410.468 3.915 20 0 HHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441383463 984221733 /nfs/dbraw/zinc/22/17/33/984221733.db2.gz PNDOZHISPNATIS-GCJKJVERSA-N 2 2 422.529 3.875 20 0 HHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441383468 984221888 /nfs/dbraw/zinc/22/18/88/984221888.db2.gz PNDOZHISPNATIS-XMSQKQJNSA-N 2 2 422.529 3.875 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395936 984229018 /nfs/dbraw/zinc/22/90/18/984229018.db2.gz PTEZHXKINREUBW-ZOCZFRKYSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441395936 984229021 /nfs/dbraw/zinc/22/90/21/984229021.db2.gz PTEZHXKINREUBW-ZOCZFRKYSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395936 984229024 /nfs/dbraw/zinc/22/90/24/984229024.db2.gz PTEZHXKINREUBW-ZOCZFRKYSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441395936 984229028 /nfs/dbraw/zinc/22/90/28/984229028.db2.gz PTEZHXKINREUBW-ZOCZFRKYSA-N 2 2 407.961 3.775 20 0 HHADLP CC[C@H]1CCc2nc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)sc2C1 ZINC000441905675 984529683 /nfs/dbraw/zinc/52/96/83/984529683.db2.gz BEBAZDUPXNJZAC-KRWDZBQOSA-N 2 2 419.639 3.730 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462057537 985030894 /nfs/dbraw/zinc/03/08/94/985030894.db2.gz KNOHADDUHRHBHS-IBGZPJMESA-N 2 2 416.953 3.708 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462057537 985030908 /nfs/dbraw/zinc/03/09/08/985030908.db2.gz KNOHADDUHRHBHS-IBGZPJMESA-N 2 2 416.953 3.708 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442873893 985254803 /nfs/dbraw/zinc/25/48/03/985254803.db2.gz AGXVZHCGAAKQJW-KRWDZBQOSA-N 2 2 408.340 3.644 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442873893 985254809 /nfs/dbraw/zinc/25/48/09/985254809.db2.gz AGXVZHCGAAKQJW-KRWDZBQOSA-N 2 2 408.340 3.644 20 0 HHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889313 985262110 /nfs/dbraw/zinc/26/21/10/985262110.db2.gz DRGQYTGDBCIYIH-ROUUACIJSA-N 2 2 411.384 3.923 20 0 HHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889313 985262123 /nfs/dbraw/zinc/26/21/23/985262123.db2.gz DRGQYTGDBCIYIH-ROUUACIJSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889313 985262134 /nfs/dbraw/zinc/26/21/34/985262134.db2.gz DRGQYTGDBCIYIH-ROUUACIJSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889313 985262143 /nfs/dbraw/zinc/26/21/43/985262143.db2.gz DRGQYTGDBCIYIH-ROUUACIJSA-N 2 2 411.384 3.923 20 0 HHADLP CC1(C)C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC2(CCCC2)O1 ZINC000443330482 985499038 /nfs/dbraw/zinc/49/90/38/985499038.db2.gz UKQLNXOYBOJMJI-UHFFFAOYSA-N 2 2 417.619 3.598 20 0 HHADLP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC2(CCCC2)O1 ZINC000443330482 985499045 /nfs/dbraw/zinc/49/90/45/985499045.db2.gz UKQLNXOYBOJMJI-UHFFFAOYSA-N 2 2 417.619 3.598 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1c1ccc(F)c(F)c1 ZINC000462585923 985531938 /nfs/dbraw/zinc/53/19/38/985531938.db2.gz BMRGPMAPHJBCCM-TZIWHRDSSA-N 2 2 418.488 3.502 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1c1ccc(F)c(F)c1 ZINC000462585923 985531944 /nfs/dbraw/zinc/53/19/44/985531944.db2.gz BMRGPMAPHJBCCM-TZIWHRDSSA-N 2 2 418.488 3.502 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740483 985682030 /nfs/dbraw/zinc/68/20/30/985682030.db2.gz BMDGIGFWWAOHOH-NRFANRHFSA-N 2 2 409.578 3.663 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740483 985682034 /nfs/dbraw/zinc/68/20/34/985682034.db2.gz BMDGIGFWWAOHOH-NRFANRHFSA-N 2 2 409.578 3.663 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1csc(-c2ccccc2F)n1 ZINC000462802443 985735038 /nfs/dbraw/zinc/73/50/38/985735038.db2.gz GMPVFMYIJIOQRW-INIZCTEOSA-N 2 2 411.550 3.947 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468259258 985960734 /nfs/dbraw/zinc/96/07/34/985960734.db2.gz GGXVKKHZMRCUFM-OFAXGOBFSA-N 2 2 422.960 3.957 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468259258 985960741 /nfs/dbraw/zinc/96/07/41/985960741.db2.gz GGXVKKHZMRCUFM-OFAXGOBFSA-N 2 2 422.960 3.957 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4cccc(Cl)c4Cl)CC3)cn2)CC1 ZINC000463032938 985992474 /nfs/dbraw/zinc/99/24/74/985992474.db2.gz ZNYOXMUZOIAFPX-UHFFFAOYSA-N 2 2 420.388 3.915 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463070260 986026147 /nfs/dbraw/zinc/02/61/47/986026147.db2.gz SBHZTKHIIIZAGO-DHLKQENFSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463070260 986026162 /nfs/dbraw/zinc/02/61/62/986026162.db2.gz SBHZTKHIIIZAGO-DHLKQENFSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077058 986034405 /nfs/dbraw/zinc/03/44/05/986034405.db2.gz MFDPAVITWIWUHI-DHLKQENFSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077058 986034415 /nfs/dbraw/zinc/03/44/15/986034415.db2.gz MFDPAVITWIWUHI-DHLKQENFSA-N 2 2 423.601 3.540 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000463147456 986117723 /nfs/dbraw/zinc/11/77/23/986117723.db2.gz VVHJPKJPKOZRAN-UHFFFAOYSA-N 3 2 420.645 3.621 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000468477690 986172821 /nfs/dbraw/zinc/17/28/21/986172821.db2.gz DLZCXJBNRLPIRP-NRFANRHFSA-N 2 2 416.525 3.899 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cc(F)ccc3N3CCOCC3)CC2)cc1 ZINC000463204444 986176915 /nfs/dbraw/zinc/17/69/15/986176915.db2.gz JSXBSZFJQBLWPQ-UHFFFAOYSA-N 2 2 415.528 3.598 20 0 HHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000463204927 986177122 /nfs/dbraw/zinc/17/71/22/986177122.db2.gz UEDRLOJDQIPVTD-UHFFFAOYSA-N 2 2 409.456 3.840 20 0 HHADLP O[C@@H]1CCC[C@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC000463238714 986207563 /nfs/dbraw/zinc/20/75/63/986207563.db2.gz QKJOBDCEWOQPBR-WOJBJXKFSA-N 2 2 402.476 3.906 20 0 HHADLP Cc1ccc(-c2cccc(CNC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC000468523437 986228651 /nfs/dbraw/zinc/22/86/51/986228651.db2.gz MABXWPJFERMGMS-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP Cc1ccc(-c2cccc(CNC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC000468523437 986228665 /nfs/dbraw/zinc/22/86/65/986228665.db2.gz MABXWPJFERMGMS-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444050510 986249987 /nfs/dbraw/zinc/24/99/87/986249987.db2.gz IZFYKFUMGVKUEC-ZRCGQRJVSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444050510 986250000 /nfs/dbraw/zinc/25/00/00/986250000.db2.gz IZFYKFUMGVKUEC-ZRCGQRJVSA-N 2 2 423.605 3.987 20 0 HHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463295399 986263267 /nfs/dbraw/zinc/26/32/67/986263267.db2.gz KFSJZRGGOKZCDP-UHFFFAOYSA-N 2 2 405.178 3.710 20 0 HHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463295399 986263280 /nfs/dbraw/zinc/26/32/80/986263280.db2.gz KFSJZRGGOKZCDP-UHFFFAOYSA-N 2 2 405.178 3.710 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191940 986370505 /nfs/dbraw/zinc/37/05/05/986370505.db2.gz OYKAKIQKBVYQCX-UGKGYDQZSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191940 986370520 /nfs/dbraw/zinc/37/05/20/986370520.db2.gz OYKAKIQKBVYQCX-UGKGYDQZSA-N 2 2 409.578 3.741 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000444339219 986518003 /nfs/dbraw/zinc/51/80/03/986518003.db2.gz PDQZHWKKWTUQLO-SFHVURJKSA-N 2 2 418.545 3.601 20 0 HHADLP CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000469003188 986708466 /nfs/dbraw/zinc/70/84/66/986708466.db2.gz PCOWDNZFCCSSCN-XMMPIXPASA-N 2 2 409.574 3.801 20 0 HHADLP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000469003188 986708476 /nfs/dbraw/zinc/70/84/76/986708476.db2.gz PCOWDNZFCCSSCN-XMMPIXPASA-N 2 2 409.574 3.801 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000444569426 986761652 /nfs/dbraw/zinc/76/16/52/986761652.db2.gz FELACUXVIAUCEC-SFHVURJKSA-N 2 2 418.545 3.601 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000444596338 986783760 /nfs/dbraw/zinc/78/37/60/986783760.db2.gz WZRFMKWEYIWIGI-GOSISDBHSA-N 2 2 418.545 3.913 20 0 HHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000469093236 986806749 /nfs/dbraw/zinc/80/67/49/986806749.db2.gz WPWBIJIULRJDEL-UHFFFAOYSA-N 2 2 412.578 3.821 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2cccs2)CC1 ZINC000469143686 986865674 /nfs/dbraw/zinc/86/56/74/986865674.db2.gz DFXVJDIJSPARGW-VQTJNVASSA-N 2 2 414.575 3.779 20 0 HHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794036 986949066 /nfs/dbraw/zinc/94/90/66/986949066.db2.gz IWPSSWOGADTAGI-KNQAVFIVSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794036 986949071 /nfs/dbraw/zinc/94/90/71/986949071.db2.gz IWPSSWOGADTAGI-KNQAVFIVSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000469381014 987077181 /nfs/dbraw/zinc/07/71/81/987077181.db2.gz JEYJUVWAUXCMIZ-LMNJBCLMSA-N 2 2 420.479 3.747 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000469381014 987077199 /nfs/dbraw/zinc/07/71/99/987077199.db2.gz JEYJUVWAUXCMIZ-LMNJBCLMSA-N 2 2 420.479 3.747 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011553 987142950 /nfs/dbraw/zinc/14/29/50/987142950.db2.gz MXMRDSWTDBMKFY-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011553 987142954 /nfs/dbraw/zinc/14/29/54/987142954.db2.gz MXMRDSWTDBMKFY-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP Cc1ccccc1C[C@@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000445140210 987236884 /nfs/dbraw/zinc/23/68/84/987236884.db2.gz OLPJUHUHINGSIJ-OAQYLSRUSA-N 2 2 400.611 3.518 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000469761331 987415160 /nfs/dbraw/zinc/41/51/60/987415160.db2.gz AXIOLKVTXZHVQD-WTIAFYNJSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000469761331 987415164 /nfs/dbraw/zinc/41/51/64/987415164.db2.gz AXIOLKVTXZHVQD-WTIAFYNJSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000469775266 987424987 /nfs/dbraw/zinc/42/49/87/987424987.db2.gz JXNMTNZWUCRVNP-WMZHIEFXSA-N 2 2 421.545 3.901 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000469775266 987424990 /nfs/dbraw/zinc/42/49/90/987424990.db2.gz JXNMTNZWUCRVNP-WMZHIEFXSA-N 2 2 421.545 3.901 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470296414 988255915 /nfs/dbraw/zinc/25/59/15/988255915.db2.gz LYLIPAUGZVKWMK-KRWDZBQOSA-N 2 2 409.456 3.620 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464318576 988451115 /nfs/dbraw/zinc/45/11/15/988451115.db2.gz MLZWWRUUWVZFEG-RPWUZVMVSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464318576 988451136 /nfs/dbraw/zinc/45/11/36/988451136.db2.gz MLZWWRUUWVZFEG-RPWUZVMVSA-N 2 2 421.589 3.553 20 0 HHADLP CC(C)[NH+](CCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000470478886 988468363 /nfs/dbraw/zinc/46/83/63/988468363.db2.gz YERNUDGRAMMDOT-PMACEKPBSA-N 2 2 404.599 3.926 20 0 HHADLP CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470735784 988770411 /nfs/dbraw/zinc/77/04/11/988770411.db2.gz ZZRRBCDXSOBQBQ-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470735784 988770416 /nfs/dbraw/zinc/77/04/16/988770416.db2.gz ZZRRBCDXSOBQBQ-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470751324 988792635 /nfs/dbraw/zinc/79/26/35/988792635.db2.gz JTEWXWQUAQKOCS-HSZRJFAPSA-N 2 2 421.589 3.878 20 0 HHADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470751324 988792643 /nfs/dbraw/zinc/79/26/43/988792643.db2.gz JTEWXWQUAQKOCS-HSZRJFAPSA-N 2 2 421.589 3.878 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000464783348 989012344 /nfs/dbraw/zinc/01/23/44/989012344.db2.gz JSPFJKZGSBWWRA-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000464783348 989012354 /nfs/dbraw/zinc/01/23/54/989012354.db2.gz JSPFJKZGSBWWRA-HZPDHXFCSA-N 2 2 401.624 3.605 20 0 HHADLP CC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812727 989047838 /nfs/dbraw/zinc/04/78/38/989047838.db2.gz VQAFPUXOLAXNPX-UHFFFAOYSA-N 2 2 406.574 3.816 20 0 HHADLP CC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812727 989047850 /nfs/dbraw/zinc/04/78/50/989047850.db2.gz VQAFPUXOLAXNPX-UHFFFAOYSA-N 2 2 406.574 3.816 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000464980064 989282513 /nfs/dbraw/zinc/28/25/13/989282513.db2.gz JTTYCJHYAIXRIV-OAQYLSRUSA-N 2 2 422.598 3.856 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000464980064 989282522 /nfs/dbraw/zinc/28/25/22/989282522.db2.gz JTTYCJHYAIXRIV-OAQYLSRUSA-N 2 2 422.598 3.856 20 0 HHADLP C[N@H+](CCC(=O)Nc1ccccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174255 989301477 /nfs/dbraw/zinc/30/14/77/989301477.db2.gz YTXXIXBWHAAHIY-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174255 989301514 /nfs/dbraw/zinc/30/15/14/989301514.db2.gz YTXXIXBWHAAHIY-UHFFFAOYSA-N 2 2 400.954 3.703 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000471175383 989303968 /nfs/dbraw/zinc/30/39/68/989303968.db2.gz DHHVZSVDPUDCGQ-HSZRJFAPSA-N 2 2 402.542 3.861 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000471175383 989303974 /nfs/dbraw/zinc/30/39/74/989303974.db2.gz DHHVZSVDPUDCGQ-HSZRJFAPSA-N 2 2 402.542 3.861 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232777 989378495 /nfs/dbraw/zinc/37/84/95/989378495.db2.gz CMHFWGVGFITAKY-BPXKWBHBSA-N 2 2 403.567 3.755 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232777 989378508 /nfs/dbraw/zinc/37/85/08/989378508.db2.gz CMHFWGVGFITAKY-BPXKWBHBSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232777 989378516 /nfs/dbraw/zinc/37/85/16/989378516.db2.gz CMHFWGVGFITAKY-BPXKWBHBSA-N 2 2 403.567 3.755 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471232777 989378524 /nfs/dbraw/zinc/37/85/24/989378524.db2.gz CMHFWGVGFITAKY-BPXKWBHBSA-N 2 2 403.567 3.755 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000465437382 989782523 /nfs/dbraw/zinc/78/25/23/989782523.db2.gz WFNHJBLBOXQDRR-JOCHJYFZSA-N 2 2 409.578 3.523 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465511432 989861959 /nfs/dbraw/zinc/86/19/59/989861959.db2.gz DWKHMGHIMFCEOX-XMMPIXPASA-N 2 2 417.557 3.595 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465511432 989861971 /nfs/dbraw/zinc/86/19/71/989861971.db2.gz DWKHMGHIMFCEOX-XMMPIXPASA-N 2 2 417.557 3.595 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccsc1 ZINC000465532191 989892076 /nfs/dbraw/zinc/89/20/76/989892076.db2.gz TXRBNSHJLDNNAQ-FQEVSTJZSA-N 2 2 415.607 3.803 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccs1 ZINC000465570909 989939360 /nfs/dbraw/zinc/93/93/60/989939360.db2.gz LSTDFEVIGGPRKZ-RXVVDRJESA-N 2 2 413.591 3.626 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccs1 ZINC000465570909 989939366 /nfs/dbraw/zinc/93/93/66/989939366.db2.gz LSTDFEVIGGPRKZ-RXVVDRJESA-N 2 2 413.591 3.626 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465737431 990122699 /nfs/dbraw/zinc/12/26/99/990122699.db2.gz NDTNQTXCRSOJPD-NRFANRHFSA-N 2 2 403.530 3.536 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465737431 990122702 /nfs/dbraw/zinc/12/27/02/990122702.db2.gz NDTNQTXCRSOJPD-NRFANRHFSA-N 2 2 403.530 3.536 20 0 HHADLP C[C@@H]1C[C@H]1[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819687 990203080 /nfs/dbraw/zinc/20/30/80/990203080.db2.gz WARPVXHSEHAGAQ-HVETUWLQSA-N 2 2 419.013 3.895 20 0 HHADLP CCC[C@@H](CCc1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465825376 990208606 /nfs/dbraw/zinc/20/86/06/990208606.db2.gz DUJPZEPZYCTMBO-NRFANRHFSA-N 2 2 400.611 3.646 20 0 HHADLP CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465827129 990211119 /nfs/dbraw/zinc/21/11/19/990211119.db2.gz UQUXLUNTBLACNR-QHCPKHFHSA-N 2 2 414.638 3.906 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472048984 990216287 /nfs/dbraw/zinc/21/62/87/990216287.db2.gz OIGLFJAMLRYIND-WOJBJXKFSA-N 2 2 410.965 3.742 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472048984 990216288 /nfs/dbraw/zinc/21/62/88/990216288.db2.gz OIGLFJAMLRYIND-WOJBJXKFSA-N 2 2 410.965 3.742 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1c1cccs1 ZINC000466074820 991247576 /nfs/dbraw/zinc/24/75/76/991247576.db2.gz GWRWYJPGOGSCOG-XLIONFOSSA-N 2 2 418.632 3.720 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1c1cccs1 ZINC000466074820 991247590 /nfs/dbraw/zinc/24/75/90/991247590.db2.gz GWRWYJPGOGSCOG-XLIONFOSSA-N 2 2 418.632 3.720 20 0 HHADLP CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466136599 991316772 /nfs/dbraw/zinc/31/67/72/991316772.db2.gz DHMBFOJEWILQDD-QFIPXVFZSA-N 2 2 418.601 3.642 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC3(CCC3)c3c2cccc3F)([NH+]2CCCCC2)CC1 ZINC000466141851 991323943 /nfs/dbraw/zinc/32/39/43/991323943.db2.gz IVWZUSGOLDEZPB-UHFFFAOYSA-N 2 2 414.569 3.727 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(-c3nccs3)c2)([NH+]2CCCCC2)CC1 ZINC000466153624 991339505 /nfs/dbraw/zinc/33/95/05/991339505.db2.gz KZFZHMJNIVMFNH-UHFFFAOYSA-N 2 2 413.591 3.882 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000466301016 991552966 /nfs/dbraw/zinc/55/29/66/991552966.db2.gz XSWNUDKMJWSMSM-KNKQGSTJSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000466301016 991552979 /nfs/dbraw/zinc/55/29/79/991552979.db2.gz XSWNUDKMJWSMSM-KNKQGSTJSA-N 2 2 414.594 3.682 20 0 HHADLP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1I ZINC000467380844 992697290 /nfs/dbraw/zinc/69/72/90/992697290.db2.gz HGULLICWKGYVTL-UHFFFAOYSA-N 2 2 407.299 3.753 20 0 HHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000467412950 992717005 /nfs/dbraw/zinc/71/70/05/992717005.db2.gz UZOTXVJZJRHNHJ-NRFANRHFSA-N 2 2 414.571 3.733 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483591 992772751 /nfs/dbraw/zinc/77/27/51/992772751.db2.gz PJAVOJVRUXJQTJ-NMMYMHLASA-N 2 2 422.573 3.864 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483591 992772762 /nfs/dbraw/zinc/77/27/62/992772762.db2.gz PJAVOJVRUXJQTJ-NMMYMHLASA-N 2 2 422.573 3.864 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000467615677 992880999 /nfs/dbraw/zinc/88/09/99/992880999.db2.gz WMPKYHWEVRTDTR-KIZRIRGWSA-N 2 2 414.594 3.775 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000467615677 992881007 /nfs/dbraw/zinc/88/10/07/992881007.db2.gz WMPKYHWEVRTDTR-KIZRIRGWSA-N 2 2 414.594 3.775 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000467615677 992881016 /nfs/dbraw/zinc/88/10/16/992881016.db2.gz WMPKYHWEVRTDTR-KIZRIRGWSA-N 2 2 414.594 3.775 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000467615677 992881022 /nfs/dbraw/zinc/88/10/22/992881022.db2.gz WMPKYHWEVRTDTR-KIZRIRGWSA-N 2 2 414.594 3.775 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300684 993314027 /nfs/dbraw/zinc/31/40/27/993314027.db2.gz ZCHPVQFPIYGLKR-VCUAKTQDSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300684 993314033 /nfs/dbraw/zinc/31/40/33/993314033.db2.gz ZCHPVQFPIYGLKR-VCUAKTQDSA-N 2 2 422.658 3.560 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462780 993464938 /nfs/dbraw/zinc/46/49/38/993464938.db2.gz IIYIRACGVHCEIW-SIKLNZKXSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462780 993464941 /nfs/dbraw/zinc/46/49/41/993464941.db2.gz IIYIRACGVHCEIW-SIKLNZKXSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462780 993464947 /nfs/dbraw/zinc/46/49/47/993464947.db2.gz IIYIRACGVHCEIW-SIKLNZKXSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462780 993464952 /nfs/dbraw/zinc/46/49/52/993464952.db2.gz IIYIRACGVHCEIW-SIKLNZKXSA-N 2 2 423.601 3.859 20 0 HHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Br)ccc1F ZINC000480733805 993599336 /nfs/dbraw/zinc/59/93/36/993599336.db2.gz PTNNUJLZHHLMQS-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744845 993611864 /nfs/dbraw/zinc/61/18/64/993611864.db2.gz MCCYJTCUCDAKEQ-VQIMIIECSA-N 2 2 407.484 3.798 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744845 993611872 /nfs/dbraw/zinc/61/18/72/993611872.db2.gz MCCYJTCUCDAKEQ-VQIMIIECSA-N 2 2 407.484 3.798 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)cc1OC ZINC000480769559 993635197 /nfs/dbraw/zinc/63/51/97/993635197.db2.gz IFPMJZQIPHATHJ-GJZGRUSLSA-N 2 2 400.548 3.995 20 0 HHADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480919378 993773437 /nfs/dbraw/zinc/77/34/37/993773437.db2.gz GAIUHPNZBSOVMW-LJQANCHMSA-N 2 2 411.546 3.597 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855713 993788151 /nfs/dbraw/zinc/78/81/51/993788151.db2.gz MQTPVZOPCJEMLQ-HOCLYGCPSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855713 993788156 /nfs/dbraw/zinc/78/81/56/993788156.db2.gz MQTPVZOPCJEMLQ-HOCLYGCPSA-N 2 2 424.376 3.816 20 0 HHADLP C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472943741 993873111 /nfs/dbraw/zinc/87/31/11/993873111.db2.gz XCNVLIGOIFGGAS-FQEVSTJZSA-N 2 2 409.578 3.782 20 0 HHADLP C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472943741 993873119 /nfs/dbraw/zinc/87/31/19/993873119.db2.gz XCNVLIGOIFGGAS-FQEVSTJZSA-N 2 2 409.578 3.782 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000473024271 993943714 /nfs/dbraw/zinc/94/37/14/993943714.db2.gz QHPAMVVRSYNFKB-SFHVURJKSA-N 2 2 409.509 3.721 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000473024271 993943726 /nfs/dbraw/zinc/94/37/26/993943726.db2.gz QHPAMVVRSYNFKB-SFHVURJKSA-N 2 2 409.509 3.721 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177487 994007692 /nfs/dbraw/zinc/00/76/92/994007692.db2.gz QKGWJIBYEKQXQV-FUHWJXTLSA-N 2 2 410.543 3.842 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177487 994007700 /nfs/dbraw/zinc/00/77/00/994007700.db2.gz QKGWJIBYEKQXQV-FUHWJXTLSA-N 2 2 410.543 3.842 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181090 994011351 /nfs/dbraw/zinc/01/13/51/994011351.db2.gz LSUFMPLHBSFMSY-DXIQSLLYSA-N 2 2 423.557 3.675 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181090 994011370 /nfs/dbraw/zinc/01/13/70/994011370.db2.gz LSUFMPLHBSFMSY-DXIQSLLYSA-N 2 2 423.557 3.675 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181091 994011645 /nfs/dbraw/zinc/01/16/45/994011645.db2.gz LSUFMPLHBSFMSY-IPJJNNNSSA-N 2 2 423.557 3.675 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181091 994011649 /nfs/dbraw/zinc/01/16/49/994011649.db2.gz LSUFMPLHBSFMSY-IPJJNNNSSA-N 2 2 423.557 3.675 20 0 HHADLP O=C(C[NH2+][C@@H](CC1CCC1)c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481250355 994076331 /nfs/dbraw/zinc/07/63/31/994076331.db2.gz CQYHBGNZLQIWHC-DEOSSOPVSA-N 2 2 407.558 3.978 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481293141 994108815 /nfs/dbraw/zinc/10/88/15/994108815.db2.gz FYWHTYNYGAIYBD-LJQANCHMSA-N 2 2 410.562 3.900 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000473309665 994168694 /nfs/dbraw/zinc/16/86/94/994168694.db2.gz USRCRHFVTHIJER-QFIPXVFZSA-N 2 2 415.541 3.649 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000473309665 994168701 /nfs/dbraw/zinc/16/87/01/994168701.db2.gz USRCRHFVTHIJER-QFIPXVFZSA-N 2 2 415.541 3.649 20 0 HHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481417997 994252109 /nfs/dbraw/zinc/25/21/09/994252109.db2.gz SKXVCAOVHYBZAM-QFIPXVFZSA-N 2 2 400.494 3.540 20 0 HHADLP C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481585818 994429467 /nfs/dbraw/zinc/42/94/67/994429467.db2.gz WQBOUVOPQCMEFI-BEFAXECRSA-N 2 2 405.420 3.982 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481641409 994507202 /nfs/dbraw/zinc/50/72/02/994507202.db2.gz VALRYSGUDDSXLY-RTBURBONSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481641409 994507211 /nfs/dbraw/zinc/50/72/11/994507211.db2.gz VALRYSGUDDSXLY-RTBURBONSA-N 2 2 406.546 3.635 20 0 HHADLP CCCOc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000473744167 994646900 /nfs/dbraw/zinc/64/69/00/994646900.db2.gz PKNJSFDKQHPXNL-UHFFFAOYSA-N 2 2 416.610 3.533 20 0 HHADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481930500 994802226 /nfs/dbraw/zinc/80/22/26/994802226.db2.gz ZWXZIXADKRBKOZ-QGZVFWFLSA-N 2 2 410.971 3.576 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000473894174 994848690 /nfs/dbraw/zinc/84/86/90/994848690.db2.gz JXFZLHXFDQVJPX-UHFFFAOYSA-N 2 2 401.448 3.525 20 0 HHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482014983 994922941 /nfs/dbraw/zinc/92/29/41/994922941.db2.gz KSAUDKUQCNGQPM-HDMKZQKVSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482014983 994922953 /nfs/dbraw/zinc/92/29/53/994922953.db2.gz KSAUDKUQCNGQPM-HDMKZQKVSA-N 2 2 416.393 3.682 20 0 HHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482043148 994964128 /nfs/dbraw/zinc/96/41/28/994964128.db2.gz OBNUJYSACIPWFW-WMZHIEFXSA-N 2 2 409.574 3.956 20 0 HHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482043148 994964138 /nfs/dbraw/zinc/96/41/38/994964138.db2.gz OBNUJYSACIPWFW-WMZHIEFXSA-N 2 2 409.574 3.956 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482049903 994974622 /nfs/dbraw/zinc/97/46/22/994974622.db2.gz PSAJRKVSINMCTC-HNAYVOBHSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482049903 994974633 /nfs/dbraw/zinc/97/46/33/994974633.db2.gz PSAJRKVSINMCTC-HNAYVOBHSA-N 2 2 418.582 3.851 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC(C)(C)c2cccc(Cl)c2F)([NH+]2CCCCC2)CC1 ZINC000474044976 995034901 /nfs/dbraw/zinc/03/49/01/995034901.db2.gz OYUJDFDTEWKTES-UHFFFAOYSA-N 2 2 424.992 3.964 20 0 HHADLP CC1CC[NH+](CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000474094847 995077121 /nfs/dbraw/zinc/07/71/21/995077121.db2.gz GLWJGKQKUDGLOY-UHFFFAOYSA-N 2 2 402.542 3.947 20 0 HHADLP O=C(CC[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482128790 995078054 /nfs/dbraw/zinc/07/80/54/995078054.db2.gz AQPZQDOXDMSBRH-SFHVURJKSA-N 2 2 416.978 3.600 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482149391 995100946 /nfs/dbraw/zinc/10/09/46/995100946.db2.gz JCDWYHCAFGBKTC-GOEBONIOSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482149391 995100954 /nfs/dbraw/zinc/10/09/54/995100954.db2.gz JCDWYHCAFGBKTC-GOEBONIOSA-N 2 2 402.366 3.659 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000474254799 995253739 /nfs/dbraw/zinc/25/37/39/995253739.db2.gz VPUCSANWZWHAFF-UHFFFAOYSA-N 2 2 419.013 3.788 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000474292624 995284658 /nfs/dbraw/zinc/28/46/58/995284658.db2.gz OVJSJJGVBLYEOU-JOCHJYFZSA-N 2 2 410.468 3.740 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000474292624 995284671 /nfs/dbraw/zinc/28/46/71/995284671.db2.gz OVJSJJGVBLYEOU-JOCHJYFZSA-N 2 2 410.468 3.740 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000482457837 995460452 /nfs/dbraw/zinc/46/04/52/995460452.db2.gz VYSNVCMDCYJCFY-UIFIKXQLSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000482457837 995460459 /nfs/dbraw/zinc/46/04/59/995460459.db2.gz VYSNVCMDCYJCFY-UIFIKXQLSA-N 2 2 416.614 3.655 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595768 995596772 /nfs/dbraw/zinc/59/67/72/995596772.db2.gz ZQBBOXCJLCEDMN-FCHUYYIVSA-N 2 2 407.562 3.580 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595768 995596781 /nfs/dbraw/zinc/59/67/81/995596781.db2.gz ZQBBOXCJLCEDMN-FCHUYYIVSA-N 2 2 407.562 3.580 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCS(=O)(=O)CC1 ZINC000474721424 995658375 /nfs/dbraw/zinc/65/83/75/995658375.db2.gz TZHVIHKPJFFKJI-LJQANCHMSA-N 2 2 423.582 3.901 20 0 HHADLP C[C@@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056156 995894555 /nfs/dbraw/zinc/89/45/55/995894555.db2.gz DFXQLOLZKYONKH-UKILVPOCSA-N 2 2 422.617 3.911 20 0 HHADLP C[C@@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056156 995894561 /nfs/dbraw/zinc/89/45/61/995894561.db2.gz DFXQLOLZKYONKH-UKILVPOCSA-N 2 2 422.617 3.911 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475100843 995921911 /nfs/dbraw/zinc/92/19/11/995921911.db2.gz LCLBZSWAQMTVHE-NRFANRHFSA-N 2 2 405.546 3.607 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475100843 995921915 /nfs/dbraw/zinc/92/19/15/995921915.db2.gz LCLBZSWAQMTVHE-NRFANRHFSA-N 2 2 405.546 3.607 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000483042860 995937142 /nfs/dbraw/zinc/93/71/42/995937142.db2.gz LLPYAFAGLPZIOT-BGYRXZFFSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000483042860 995937145 /nfs/dbraw/zinc/93/71/45/995937145.db2.gz LLPYAFAGLPZIOT-BGYRXZFFSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000475313148 996063500 /nfs/dbraw/zinc/06/35/00/996063500.db2.gz CJOZMYMVNBHOFK-LJQANCHMSA-N 2 2 421.589 3.667 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475375483 996099144 /nfs/dbraw/zinc/09/91/44/996099144.db2.gz XXLDHRZIOLVAQP-UHFFFAOYSA-N 2 2 419.451 3.627 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)C2 ZINC000475389363 996107679 /nfs/dbraw/zinc/10/76/79/996107679.db2.gz LSJNQAHZCYOXOT-GOSISDBHSA-N 2 2 412.603 3.868 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)CC2 ZINC000475389363 996107684 /nfs/dbraw/zinc/10/76/84/996107684.db2.gz LSJNQAHZCYOXOT-GOSISDBHSA-N 2 2 412.603 3.868 20 0 HHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475534116 996206509 /nfs/dbraw/zinc/20/65/09/996206509.db2.gz UWRVOQVDUWQYQR-QGZVFWFLSA-N 2 2 422.577 3.968 20 0 HHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475534116 996206512 /nfs/dbraw/zinc/20/65/12/996206512.db2.gz UWRVOQVDUWQYQR-QGZVFWFLSA-N 2 2 422.577 3.968 20 0 HHADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732419 996331493 /nfs/dbraw/zinc/33/14/93/996331493.db2.gz QOBJBXOXCYXFHU-SANMLTNESA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732419 996331499 /nfs/dbraw/zinc/33/14/99/996331499.db2.gz QOBJBXOXCYXFHU-SANMLTNESA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732419 996331503 /nfs/dbraw/zinc/33/15/03/996331503.db2.gz QOBJBXOXCYXFHU-SANMLTNESA-N 2 2 403.570 3.559 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000475732419 996331508 /nfs/dbraw/zinc/33/15/08/996331508.db2.gz QOBJBXOXCYXFHU-SANMLTNESA-N 2 2 403.570 3.559 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000483709598 996342316 /nfs/dbraw/zinc/34/23/16/996342316.db2.gz FOKLHYSYCOHZBC-LJQANCHMSA-N 2 2 424.570 3.914 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000483709598 996342323 /nfs/dbraw/zinc/34/23/23/996342323.db2.gz FOKLHYSYCOHZBC-LJQANCHMSA-N 2 2 424.570 3.914 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000483787959 996388202 /nfs/dbraw/zinc/38/82/02/996388202.db2.gz HOVKPMNOXARTQE-ROUUACIJSA-N 2 2 418.548 3.605 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000483787961 996388218 /nfs/dbraw/zinc/38/82/18/996388218.db2.gz HOVKPMNOXARTQE-ZWKOTPCHSA-N 2 2 418.548 3.605 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475819739 996391807 /nfs/dbraw/zinc/39/18/07/996391807.db2.gz SXKQQQFURQUMMI-BJKOFHAPSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475819739 996391812 /nfs/dbraw/zinc/39/18/12/996391812.db2.gz SXKQQQFURQUMMI-BJKOFHAPSA-N 2 2 408.590 3.573 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802376 996397419 /nfs/dbraw/zinc/39/74/19/996397419.db2.gz CSTQXVUMVPQRDE-VDGAXYAQSA-N 2 2 424.992 3.958 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802376 996397426 /nfs/dbraw/zinc/39/74/26/996397426.db2.gz CSTQXVUMVPQRDE-VDGAXYAQSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802376 996397433 /nfs/dbraw/zinc/39/74/33/996397433.db2.gz CSTQXVUMVPQRDE-VDGAXYAQSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802376 996397439 /nfs/dbraw/zinc/39/74/39/996397439.db2.gz CSTQXVUMVPQRDE-VDGAXYAQSA-N 2 2 424.992 3.958 20 0 HHADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1 ZINC000484128149 996585581 /nfs/dbraw/zinc/58/55/81/996585581.db2.gz IBJGPWBWYLKRCB-RBUKOAKNSA-N 2 2 415.603 3.909 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1SC ZINC000484157227 996605470 /nfs/dbraw/zinc/60/54/70/996605470.db2.gz HDTTZKILKMEEEJ-DZFGPLHGSA-N 2 2 400.588 3.951 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1SC ZINC000484157227 996605475 /nfs/dbraw/zinc/60/54/75/996605475.db2.gz HDTTZKILKMEEEJ-DZFGPLHGSA-N 2 2 400.588 3.951 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484180521 996620295 /nfs/dbraw/zinc/62/02/95/996620295.db2.gz RZBGKPFQLMELAY-UZUQRXQVSA-N 2 2 408.571 3.801 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484180521 996620297 /nfs/dbraw/zinc/62/02/97/996620297.db2.gz RZBGKPFQLMELAY-UZUQRXQVSA-N 2 2 408.571 3.801 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000476216064 996682732 /nfs/dbraw/zinc/68/27/32/996682732.db2.gz GFMAUPFPHUXHFQ-INIZCTEOSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000476216064 996682735 /nfs/dbraw/zinc/68/27/35/996682735.db2.gz GFMAUPFPHUXHFQ-INIZCTEOSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000476267581 996718476 /nfs/dbraw/zinc/71/84/76/996718476.db2.gz VSUGRQUKUUFVAM-MAUKXSAKSA-N 2 2 412.484 3.792 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000476267581 996718478 /nfs/dbraw/zinc/71/84/78/996718478.db2.gz VSUGRQUKUUFVAM-MAUKXSAKSA-N 2 2 412.484 3.792 20 0 HHADLP COCCC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000484480807 996800247 /nfs/dbraw/zinc/80/02/47/996800247.db2.gz AALJPRDJEOJGGY-MSOLQXFVSA-N 2 2 401.414 3.944 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC1CC1 ZINC000476573165 997071433 /nfs/dbraw/zinc/07/14/33/997071433.db2.gz XQWVVPKYZJVRBT-FQEVSTJZSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC1CC1 ZINC000476573165 997071449 /nfs/dbraw/zinc/07/14/49/997071449.db2.gz XQWVVPKYZJVRBT-FQEVSTJZSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC1CC1 ZINC000476573165 997071464 /nfs/dbraw/zinc/07/14/64/997071464.db2.gz XQWVVPKYZJVRBT-FQEVSTJZSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC1CC1 ZINC000476573165 997071471 /nfs/dbraw/zinc/07/14/71/997071471.db2.gz XQWVVPKYZJVRBT-FQEVSTJZSA-N 2 2 400.611 3.999 20 0 HHADLP CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476687360 997226742 /nfs/dbraw/zinc/22/67/42/997226742.db2.gz GRAJPSAKUBHYCL-SFHVURJKSA-N 2 2 412.484 3.746 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000476815604 997372201 /nfs/dbraw/zinc/37/22/01/997372201.db2.gz CHEMPOLYCVLIMX-HNNXBMFYSA-N 2 2 401.473 3.511 20 0 HHADLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Br)c1O ZINC000485247061 997632162 /nfs/dbraw/zinc/63/21/62/997632162.db2.gz DLNQDKAUSITMIH-AWEZNQCLSA-N 2 2 408.340 3.742 20 0 HHADLP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Br)c1O ZINC000485247061 997632167 /nfs/dbraw/zinc/63/21/67/997632167.db2.gz DLNQDKAUSITMIH-AWEZNQCLSA-N 2 2 408.340 3.742 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292280 997694087 /nfs/dbraw/zinc/69/40/87/997694087.db2.gz MHBGMMTYLOZFFP-RTWAWAEBSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292280 997694091 /nfs/dbraw/zinc/69/40/91/997694091.db2.gz MHBGMMTYLOZFFP-RTWAWAEBSA-N 2 2 423.605 3.816 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccsc1 ZINC000485294454 997698494 /nfs/dbraw/zinc/69/84/94/997698494.db2.gz AGRRUDGQNAHVNZ-HKUYNNGSSA-N 2 2 403.596 3.529 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000485337544 997754611 /nfs/dbraw/zinc/75/46/11/997754611.db2.gz OGWVIUYGDMUJRF-IZIIKQMZSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000485337544 997754618 /nfs/dbraw/zinc/75/46/18/997754618.db2.gz OGWVIUYGDMUJRF-IZIIKQMZSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000485337544 997754626 /nfs/dbraw/zinc/75/46/26/997754626.db2.gz OGWVIUYGDMUJRF-IZIIKQMZSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000485337544 997754630 /nfs/dbraw/zinc/75/46/30/997754630.db2.gz OGWVIUYGDMUJRF-IZIIKQMZSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340029 997758892 /nfs/dbraw/zinc/75/88/92/997758892.db2.gz HPLVWJFQVRJIFG-PZUNEJSGSA-N 2 2 403.570 3.577 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340029 997758902 /nfs/dbraw/zinc/75/89/02/997758902.db2.gz HPLVWJFQVRJIFG-PZUNEJSGSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340029 997758911 /nfs/dbraw/zinc/75/89/11/997758911.db2.gz HPLVWJFQVRJIFG-PZUNEJSGSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340029 997758917 /nfs/dbraw/zinc/75/89/17/997758917.db2.gz HPLVWJFQVRJIFG-PZUNEJSGSA-N 2 2 403.570 3.577 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340030 997758991 /nfs/dbraw/zinc/75/89/91/997758991.db2.gz HPLVWJFQVRJIFG-QLBJFCOMSA-N 2 2 403.570 3.577 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340030 997758997 /nfs/dbraw/zinc/75/89/97/997758997.db2.gz HPLVWJFQVRJIFG-QLBJFCOMSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340030 997759006 /nfs/dbraw/zinc/75/90/06/997759006.db2.gz HPLVWJFQVRJIFG-QLBJFCOMSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@H]21 ZINC000485340030 997759013 /nfs/dbraw/zinc/75/90/13/997759013.db2.gz HPLVWJFQVRJIFG-QLBJFCOMSA-N 2 2 403.570 3.577 20 0 HHADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187386 997856437 /nfs/dbraw/zinc/85/64/37/997856437.db2.gz LEPKDNNFICCLTI-GOTSBHOMSA-N 2 2 406.574 3.779 20 0 HHADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187386 997856448 /nfs/dbraw/zinc/85/64/48/997856448.db2.gz LEPKDNNFICCLTI-GOTSBHOMSA-N 2 2 406.574 3.779 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477288692 997972730 /nfs/dbraw/zinc/97/27/30/997972730.db2.gz JLYRKHWCJMTZOR-IBGZPJMESA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477288692 997972737 /nfs/dbraw/zinc/97/27/37/997972737.db2.gz JLYRKHWCJMTZOR-IBGZPJMESA-N 2 2 410.965 3.616 20 0 HHADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000485708015 998173672 /nfs/dbraw/zinc/17/36/72/998173672.db2.gz HBDWNQOOTYRJPB-INIZCTEOSA-N 2 2 416.572 3.667 20 0 HHADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000485708015 998173679 /nfs/dbraw/zinc/17/36/79/998173679.db2.gz HBDWNQOOTYRJPB-INIZCTEOSA-N 2 2 416.572 3.667 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000485821271 998287499 /nfs/dbraw/zinc/28/74/99/998287499.db2.gz UZGHZOLYWDZSDZ-OFNKIYASSA-N 2 2 420.561 3.992 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007566 998451301 /nfs/dbraw/zinc/45/13/01/998451301.db2.gz PKXAMARNVZKZAR-TZYAJKAJSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007566 998451307 /nfs/dbraw/zinc/45/13/07/998451307.db2.gz PKXAMARNVZKZAR-TZYAJKAJSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007557 998451503 /nfs/dbraw/zinc/45/15/03/998451503.db2.gz PKXAMARNVZKZAR-KZTDQWPFSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007557 998451511 /nfs/dbraw/zinc/45/15/11/998451511.db2.gz PKXAMARNVZKZAR-KZTDQWPFSA-N 2 2 424.593 3.616 20 0 HHADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000477818188 998572706 /nfs/dbraw/zinc/57/27/06/998572706.db2.gz MCFVSNRKIARPQB-FQEVSTJZSA-N 2 2 410.562 3.503 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486160611 998609608 /nfs/dbraw/zinc/60/96/08/998609608.db2.gz WAXAFGIFJULRSY-KJJMTIBFSA-N 2 2 419.560 3.831 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486160611 998609613 /nfs/dbraw/zinc/60/96/13/998609613.db2.gz WAXAFGIFJULRSY-KJJMTIBFSA-N 2 2 419.560 3.831 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000486188960 998630868 /nfs/dbraw/zinc/63/08/68/998630868.db2.gz ATFMJNFWNCRPMF-GOSISDBHSA-N 2 2 421.520 3.563 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931781 998665148 /nfs/dbraw/zinc/66/51/48/998665148.db2.gz PZQJTSPAIHMQEY-LPHOPBHVSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931781 998665151 /nfs/dbraw/zinc/66/51/51/998665151.db2.gz PZQJTSPAIHMQEY-LPHOPBHVSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478181172 998807602 /nfs/dbraw/zinc/80/76/02/998807602.db2.gz QHFARZLZDKJFFQ-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478181172 998807604 /nfs/dbraw/zinc/80/76/04/998807604.db2.gz QHFARZLZDKJFFQ-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905198 999000248 /nfs/dbraw/zinc/00/02/48/999000248.db2.gz DQVWKPNIXRWQKQ-VXKWHMMOSA-N 2 2 418.557 3.829 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905198 999000254 /nfs/dbraw/zinc/00/02/54/999000254.db2.gz DQVWKPNIXRWQKQ-VXKWHMMOSA-N 2 2 418.557 3.829 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487125840 999069986 /nfs/dbraw/zinc/06/99/86/999069986.db2.gz JNBVJIFSQDJZHK-FPOVZHCZSA-N 2 2 417.504 3.685 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000487125840 999069989 /nfs/dbraw/zinc/06/99/89/999069989.db2.gz JNBVJIFSQDJZHK-FPOVZHCZSA-N 2 2 417.504 3.685 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224341 999102911 /nfs/dbraw/zinc/10/29/11/999102911.db2.gz NVWJUKQOSMIADY-QFIPXVFZSA-N 2 2 411.521 3.954 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224341 999102915 /nfs/dbraw/zinc/10/29/15/999102915.db2.gz NVWJUKQOSMIADY-QFIPXVFZSA-N 2 2 411.521 3.954 20 0 HHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000478974861 999230104 /nfs/dbraw/zinc/23/01/04/999230104.db2.gz CVFDTQQSJJUFOX-IBGZPJMESA-N 2 2 404.352 3.607 20 0 HHADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000479340522 999393767 /nfs/dbraw/zinc/39/37/67/999393767.db2.gz XEECNYZXFYWQHK-HXUWFJFHSA-N 2 2 421.511 3.618 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479437308 999416847 /nfs/dbraw/zinc/41/68/47/999416847.db2.gz MCPOBKYPGANODS-JWQCQUIFSA-N 2 2 417.553 3.730 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000479437308 999416850 /nfs/dbraw/zinc/41/68/50/999416850.db2.gz MCPOBKYPGANODS-JWQCQUIFSA-N 2 2 417.553 3.730 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488616748 999547080 /nfs/dbraw/zinc/54/70/80/999547080.db2.gz WEQUMGCCEJEHNP-RTWAWAEBSA-N 2 2 419.520 3.725 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000488616748 999547081 /nfs/dbraw/zinc/54/70/81/999547081.db2.gz WEQUMGCCEJEHNP-RTWAWAEBSA-N 2 2 419.520 3.725 20 0 HHADLP C[NH+]1CCC(n2ccc(NC(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)n2)CC1 ZINC000488956409 999656650 /nfs/dbraw/zinc/65/66/50/999656650.db2.gz QJFGJDSEZOGQJX-UHFFFAOYSA-N 2 2 417.517 3.709 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCCCCc2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000488973918 999661380 /nfs/dbraw/zinc/66/13/80/999661380.db2.gz GGGLQFWQWSRTTO-UHFFFAOYSA-N 2 2 403.586 3.995 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489058479 999685204 /nfs/dbraw/zinc/68/52/04/999685204.db2.gz DQGHQQQWICGCRC-PXDATVDWSA-N 2 2 421.589 3.525 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058479 999685208 /nfs/dbraw/zinc/68/52/08/999685208.db2.gz DQGHQQQWICGCRC-PXDATVDWSA-N 2 2 421.589 3.525 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147906 999711705 /nfs/dbraw/zinc/71/17/05/999711705.db2.gz MJJRFTVEOIXDAZ-VXKWHMMOSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147906 999711707 /nfs/dbraw/zinc/71/17/07/999711707.db2.gz MJJRFTVEOIXDAZ-VXKWHMMOSA-N 2 2 412.553 3.783 20 0 HHADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254695 999730984 /nfs/dbraw/zinc/73/09/84/999730984.db2.gz KRSWCEPNKVGPNU-DNQXCXABSA-N 4 2 410.650 3.522 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C[NH+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000489254695 999730985 /nfs/dbraw/zinc/73/09/85/999730985.db2.gz KRSWCEPNKVGPNU-DNQXCXABSA-N 4 2 410.650 3.522 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000489289645 999738061 /nfs/dbraw/zinc/73/80/61/999738061.db2.gz IKHFSYHCEVDJEA-LJQANCHMSA-N 2 2 412.553 3.806 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000489289645 999738063 /nfs/dbraw/zinc/73/80/63/999738063.db2.gz IKHFSYHCEVDJEA-LJQANCHMSA-N 2 2 412.553 3.806 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480254424 999757392 /nfs/dbraw/zinc/75/73/92/999757392.db2.gz NJXHEYPYMQRQAA-SFHVURJKSA-N 2 2 419.635 3.965 20 0 HHADLP Cc1cccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)(C)C)c1 ZINC000489394952 999757795 /nfs/dbraw/zinc/75/77/95/999757795.db2.gz LLUMTXZAKIEDID-JOCHJYFZSA-N 2 2 400.611 3.940 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000489396116 999758265 /nfs/dbraw/zinc/75/82/65/999758265.db2.gz UFLFDYBMMLHSJZ-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000489396116 999758267 /nfs/dbraw/zinc/75/82/67/999758267.db2.gz UFLFDYBMMLHSJZ-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396116 999758268 /nfs/dbraw/zinc/75/82/68/999758268.db2.gz UFLFDYBMMLHSJZ-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396116 999758271 /nfs/dbraw/zinc/75/82/71/999758271.db2.gz UFLFDYBMMLHSJZ-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000489419324 999763289 /nfs/dbraw/zinc/76/32/89/999763289.db2.gz CLYAIWSAZWCJOJ-OAQYLSRUSA-N 2 2 424.589 3.512 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000489419324 999763290 /nfs/dbraw/zinc/76/32/90/999763290.db2.gz CLYAIWSAZWCJOJ-OAQYLSRUSA-N 2 2 424.589 3.512 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480529262 999819397 /nfs/dbraw/zinc/81/93/97/999819397.db2.gz QMLWQCFPZGDAHB-SFHVURJKSA-N 2 2 412.559 3.586 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480605953 999839185 /nfs/dbraw/zinc/83/91/85/999839185.db2.gz HEZBLIWIVIIYPR-MRXNPFEDSA-N 2 2 400.592 3.813 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1OC ZINC000480612040 999840682 /nfs/dbraw/zinc/84/06/82/999840682.db2.gz PMJWJUPLFZKDDG-OAQYLSRUSA-N 2 2 415.965 3.977 20 0 HHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000480621434 999843079 /nfs/dbraw/zinc/84/30/79/999843079.db2.gz UKATYNJUPAAHAD-QGZVFWFLSA-N 2 2 417.500 3.835 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccsc2S1 ZINC000480620441 999843105 /nfs/dbraw/zinc/84/31/05/999843105.db2.gz VEBXSSDRYKZJBX-KXBFYZLASA-N 2 2 401.601 3.851 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490152351 999900951 /nfs/dbraw/zinc/90/09/51/999900951.db2.gz MWNNACGOOIUILI-PKTZIBPZSA-N 2 2 423.605 3.573 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490152351 999900953 /nfs/dbraw/zinc/90/09/53/999900953.db2.gz MWNNACGOOIUILI-PKTZIBPZSA-N 2 2 423.605 3.573 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191075 999907953 /nfs/dbraw/zinc/90/79/53/999907953.db2.gz PHNATEWWDZEALU-HOYKHHGWSA-N 2 2 408.521 3.659 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191075 999907957 /nfs/dbraw/zinc/90/79/57/999907957.db2.gz PHNATEWWDZEALU-HOYKHHGWSA-N 2 2 408.521 3.659 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237152 999918094 /nfs/dbraw/zinc/91/80/94/999918094.db2.gz BYWHXVYBAQXVMT-TZIWHRDSSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237152 999918096 /nfs/dbraw/zinc/91/80/96/999918096.db2.gz BYWHXVYBAQXVMT-TZIWHRDSSA-N 2 2 422.598 3.903 20 0 HHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058938 1000040664 /nfs/dbraw/zinc/04/06/64/1000040664.db2.gz JBNOVLXQRRJVRV-DQEYMECFSA-N 2 2 409.574 3.779 20 0 HHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058938 1000040665 /nfs/dbraw/zinc/04/06/65/1000040665.db2.gz JBNOVLXQRRJVRV-DQEYMECFSA-N 2 2 409.574 3.779 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(Cl)cc2)c1 ZINC000491384463 1000070292 /nfs/dbraw/zinc/07/02/92/1000070292.db2.gz SZHSPIXADAVCGY-FQEVSTJZSA-N 2 2 403.935 3.709 20 0 HHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000491900476 1000099890 /nfs/dbraw/zinc/09/98/90/1000099890.db2.gz FWGRZOPAYAGTRY-FRIKZZABSA-N 2 2 416.529 3.644 20 0 HHADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000491900476 1000099893 /nfs/dbraw/zinc/09/98/93/1000099893.db2.gz FWGRZOPAYAGTRY-FRIKZZABSA-N 2 2 416.529 3.644 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000491979726 1000103361 /nfs/dbraw/zinc/10/33/61/1000103361.db2.gz VZYPFFYOQGETLS-HSZRJFAPSA-N 2 2 402.542 3.606 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000491979726 1000103362 /nfs/dbraw/zinc/10/33/62/1000103362.db2.gz VZYPFFYOQGETLS-HSZRJFAPSA-N 2 2 402.542 3.606 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1)[NH+]1CCOCC1 ZINC000492153440 1000112128 /nfs/dbraw/zinc/11/21/28/1000112128.db2.gz BFRCWLFFMXSKIU-LJQANCHMSA-N 2 2 402.583 3.666 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492155290 1000112347 /nfs/dbraw/zinc/11/23/47/1000112347.db2.gz GMLKTDSEEOGPIA-JOCHJYFZSA-N 2 2 418.545 3.702 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492155290 1000112350 /nfs/dbraw/zinc/11/23/50/1000112350.db2.gz GMLKTDSEEOGPIA-JOCHJYFZSA-N 2 2 418.545 3.702 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493038412 1000155153 /nfs/dbraw/zinc/15/51/53/1000155153.db2.gz VLDPIVZXYUONHM-UHFFFAOYSA-N 2 2 411.522 3.724 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000493038412 1000155154 /nfs/dbraw/zinc/15/51/54/1000155154.db2.gz VLDPIVZXYUONHM-UHFFFAOYSA-N 2 2 411.522 3.724 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000493765979 1000191027 /nfs/dbraw/zinc/19/10/27/1000191027.db2.gz WTIIDNVHAQLSNL-DHZHZOJOSA-N 2 2 421.585 3.878 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)c2C1 ZINC000494443772 1000494837 /nfs/dbraw/zinc/49/48/37/1000494837.db2.gz WZHZYDRSQQNNPV-XMMPIXPASA-N 2 2 407.558 3.795 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)c2C1 ZINC000494443772 1000494839 /nfs/dbraw/zinc/49/48/39/1000494839.db2.gz WZHZYDRSQQNNPV-XMMPIXPASA-N 2 2 407.558 3.795 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000505169783 1000593535 /nfs/dbraw/zinc/59/35/35/1000593535.db2.gz UHLAYWDLZZJWLG-AQNXPRMDSA-N 2 2 412.603 3.805 20 0 HHADLP CCc1ccc([C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC[NH2+]2)cc1 ZINC000505572310 1000912277 /nfs/dbraw/zinc/91/22/77/1000912277.db2.gz IVSYWWNZASKRMN-LJQANCHMSA-N 2 2 411.456 3.554 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@@H]21 ZINC000505624269 1000940090 /nfs/dbraw/zinc/94/00/90/1000940090.db2.gz WQFPSNGUWKXWPT-HOJAQTOUSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@@H]21 ZINC000505624269 1000940096 /nfs/dbraw/zinc/94/00/96/1000940096.db2.gz WQFPSNGUWKXWPT-HOJAQTOUSA-N 2 2 420.395 3.529 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505638857 1000948495 /nfs/dbraw/zinc/94/84/95/1000948495.db2.gz PHYZXFVSCMPQDO-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505638857 1000948504 /nfs/dbraw/zinc/94/85/04/1000948504.db2.gz PHYZXFVSCMPQDO-JOCHJYFZSA-N 2 2 424.495 3.705 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000495592422 1001049528 /nfs/dbraw/zinc/04/95/28/1001049528.db2.gz NUTBBSQCKHOEOU-KRWDZBQOSA-N 2 2 401.938 3.852 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000495774293 1001074915 /nfs/dbraw/zinc/07/49/15/1001074915.db2.gz HYSCTLPSIMGTSO-UHFFFAOYSA-N 2 2 422.784 3.510 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000495774293 1001074923 /nfs/dbraw/zinc/07/49/23/1001074923.db2.gz HYSCTLPSIMGTSO-UHFFFAOYSA-N 2 2 422.784 3.510 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000495775634 1001075549 /nfs/dbraw/zinc/07/55/49/1001075549.db2.gz UCPVRRZNLITPJD-UHFFFAOYSA-N 2 2 409.574 3.672 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000495775634 1001075558 /nfs/dbraw/zinc/07/55/58/1001075558.db2.gz UCPVRRZNLITPJD-UHFFFAOYSA-N 2 2 409.574 3.672 20 0 HHADLP CC[C@@H](CSc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000506265194 1001317231 /nfs/dbraw/zinc/31/72/31/1001317231.db2.gz VTSZLIUOMCXCAB-FQEVSTJZSA-N 2 2 418.651 3.807 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468593 1001383062 /nfs/dbraw/zinc/38/30/62/1001383062.db2.gz GVZVETDLFBESMY-VJBMBRPKSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468593 1001383067 /nfs/dbraw/zinc/38/30/67/1001383067.db2.gz GVZVETDLFBESMY-VJBMBRPKSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468593 1001383072 /nfs/dbraw/zinc/38/30/72/1001383072.db2.gz GVZVETDLFBESMY-VJBMBRPKSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468593 1001383076 /nfs/dbraw/zinc/38/30/76/1001383076.db2.gz GVZVETDLFBESMY-VJBMBRPKSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471118 1001384275 /nfs/dbraw/zinc/38/42/75/1001384275.db2.gz RUWJUYZYGPZMCS-CTNGQTDRSA-N 2 2 413.468 3.948 20 0 HHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497471118 1001384277 /nfs/dbraw/zinc/38/42/77/1001384277.db2.gz RUWJUYZYGPZMCS-CTNGQTDRSA-N 2 2 413.468 3.948 20 0 HHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1 ZINC000506640212 1001480059 /nfs/dbraw/zinc/48/00/59/1001480059.db2.gz VPAZVMVSRRLIGC-UHFFFAOYSA-N 2 2 407.299 3.975 20 0 HHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1 ZINC000506640212 1001480062 /nfs/dbraw/zinc/48/00/62/1001480062.db2.gz VPAZVMVSRRLIGC-UHFFFAOYSA-N 2 2 407.299 3.975 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+]1CCc2ccccc2C1 ZINC000507124385 1001823343 /nfs/dbraw/zinc/82/33/43/1001823343.db2.gz ZISLVYDOYUBVLJ-DENIHFKCSA-N 2 2 421.589 3.555 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+]1CCc2ccccc2C1 ZINC000507124385 1001823352 /nfs/dbraw/zinc/82/33/52/1001823352.db2.gz ZISLVYDOYUBVLJ-DENIHFKCSA-N 2 2 421.589 3.555 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313002 1001992119 /nfs/dbraw/zinc/99/21/19/1001992119.db2.gz CLJNELRKVXKLTR-MOPGFXCFSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313002 1001992132 /nfs/dbraw/zinc/99/21/32/1001992132.db2.gz CLJNELRKVXKLTR-MOPGFXCFSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313004 1001992390 /nfs/dbraw/zinc/99/23/90/1001992390.db2.gz CLJNELRKVXKLTR-OALUTQOASA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313004 1001992403 /nfs/dbraw/zinc/99/24/03/1001992403.db2.gz CLJNELRKVXKLTR-OALUTQOASA-N 2 2 401.599 3.619 20 0 HHADLP c1ccc(CCOCCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498578559 1001992475 /nfs/dbraw/zinc/99/24/75/1001992475.db2.gz VKOOLTARSLBSCE-VWLOTQADSA-N 2 2 422.617 3.565 20 0 HHADLP c1ccc(CCOCCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498578559 1001992489 /nfs/dbraw/zinc/99/24/89/1001992489.db2.gz VKOOLTARSLBSCE-VWLOTQADSA-N 2 2 422.617 3.565 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000507374914 1002032305 /nfs/dbraw/zinc/03/23/05/1002032305.db2.gz ZSKKITXOZONBLV-ZCNNSNEGSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000507374914 1002032317 /nfs/dbraw/zinc/03/23/17/1002032317.db2.gz ZSKKITXOZONBLV-ZCNNSNEGSA-N 2 2 413.610 3.761 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000507470805 1002090929 /nfs/dbraw/zinc/09/09/29/1002090929.db2.gz NQEHLBOPGUHTFI-YUXAGFNASA-N 2 2 418.990 3.614 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000507470805 1002090943 /nfs/dbraw/zinc/09/09/43/1002090943.db2.gz NQEHLBOPGUHTFI-YUXAGFNASA-N 2 2 418.990 3.614 20 0 HHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 ZINC000507521686 1002130314 /nfs/dbraw/zinc/13/03/14/1002130314.db2.gz ZWSRUAVKCQUJLB-IBGZPJMESA-N 2 2 419.919 3.720 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000498783287 1002168420 /nfs/dbraw/zinc/16/84/20/1002168420.db2.gz XASWBNLOJVHJMZ-UHFFFAOYSA-N 2 2 418.434 3.711 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000498783287 1002168424 /nfs/dbraw/zinc/16/84/24/1002168424.db2.gz XASWBNLOJVHJMZ-UHFFFAOYSA-N 2 2 418.434 3.711 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000499123070 1002509332 /nfs/dbraw/zinc/50/93/32/1002509332.db2.gz FQSBSXOUDQOSIF-JOZNFPNDSA-N 3 2 405.590 3.847 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000499123070 1002509342 /nfs/dbraw/zinc/50/93/42/1002509342.db2.gz FQSBSXOUDQOSIF-JOZNFPNDSA-N 3 2 405.590 3.847 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000499247541 1002643402 /nfs/dbraw/zinc/64/34/02/1002643402.db2.gz FHXLSGXRLZYTTQ-YUMYIRISSA-N 2 2 405.542 3.586 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000499247541 1002643409 /nfs/dbraw/zinc/64/34/09/1002643409.db2.gz FHXLSGXRLZYTTQ-YUMYIRISSA-N 2 2 405.542 3.586 20 0 HHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000499419724 1002804160 /nfs/dbraw/zinc/80/41/60/1002804160.db2.gz IZHZVEUAYBZXAX-QGZVFWFLSA-N 2 2 422.411 3.619 20 0 HHADLP CCSc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000508563720 1003032035 /nfs/dbraw/zinc/03/20/35/1003032035.db2.gz MEADOINIDMSUCX-KRWDZBQOSA-N 2 2 404.624 3.717 20 0 HHADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccccc1OC ZINC000508577051 1003040279 /nfs/dbraw/zinc/04/02/79/1003040279.db2.gz FFRXOYJRSUAVDK-IBGZPJMESA-N 2 2 416.610 3.736 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508970547 1003441080 /nfs/dbraw/zinc/44/10/80/1003441080.db2.gz GAJJTNQESVCVIW-WOJBJXKFSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508970547 1003440884 /nfs/dbraw/zinc/44/08/84/1003440884.db2.gz GAJJTNQESVCVIW-WOJBJXKFSA-N 2 2 414.585 3.791 20 0 HHADLP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508975685 1003446947 /nfs/dbraw/zinc/44/69/47/1003446947.db2.gz GHIQZQABQPGMNG-HSZRJFAPSA-N 2 2 403.574 3.713 20 0 HHADLP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508975685 1003446942 /nfs/dbraw/zinc/44/69/42/1003446942.db2.gz GHIQZQABQPGMNG-HSZRJFAPSA-N 2 2 403.574 3.713 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020028 1003491933 /nfs/dbraw/zinc/49/19/33/1003491933.db2.gz BHIOQPYHARNIQS-NOZRDPDXSA-N 3 2 406.618 3.699 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020028 1003491941 /nfs/dbraw/zinc/49/19/41/1003491941.db2.gz BHIOQPYHARNIQS-NOZRDPDXSA-N 3 2 406.618 3.699 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC000509263060 1003663011 /nfs/dbraw/zinc/66/30/11/1003663011.db2.gz JRUNXIDJBOVAPQ-FQEVSTJZSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC000509263060 1003663016 /nfs/dbraw/zinc/66/30/16/1003663016.db2.gz JRUNXIDJBOVAPQ-FQEVSTJZSA-N 2 2 416.610 3.738 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372169 1003668224 /nfs/dbraw/zinc/66/82/24/1003668224.db2.gz UOYVZYYSJZMNAB-OALUTQOASA-N 2 2 410.389 3.772 20 0 HHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000500461405 1003730211 /nfs/dbraw/zinc/73/02/11/1003730211.db2.gz JJBCCRNYFFXYMF-UHFFFAOYSA-N 2 2 403.954 3.659 20 0 HHADLP c1[nH]c2ncccc2c1C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509360340 1003790334 /nfs/dbraw/zinc/79/03/34/1003790334.db2.gz VUHWFTSFKHBRSP-UHFFFAOYSA-N 2 2 403.574 3.955 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511850908 1003830774 /nfs/dbraw/zinc/83/07/74/1003830774.db2.gz VCKGMXWJSHFXPM-PMACEKPBSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511850908 1003830790 /nfs/dbraw/zinc/83/07/90/1003830790.db2.gz VCKGMXWJSHFXPM-PMACEKPBSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000509525368 1003922863 /nfs/dbraw/zinc/92/28/63/1003922863.db2.gz JVYLTKZMMQLOGN-UYAOXDASSA-N 2 2 410.587 3.650 20 0 HHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000511992783 1003940674 /nfs/dbraw/zinc/94/06/74/1003940674.db2.gz VSNRIPVBOICPPB-DGCLKSJQSA-N 2 2 400.832 3.877 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000509587862 1003964033 /nfs/dbraw/zinc/96/40/33/1003964033.db2.gz MWBFBHLYMJHIFH-QFIPXVFZSA-N 2 2 403.574 3.794 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000500821328 1003981128 /nfs/dbraw/zinc/98/11/28/1003981128.db2.gz JUYAWNROEFTVJK-WSTZPKSXSA-N 2 2 400.592 3.740 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000500821328 1003981135 /nfs/dbraw/zinc/98/11/35/1003981135.db2.gz JUYAWNROEFTVJK-WSTZPKSXSA-N 2 2 400.592 3.740 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000500821327 1003981412 /nfs/dbraw/zinc/98/14/12/1003981412.db2.gz JUYAWNROEFTVJK-NSHGMRRFSA-N 2 2 400.592 3.740 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000500821327 1003981415 /nfs/dbraw/zinc/98/14/15/1003981415.db2.gz JUYAWNROEFTVJK-NSHGMRRFSA-N 2 2 400.592 3.740 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000509785690 1004095610 /nfs/dbraw/zinc/09/56/10/1004095610.db2.gz CGFUOVAENBWKAC-HXUWFJFHSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@H](NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000501068164 1004170330 /nfs/dbraw/zinc/17/03/30/1004170330.db2.gz FADWZXWSYRIUFC-IBGZPJMESA-N 2 2 418.545 3.886 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000501076018 1004180121 /nfs/dbraw/zinc/18/01/21/1004180121.db2.gz JQHISYLYUWIYGT-NRFANRHFSA-N 2 2 411.575 3.875 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293647 1004197058 /nfs/dbraw/zinc/19/70/58/1004197058.db2.gz SZCBLDVLCIFWNL-ZYLNGJIFSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293647 1004197062 /nfs/dbraw/zinc/19/70/62/1004197062.db2.gz SZCBLDVLCIFWNL-ZYLNGJIFSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293647 1004197066 /nfs/dbraw/zinc/19/70/66/1004197066.db2.gz SZCBLDVLCIFWNL-ZYLNGJIFSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000512293647 1004197072 /nfs/dbraw/zinc/19/70/72/1004197072.db2.gz SZCBLDVLCIFWNL-ZYLNGJIFSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512434789 1004300237 /nfs/dbraw/zinc/30/02/37/1004300237.db2.gz BJCJBTUCOMEASU-MZYLBHOOSA-N 2 2 423.605 3.685 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000512434789 1004300243 /nfs/dbraw/zinc/30/02/43/1004300243.db2.gz BJCJBTUCOMEASU-MZYLBHOOSA-N 2 2 423.605 3.685 20 0 HHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251513 1004426558 /nfs/dbraw/zinc/42/65/58/1004426558.db2.gz CONKFKQBDLMARA-IFMALSPDSA-N 2 2 422.573 3.602 20 0 HHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251513 1004426566 /nfs/dbraw/zinc/42/65/66/1004426566.db2.gz CONKFKQBDLMARA-IFMALSPDSA-N 2 2 422.573 3.602 20 0 HHADLP O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000510604515 1004747557 /nfs/dbraw/zinc/74/75/57/1004747557.db2.gz ZUPAFRVFGPVYOO-QHCPKHFHSA-N 2 2 402.542 3.976 20 0 HHADLP O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000510604515 1004747563 /nfs/dbraw/zinc/74/75/63/1004747563.db2.gz ZUPAFRVFGPVYOO-QHCPKHFHSA-N 2 2 402.542 3.976 20 0 HHADLP CC[C@H](C(=O)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1)c1ccccc1 ZINC000513040469 1004773166 /nfs/dbraw/zinc/77/31/66/1004773166.db2.gz GRTAXKXXLPIONH-QHCPKHFHSA-N 2 2 406.574 3.825 20 0 HHADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513065372 1004787442 /nfs/dbraw/zinc/78/74/42/1004787442.db2.gz RYRTYENTNDAUMT-UHFFFAOYSA-N 2 2 407.624 3.650 20 0 HHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000513065361 1004787467 /nfs/dbraw/zinc/78/74/67/1004787467.db2.gz RXCSYMBNPWKUSU-NQIIRXRSSA-N 2 2 421.651 3.896 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510677860 1004794699 /nfs/dbraw/zinc/79/46/99/1004794699.db2.gz CAKDKQAPGQIDET-BWAGFHJFSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510677860 1004794702 /nfs/dbraw/zinc/79/47/02/1004794702.db2.gz CAKDKQAPGQIDET-BWAGFHJFSA-N 2 2 415.375 3.909 20 0 HHADLP CN(CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510906251 1004924150 /nfs/dbraw/zinc/92/41/50/1004924150.db2.gz XJMJOXVQZHQZEW-UHFFFAOYSA-N 2 2 403.324 3.877 20 0 HHADLP CN(CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510906251 1004924154 /nfs/dbraw/zinc/92/41/54/1004924154.db2.gz XJMJOXVQZHQZEW-UHFFFAOYSA-N 2 2 403.324 3.877 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943544 1004946802 /nfs/dbraw/zinc/94/68/02/1004946802.db2.gz GXOVZUADGCZIGT-XMSQKQJNSA-N 2 2 415.603 3.546 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943544 1004946805 /nfs/dbraw/zinc/94/68/05/1004946805.db2.gz GXOVZUADGCZIGT-XMSQKQJNSA-N 2 2 415.603 3.546 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc2n[nH]cc2c1 ZINC000513413947 1004953952 /nfs/dbraw/zinc/95/39/52/1004953952.db2.gz AVSBCPYITQPLBZ-HNNXBMFYSA-N 2 2 412.563 3.541 20 0 HHADLP COc1ccccc1C[NH+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000513434228 1004964475 /nfs/dbraw/zinc/96/44/75/1004964475.db2.gz GQQLGTMREKUNCT-UHFFFAOYSA-N 2 2 422.617 3.543 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000502234628 1004971126 /nfs/dbraw/zinc/97/11/26/1004971126.db2.gz SYVOXSPZWJOMKB-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP Cc1[nH+]ccn1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000502278403 1004991095 /nfs/dbraw/zinc/99/10/95/1004991095.db2.gz SORNIXWKNWBLKM-UHFFFAOYSA-N 2 2 402.955 3.814 20 0 HHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314129 1005006805 /nfs/dbraw/zinc/00/68/05/1005006805.db2.gz YDIVCCKNDQWRMS-SVFBPWRDSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314129 1005006809 /nfs/dbraw/zinc/00/68/09/1005006809.db2.gz YDIVCCKNDQWRMS-SVFBPWRDSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314129 1005006810 /nfs/dbraw/zinc/00/68/10/1005006810.db2.gz YDIVCCKNDQWRMS-SVFBPWRDSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314129 1005006813 /nfs/dbraw/zinc/00/68/13/1005006813.db2.gz YDIVCCKNDQWRMS-SVFBPWRDSA-N 2 2 402.583 3.682 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502322059 1005011423 /nfs/dbraw/zinc/01/14/23/1005011423.db2.gz PKGUTYXFXKDRFU-GOSISDBHSA-N 2 2 419.529 3.760 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502322059 1005011430 /nfs/dbraw/zinc/01/14/30/1005011430.db2.gz PKGUTYXFXKDRFU-GOSISDBHSA-N 2 2 419.529 3.760 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CC1 ZINC000511343171 1005131679 /nfs/dbraw/zinc/13/16/79/1005131679.db2.gz MDUOTFNWKPFECD-JOCHJYFZSA-N 2 2 402.558 3.525 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)CC1 ZINC000511343172 1005131732 /nfs/dbraw/zinc/13/17/32/1005131732.db2.gz MDUOTFNWKPFECD-QFIPXVFZSA-N 2 2 402.558 3.525 20 0 HHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000511372091 1005144158 /nfs/dbraw/zinc/14/41/58/1005144158.db2.gz FZJNTMVBNAUVKZ-QFIPXVFZSA-N 2 2 409.578 3.782 20 0 HHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000511372091 1005144161 /nfs/dbraw/zinc/14/41/61/1005144161.db2.gz FZJNTMVBNAUVKZ-QFIPXVFZSA-N 2 2 409.578 3.782 20 0 HHADLP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513988218 1005215327 /nfs/dbraw/zinc/21/53/27/1005215327.db2.gz VYJVMLATDZYBJW-KRWDZBQOSA-N 2 2 417.847 3.645 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000514214395 1005316605 /nfs/dbraw/zinc/31/66/05/1005316605.db2.gz MYLLSPSNRYUEAA-BEFAXECRSA-N 2 2 421.948 3.756 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000514220476 1005319351 /nfs/dbraw/zinc/31/93/51/1005319351.db2.gz XWHIMCGITDEEFP-JOCHJYFZSA-N 2 2 405.546 3.625 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503054787 1005329913 /nfs/dbraw/zinc/32/99/13/1005329913.db2.gz UMUKHPYFBRWJCE-AUSIDOKSSA-N 2 2 404.514 3.984 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503054787 1005329916 /nfs/dbraw/zinc/32/99/16/1005329916.db2.gz UMUKHPYFBRWJCE-AUSIDOKSSA-N 2 2 404.514 3.984 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000503061319 1005332896 /nfs/dbraw/zinc/33/28/96/1005332896.db2.gz FNYNTZNYXCOBGU-CRAIPNDOSA-N 2 2 404.474 3.980 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000503061319 1005332900 /nfs/dbraw/zinc/33/29/00/1005332900.db2.gz FNYNTZNYXCOBGU-CRAIPNDOSA-N 2 2 404.474 3.980 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000503062588 1005333191 /nfs/dbraw/zinc/33/31/91/1005333191.db2.gz KAEMJHCYYIZFQS-QFIPXVFZSA-N 2 2 419.529 3.793 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000503062588 1005333197 /nfs/dbraw/zinc/33/31/97/1005333197.db2.gz KAEMJHCYYIZFQS-QFIPXVFZSA-N 2 2 419.529 3.793 20 0 HHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073519 1005338036 /nfs/dbraw/zinc/33/80/36/1005338036.db2.gz HQISGEGVCRHZSJ-ZHALLVOQSA-N 2 2 401.580 3.977 20 0 HHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503073519 1005338042 /nfs/dbraw/zinc/33/80/42/1005338042.db2.gz HQISGEGVCRHZSJ-ZHALLVOQSA-N 2 2 401.580 3.977 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503095236 1005345961 /nfs/dbraw/zinc/34/59/61/1005345961.db2.gz MEHZCXMHHUXOJN-LRQRDZAKSA-N 2 2 406.534 3.596 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503095236 1005345963 /nfs/dbraw/zinc/34/59/63/1005345963.db2.gz MEHZCXMHHUXOJN-LRQRDZAKSA-N 2 2 406.534 3.596 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000503255058 1005377877 /nfs/dbraw/zinc/37/78/77/1005377877.db2.gz HQVCLKZECGSCFZ-HNNXBMFYSA-N 2 2 400.394 3.656 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000503255058 1005377880 /nfs/dbraw/zinc/37/78/80/1005377880.db2.gz HQVCLKZECGSCFZ-HNNXBMFYSA-N 2 2 400.394 3.656 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000503455839 1005425578 /nfs/dbraw/zinc/42/55/78/1005425578.db2.gz CFBMFEVNHSDBQL-BGYRXZFFSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000503455839 1005425580 /nfs/dbraw/zinc/42/55/80/1005425580.db2.gz CFBMFEVNHSDBQL-BGYRXZFFSA-N 2 2 409.578 3.908 20 0 HHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000531142451 1006015884 /nfs/dbraw/zinc/01/58/84/1006015884.db2.gz AJAMPXSFASGPMN-UHFFFAOYSA-N 2 2 405.454 3.763 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000531201381 1006042854 /nfs/dbraw/zinc/04/28/54/1006042854.db2.gz LIWWKXCDOXLUFC-RUZDIDTESA-N 2 2 414.553 3.716 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000531201381 1006042863 /nfs/dbraw/zinc/04/28/63/1006042863.db2.gz LIWWKXCDOXLUFC-RUZDIDTESA-N 2 2 414.553 3.716 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128916 1006105275 /nfs/dbraw/zinc/10/52/75/1006105275.db2.gz ULDUXAKCXJSNIL-UHFFFAOYSA-N 2 2 407.345 3.923 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139908 1006119882 /nfs/dbraw/zinc/11/98/82/1006119882.db2.gz PZAKLJLOZSUFKV-RTWAWAEBSA-N 2 2 400.954 3.758 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139908 1006119887 /nfs/dbraw/zinc/11/98/87/1006119887.db2.gz PZAKLJLOZSUFKV-RTWAWAEBSA-N 2 2 400.954 3.758 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193719 1006184048 /nfs/dbraw/zinc/18/40/48/1006184048.db2.gz ARNMYYYOHGGJOP-WOJBJXKFSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193719 1006184051 /nfs/dbraw/zinc/18/40/51/1006184051.db2.gz ARNMYYYOHGGJOP-WOJBJXKFSA-N 2 2 418.582 3.505 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236260 1006241046 /nfs/dbraw/zinc/24/10/46/1006241046.db2.gz RMPUUKJETQRYFO-XLIONFOSSA-N 2 2 421.948 3.709 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236260 1006241058 /nfs/dbraw/zinc/24/10/58/1006241058.db2.gz RMPUUKJETQRYFO-XLIONFOSSA-N 2 2 421.948 3.709 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358436 1006320165 /nfs/dbraw/zinc/32/01/65/1006320165.db2.gz KTXJZPUUZQOFKR-BJKOFHAPSA-N 2 2 424.589 3.653 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358436 1006320175 /nfs/dbraw/zinc/32/01/75/1006320175.db2.gz KTXJZPUUZQOFKR-BJKOFHAPSA-N 2 2 424.589 3.653 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358916 1006321615 /nfs/dbraw/zinc/32/16/15/1006321615.db2.gz QHSZPIAFKCBNTA-PMACEKPBSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358916 1006321627 /nfs/dbraw/zinc/32/16/27/1006321627.db2.gz QHSZPIAFKCBNTA-PMACEKPBSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361366 1006325755 /nfs/dbraw/zinc/32/57/55/1006325755.db2.gz YCSKFUDAUCKDKD-ZEQRLZLVSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cn(C)c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361366 1006325767 /nfs/dbraw/zinc/32/57/67/1006325767.db2.gz YCSKFUDAUCKDKD-ZEQRLZLVSA-N 2 2 410.606 3.516 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360821 1006326082 /nfs/dbraw/zinc/32/60/82/1006326082.db2.gz QMHWMWVXILMBDE-SFTDATJTSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360821 1006326089 /nfs/dbraw/zinc/32/60/89/1006326089.db2.gz QMHWMWVXILMBDE-SFTDATJTSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375535 1006342931 /nfs/dbraw/zinc/34/29/31/1006342931.db2.gz IUTCKHLWSGROSC-QZTJIDSGSA-N 2 2 413.031 3.880 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375535 1006342941 /nfs/dbraw/zinc/34/29/41/1006342941.db2.gz IUTCKHLWSGROSC-QZTJIDSGSA-N 2 2 413.031 3.880 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534377493 1006346309 /nfs/dbraw/zinc/34/63/09/1006346309.db2.gz ZOZSSOXINVYDFV-ZWKOTPCHSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534377493 1006346321 /nfs/dbraw/zinc/34/63/21/1006346321.db2.gz ZOZSSOXINVYDFV-ZWKOTPCHSA-N 2 2 410.965 3.833 20 0 HHADLP CN(C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384586 1006356483 /nfs/dbraw/zinc/35/64/83/1006356483.db2.gz LMGPABGFPHZKIR-HNRDJRCMSA-N 2 2 424.633 3.693 20 0 HHADLP CN(C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384586 1006356495 /nfs/dbraw/zinc/35/64/95/1006356495.db2.gz LMGPABGFPHZKIR-HNRDJRCMSA-N 2 2 424.633 3.693 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386441 1006359338 /nfs/dbraw/zinc/35/93/38/1006359338.db2.gz ZTJZNIXROMXWCZ-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386441 1006359352 /nfs/dbraw/zinc/35/93/52/1006359352.db2.gz ZTJZNIXROMXWCZ-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000531709585 1006369668 /nfs/dbraw/zinc/36/96/68/1006369668.db2.gz XZWPORWOWOKOQF-NBGIEHNGSA-N 3 2 403.574 3.820 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710485 1006370249 /nfs/dbraw/zinc/37/02/49/1006370249.db2.gz REQFMZRKYLNEIR-UKRRQHHQSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710485 1006370262 /nfs/dbraw/zinc/37/02/62/1006370262.db2.gz REQFMZRKYLNEIR-UKRRQHHQSA-N 2 2 421.891 3.776 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711948 1006372071 /nfs/dbraw/zinc/37/20/71/1006372071.db2.gz UJIWQMATZAOTAA-UYAOXDASSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711948 1006372088 /nfs/dbraw/zinc/37/20/88/1006372088.db2.gz UJIWQMATZAOTAA-UYAOXDASSA-N 2 2 411.546 3.675 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000534528678 1006521473 /nfs/dbraw/zinc/52/14/73/1006521473.db2.gz GGIPZPQHLSPKGJ-KNQAVFIVSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000534528678 1006521483 /nfs/dbraw/zinc/52/14/83/1006521483.db2.gz GGIPZPQHLSPKGJ-KNQAVFIVSA-N 2 2 412.603 3.628 20 0 HHADLP FC(F)(F)c1ccc(N2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)nc1 ZINC000531947035 1006537964 /nfs/dbraw/zinc/53/79/64/1006537964.db2.gz OPJZVHCCBAWXHL-UHFFFAOYSA-N 2 2 405.468 3.723 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534553185 1006544006 /nfs/dbraw/zinc/54/40/06/1006544006.db2.gz GIYYGPNTTCSWCT-NRFANRHFSA-N 2 2 413.525 3.848 20 0 HHADLP c1ccc(OCCOc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cn2)cc1 ZINC000531954715 1006543856 /nfs/dbraw/zinc/54/38/56/1006543856.db2.gz OJLNPDSXISDXPW-UHFFFAOYSA-N 2 2 404.514 3.693 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534553185 1006544017 /nfs/dbraw/zinc/54/40/17/1006544017.db2.gz GIYYGPNTTCSWCT-NRFANRHFSA-N 2 2 413.525 3.848 20 0 HHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000532219847 1006730386 /nfs/dbraw/zinc/73/03/86/1006730386.db2.gz VRLMMTGYUZVYEU-LJQANCHMSA-N 2 2 412.603 3.972 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@H](C)[C@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535615 1006797642 /nfs/dbraw/zinc/79/76/42/1006797642.db2.gz SFCIPRUXPJXUGI-ATIYNZHBSA-N 2 2 422.617 3.698 20 0 HHADLP CCN1CC[NH+](Cc2ccc(N[C@H](C)[C@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535615 1006797652 /nfs/dbraw/zinc/79/76/52/1006797652.db2.gz SFCIPRUXPJXUGI-ATIYNZHBSA-N 2 2 422.617 3.698 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601947 1006873245 /nfs/dbraw/zinc/87/32/45/1006873245.db2.gz FKPVMWDQDFJARR-QSFXBCCZSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601947 1006873255 /nfs/dbraw/zinc/87/32/55/1006873255.db2.gz FKPVMWDQDFJARR-QSFXBCCZSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601947 1006873258 /nfs/dbraw/zinc/87/32/58/1006873258.db2.gz FKPVMWDQDFJARR-QSFXBCCZSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601947 1006873268 /nfs/dbraw/zinc/87/32/68/1006873268.db2.gz FKPVMWDQDFJARR-QSFXBCCZSA-N 2 2 413.990 3.556 20 0 HHADLP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC000532447987 1006889508 /nfs/dbraw/zinc/88/95/08/1006889508.db2.gz KHHSATQOMOBIGG-INIZCTEOSA-N 2 2 401.551 3.786 20 0 HHADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC000532447992 1006890268 /nfs/dbraw/zinc/89/02/68/1006890268.db2.gz KHHSATQOMOBIGG-MRXNPFEDSA-N 2 2 401.551 3.786 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Br)ccc1F ZINC000532451527 1006893952 /nfs/dbraw/zinc/89/39/52/1006893952.db2.gz CCXCSWWANKOFFU-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c2ccccc2)CC1 ZINC000516149609 1006918754 /nfs/dbraw/zinc/91/87/54/1006918754.db2.gz BRQROEIFYLHNHP-QFIPXVFZSA-N 2 2 409.578 3.534 20 0 HHADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000532486814 1006927632 /nfs/dbraw/zinc/92/76/32/1006927632.db2.gz QPDOMZYVKSUUQD-UHFFFAOYSA-N 2 2 402.764 3.705 20 0 HHADLP O=S(=O)(Nc1ccc(F)cc1)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000532519132 1006956845 /nfs/dbraw/zinc/95/68/45/1006956845.db2.gz SSPGQDIZIPZRFN-UHFFFAOYSA-N 2 2 417.550 3.591 20 0 HHADLP COc1nc2ccccc2cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724078 1007002298 /nfs/dbraw/zinc/00/22/98/1007002298.db2.gz QNNKZRYXHRCPFD-UHFFFAOYSA-N 3 2 410.606 3.872 20 0 HHADLP COc1nc2ccccc2cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724078 1007002313 /nfs/dbraw/zinc/00/23/13/1007002313.db2.gz QNNKZRYXHRCPFD-UHFFFAOYSA-N 3 2 410.606 3.872 20 0 HHADLP CC[N@H+](Cc1cnc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729081 1007008388 /nfs/dbraw/zinc/00/83/88/1007008388.db2.gz PXANQRPPNAJUJE-UHFFFAOYSA-N 2 2 423.609 3.790 20 0 HHADLP CC[N@@H+](Cc1cnc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729081 1007008402 /nfs/dbraw/zinc/00/84/02/1007008402.db2.gz PXANQRPPNAJUJE-UHFFFAOYSA-N 2 2 423.609 3.790 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538797749 1007079138 /nfs/dbraw/zinc/07/91/38/1007079138.db2.gz XHCKNZGKTNOWBL-VQIMIIECSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538797749 1007079149 /nfs/dbraw/zinc/07/91/49/1007079149.db2.gz XHCKNZGKTNOWBL-VQIMIIECSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538797749 1007079163 /nfs/dbraw/zinc/07/91/63/1007079163.db2.gz XHCKNZGKTNOWBL-VQIMIIECSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538797749 1007079179 /nfs/dbraw/zinc/07/91/79/1007079179.db2.gz XHCKNZGKTNOWBL-VQIMIIECSA-N 2 2 411.384 3.781 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093831 1007108317 /nfs/dbraw/zinc/10/83/17/1007108317.db2.gz FVXLGXRMYPZGLF-DHIUTWEWSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093831 1007108322 /nfs/dbraw/zinc/10/83/22/1007108322.db2.gz FVXLGXRMYPZGLF-DHIUTWEWSA-N 2 2 408.590 3.952 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095649 1007112019 /nfs/dbraw/zinc/11/20/19/1007112019.db2.gz ORGGDCIMCWSDGG-YTFSRNRJSA-N 2 2 405.627 3.688 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095649 1007112026 /nfs/dbraw/zinc/11/20/26/1007112026.db2.gz ORGGDCIMCWSDGG-YTFSRNRJSA-N 2 2 405.627 3.688 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095672 1007112160 /nfs/dbraw/zinc/11/21/60/1007112160.db2.gz LYMDCRMWQBVQKW-XZOQPEGZSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095672 1007112170 /nfs/dbraw/zinc/11/21/70/1007112170.db2.gz LYMDCRMWQBVQKW-XZOQPEGZSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095544 1007112236 /nfs/dbraw/zinc/11/22/36/1007112236.db2.gz OAEQIHZCODFNBM-RBUKOAKNSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095544 1007112243 /nfs/dbraw/zinc/11/22/43/1007112243.db2.gz OAEQIHZCODFNBM-RBUKOAKNSA-N 2 2 412.500 3.510 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097162 1007115297 /nfs/dbraw/zinc/11/52/97/1007115297.db2.gz XINLITQSOQKWOO-GOTSBHOMSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097162 1007115300 /nfs/dbraw/zinc/11/53/00/1007115300.db2.gz XINLITQSOQKWOO-GOTSBHOMSA-N 2 2 415.622 3.814 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097775 1007116490 /nfs/dbraw/zinc/11/64/90/1007116490.db2.gz XZWBSOSPZMULOG-HBGVWJBISA-N 2 2 404.599 3.581 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097775 1007116491 /nfs/dbraw/zinc/11/64/91/1007116491.db2.gz XZWBSOSPZMULOG-HBGVWJBISA-N 2 2 404.599 3.581 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114369 1007140860 /nfs/dbraw/zinc/14/08/60/1007140860.db2.gz CHAGIEMZAXMQNZ-ORYQWCPZSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114369 1007140866 /nfs/dbraw/zinc/14/08/66/1007140866.db2.gz CHAGIEMZAXMQNZ-ORYQWCPZSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114369 1007140890 /nfs/dbraw/zinc/14/08/90/1007140890.db2.gz CHAGIEMZAXMQNZ-ORYQWCPZSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114369 1007140901 /nfs/dbraw/zinc/14/09/01/1007140901.db2.gz CHAGIEMZAXMQNZ-ORYQWCPZSA-N 2 2 422.976 3.598 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516578703 1007165609 /nfs/dbraw/zinc/16/56/09/1007165609.db2.gz JXXUGBKARGDIAF-RTBURBONSA-N 2 2 401.599 3.628 20 0 HHADLP CCC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000532836324 1007218745 /nfs/dbraw/zinc/21/87/45/1007218745.db2.gz XZERSVDOPJISPV-NRFANRHFSA-N 2 2 409.578 3.991 20 0 HHADLP CCc1c(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]c(C)c1C(C)=O ZINC000538945739 1007230333 /nfs/dbraw/zinc/23/03/33/1007230333.db2.gz NFSRQNPBLWXVPY-UHFFFAOYSA-N 2 2 410.562 3.904 20 0 HHADLP CCc1c(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]c(C)c1C(C)=O ZINC000538945739 1007230344 /nfs/dbraw/zinc/23/03/44/1007230344.db2.gz NFSRQNPBLWXVPY-UHFFFAOYSA-N 2 2 410.562 3.904 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848406 1007235324 /nfs/dbraw/zinc/23/53/24/1007235324.db2.gz DKLRVIJWMPYFIM-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848406 1007235331 /nfs/dbraw/zinc/23/53/31/1007235331.db2.gz DKLRVIJWMPYFIM-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280669 1007332313 /nfs/dbraw/zinc/33/23/13/1007332313.db2.gz IOCZBZVHXLXQCX-LADGPHEKSA-N 2 2 408.590 3.693 20 0 HHADLP COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280669 1007332325 /nfs/dbraw/zinc/33/23/25/1007332325.db2.gz IOCZBZVHXLXQCX-LADGPHEKSA-N 2 2 408.590 3.693 20 0 HHADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000539076597 1007368443 /nfs/dbraw/zinc/36/84/43/1007368443.db2.gz AHNLXCRCDOKIEZ-XZOQPEGZSA-N 2 2 423.605 3.529 20 0 HHADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000539078126 1007368746 /nfs/dbraw/zinc/36/87/46/1007368746.db2.gz MUPBZDZIBHHOBI-LEWJYISDSA-N 2 2 409.578 3.558 20 0 HHADLP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539083546 1007373426 /nfs/dbraw/zinc/37/34/26/1007373426.db2.gz OOUPDCICKAECBY-HNNXBMFYSA-N 2 2 413.319 3.715 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539093766 1007383084 /nfs/dbraw/zinc/38/30/84/1007383084.db2.gz QEMUZTHHOHIKOI-ZCNNSNEGSA-N 2 2 418.541 3.973 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128738 1007442444 /nfs/dbraw/zinc/44/24/44/1007442444.db2.gz BEKWZAIJYZSKBY-HBMCJLEFSA-N 2 2 416.610 3.959 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128738 1007442449 /nfs/dbraw/zinc/44/24/49/1007442449.db2.gz BEKWZAIJYZSKBY-HBMCJLEFSA-N 2 2 416.610 3.959 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000533089406 1007448426 /nfs/dbraw/zinc/44/84/26/1007448426.db2.gz AEHMHBYJLIVJTD-TZIWHRDSSA-N 2 2 414.509 3.959 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539155566 1007453993 /nfs/dbraw/zinc/45/39/93/1007453993.db2.gz PMDZJDYBEGSSEZ-WOJBJXKFSA-N 2 2 421.948 3.899 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539155566 1007454001 /nfs/dbraw/zinc/45/40/01/1007454001.db2.gz PMDZJDYBEGSSEZ-WOJBJXKFSA-N 2 2 421.948 3.899 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172679 1007513556 /nfs/dbraw/zinc/51/35/56/1007513556.db2.gz YWGHNVYUYKOFOV-RYGJVYDSSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172679 1007513564 /nfs/dbraw/zinc/51/35/64/1007513564.db2.gz YWGHNVYUYKOFOV-RYGJVYDSSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172679 1007513567 /nfs/dbraw/zinc/51/35/67/1007513567.db2.gz YWGHNVYUYKOFOV-RYGJVYDSSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172679 1007513570 /nfs/dbraw/zinc/51/35/70/1007513570.db2.gz YWGHNVYUYKOFOV-RYGJVYDSSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172847 1007514976 /nfs/dbraw/zinc/51/49/76/1007514976.db2.gz FKVQBAHRNJFPRA-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172847 1007514983 /nfs/dbraw/zinc/51/49/83/1007514983.db2.gz FKVQBAHRNJFPRA-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173185 1007515664 /nfs/dbraw/zinc/51/56/64/1007515664.db2.gz QSZNGOJUYXHCJP-WOJBJXKFSA-N 2 2 410.965 3.788 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173185 1007515670 /nfs/dbraw/zinc/51/56/70/1007515670.db2.gz QSZNGOJUYXHCJP-WOJBJXKFSA-N 2 2 410.965 3.788 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177929 1007519629 /nfs/dbraw/zinc/51/96/29/1007519629.db2.gz MVWSEHCDBMIQEM-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177929 1007519638 /nfs/dbraw/zinc/51/96/38/1007519638.db2.gz MVWSEHCDBMIQEM-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000539351003 1007652787 /nfs/dbraw/zinc/65/27/87/1007652787.db2.gz WYZSWMDJKDWYLT-SIKLNZKXSA-N 2 2 413.566 3.873 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000539351003 1007652793 /nfs/dbraw/zinc/65/27/93/1007652793.db2.gz WYZSWMDJKDWYLT-SIKLNZKXSA-N 2 2 413.566 3.873 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535655290 1007668190 /nfs/dbraw/zinc/66/81/90/1007668190.db2.gz NOKQAJASRZXCND-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535655290 1007668197 /nfs/dbraw/zinc/66/81/97/1007668197.db2.gz NOKQAJASRZXCND-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CC[N@H+](CC(=O)N1CCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395364 1007707499 /nfs/dbraw/zinc/70/74/99/1007707499.db2.gz SXUSRWDTKMYJMS-UHFFFAOYSA-N 2 2 421.589 3.788 20 0 HHADLP CC[N@@H+](CC(=O)N1CCc2ccccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395364 1007707517 /nfs/dbraw/zinc/70/75/17/1007707517.db2.gz SXUSRWDTKMYJMS-UHFFFAOYSA-N 2 2 421.589 3.788 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c(C2CC2)nc2sccn12 ZINC000539403759 1007711488 /nfs/dbraw/zinc/71/14/88/1007711488.db2.gz CAJFSZRGOCYFMO-UHFFFAOYSA-N 3 2 415.651 3.901 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c(C2CC2)nc2sccn12 ZINC000539403759 1007711498 /nfs/dbraw/zinc/71/14/98/1007711498.db2.gz CAJFSZRGOCYFMO-UHFFFAOYSA-N 3 2 415.651 3.901 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443636 1007754713 /nfs/dbraw/zinc/75/47/13/1007754713.db2.gz UKIXHLGHGDOALC-ZWKOTPCHSA-N 2 2 422.643 3.538 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443636 1007754722 /nfs/dbraw/zinc/75/47/22/1007754722.db2.gz UKIXHLGHGDOALC-ZWKOTPCHSA-N 2 2 422.643 3.538 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000539461642 1007773347 /nfs/dbraw/zinc/77/33/47/1007773347.db2.gz VRLVOMLNXAGLMO-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000539461642 1007773352 /nfs/dbraw/zinc/77/33/52/1007773352.db2.gz VRLVOMLNXAGLMO-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000539461642 1007773361 /nfs/dbraw/zinc/77/33/61/1007773361.db2.gz VRLVOMLNXAGLMO-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000539461642 1007773370 /nfs/dbraw/zinc/77/33/70/1007773370.db2.gz VRLVOMLNXAGLMO-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000533482629 1007790883 /nfs/dbraw/zinc/79/08/83/1007790883.db2.gz TZHGFHSXBJKCDN-GOSISDBHSA-N 2 2 411.575 3.744 20 0 HHADLP CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000533482629 1007790895 /nfs/dbraw/zinc/79/08/95/1007790895.db2.gz TZHGFHSXBJKCDN-GOSISDBHSA-N 2 2 411.575 3.744 20 0 HHADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793335 1007799409 /nfs/dbraw/zinc/79/94/09/1007799409.db2.gz WPPIFELPYCQFLN-BJKOFHAPSA-N 2 2 424.589 3.817 20 0 HHADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793335 1007799414 /nfs/dbraw/zinc/79/94/14/1007799414.db2.gz WPPIFELPYCQFLN-BJKOFHAPSA-N 2 2 424.589 3.817 20 0 HHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539495299 1007806987 /nfs/dbraw/zinc/80/69/87/1007806987.db2.gz LCFFEYSZJLOPBK-GOSISDBHSA-N 2 2 406.530 3.780 20 0 HHADLP c1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539508365 1007817555 /nfs/dbraw/zinc/81/75/55/1007817555.db2.gz OBQHDHFVXGIFDR-PKTZIBPZSA-N 2 2 421.589 3.803 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849587 1007862041 /nfs/dbraw/zinc/86/20/41/1007862041.db2.gz JKWHGMCJUWVQNC-PTUXOGIPSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849587 1007862054 /nfs/dbraw/zinc/86/20/54/1007862054.db2.gz JKWHGMCJUWVQNC-PTUXOGIPSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851456 1007865048 /nfs/dbraw/zinc/86/50/48/1007865048.db2.gz ARTYZQIXWVVPCJ-MSOLQXFVSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851456 1007865055 /nfs/dbraw/zinc/86/50/55/1007865055.db2.gz ARTYZQIXWVVPCJ-MSOLQXFVSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851968 1007866514 /nfs/dbraw/zinc/86/65/14/1007866514.db2.gz YRZFJYGRPVXVQJ-VXKWHMMOSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851968 1007866522 /nfs/dbraw/zinc/86/65/22/1007866522.db2.gz YRZFJYGRPVXVQJ-VXKWHMMOSA-N 2 2 419.585 3.780 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876412 1007894359 /nfs/dbraw/zinc/89/43/59/1007894359.db2.gz MMIAHMBKFQPIHI-OTWHNJEPSA-N 2 2 407.628 3.573 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876412 1007894372 /nfs/dbraw/zinc/89/43/72/1007894372.db2.gz MMIAHMBKFQPIHI-OTWHNJEPSA-N 2 2 407.628 3.573 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000517684431 1007899084 /nfs/dbraw/zinc/89/90/84/1007899084.db2.gz ILDAUAYCJBFQAA-QHCPKHFHSA-N 2 2 421.545 3.763 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535928037 1007950624 /nfs/dbraw/zinc/95/06/24/1007950624.db2.gz FLZSDRKUPWJGJC-UIFIKXQLSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535928037 1007950631 /nfs/dbraw/zinc/95/06/31/1007950631.db2.gz FLZSDRKUPWJGJC-UIFIKXQLSA-N 2 2 422.976 3.598 20 0 HHADLP CCC1(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000535930330 1007955637 /nfs/dbraw/zinc/95/56/37/1007955637.db2.gz OFGMVZXAVFNHTB-OAQYLSRUSA-N 2 2 409.578 3.611 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646884 1007955985 /nfs/dbraw/zinc/95/59/85/1007955985.db2.gz HLEGTLUXLCUMDJ-LOSJGSFVSA-N 2 2 424.633 3.999 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646884 1007955992 /nfs/dbraw/zinc/95/59/92/1007955992.db2.gz HLEGTLUXLCUMDJ-LOSJGSFVSA-N 2 2 424.633 3.999 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646737 1007956127 /nfs/dbraw/zinc/95/61/27/1007956127.db2.gz GJRZMBJCCQDSGO-FGZHOGPDSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646737 1007956139 /nfs/dbraw/zinc/95/61/39/1007956139.db2.gz GJRZMBJCCQDSGO-FGZHOGPDSA-N 2 2 403.636 3.964 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647509 1007957299 /nfs/dbraw/zinc/95/72/99/1007957299.db2.gz HNWLHILHBFOINP-SFTDATJTSA-N 2 2 417.594 3.503 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647509 1007957302 /nfs/dbraw/zinc/95/73/02/1007957302.db2.gz HNWLHILHBFOINP-SFTDATJTSA-N 2 2 417.594 3.503 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648402 1007957904 /nfs/dbraw/zinc/95/79/04/1007957904.db2.gz NFKFXNHQFSMUDP-OALUTQOASA-N 2 2 406.640 3.984 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648402 1007957910 /nfs/dbraw/zinc/95/79/10/1007957910.db2.gz NFKFXNHQFSMUDP-OALUTQOASA-N 2 2 406.640 3.984 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649369 1007959666 /nfs/dbraw/zinc/95/96/66/1007959666.db2.gz WWYSVHXIEVXEAZ-UXHICEINSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649369 1007959681 /nfs/dbraw/zinc/95/96/81/1007959681.db2.gz WWYSVHXIEVXEAZ-UXHICEINSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COC/C=C\c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649807 1007961745 /nfs/dbraw/zinc/96/17/45/1007961745.db2.gz XTMHUBVWWPKUMI-OXDMUUEMSA-N 2 2 413.606 3.512 20 0 HHADLP CN(C(=O)COC/C=C\c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649807 1007961751 /nfs/dbraw/zinc/96/17/51/1007961751.db2.gz XTMHUBVWWPKUMI-OXDMUUEMSA-N 2 2 413.606 3.512 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000539658409 1007973774 /nfs/dbraw/zinc/97/37/74/1007973774.db2.gz YKARADMOVIMZJQ-WIYYLYMNSA-N 2 2 420.561 3.708 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000517804789 1007981608 /nfs/dbraw/zinc/98/16/08/1007981608.db2.gz FVYJZLCQCGRMRW-UHFFFAOYSA-N 2 2 413.541 3.809 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000517804789 1007981617 /nfs/dbraw/zinc/98/16/17/1007981617.db2.gz FVYJZLCQCGRMRW-UHFFFAOYSA-N 2 2 413.541 3.809 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672907 1007991474 /nfs/dbraw/zinc/99/14/74/1007991474.db2.gz YXCDBNRCKIOAGF-FGZHOGPDSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672907 1007991477 /nfs/dbraw/zinc/99/14/77/1007991477.db2.gz YXCDBNRCKIOAGF-FGZHOGPDSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672906 1007991738 /nfs/dbraw/zinc/99/17/38/1007991738.db2.gz YXCDBNRCKIOAGF-FCHUYYIVSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672906 1007991743 /nfs/dbraw/zinc/99/17/43/1007991743.db2.gz YXCDBNRCKIOAGF-FCHUYYIVSA-N 2 2 421.029 3.861 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683811 1008008064 /nfs/dbraw/zinc/00/80/64/1008008064.db2.gz VMPBCWYENHJGDY-TZIWHRDSSA-N 2 2 419.928 3.595 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683811 1008008072 /nfs/dbraw/zinc/00/80/72/1008008072.db2.gz VMPBCWYENHJGDY-TZIWHRDSSA-N 2 2 419.928 3.595 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1)[NH+]1CCOCC1 ZINC000517903712 1008048305 /nfs/dbraw/zinc/04/83/05/1008048305.db2.gz UUFZFQAKDKELBL-HXUWFJFHSA-N 2 2 402.583 3.713 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)[NH+]2CCCC2)cc1 ZINC000536015085 1008055790 /nfs/dbraw/zinc/05/57/90/1008055790.db2.gz UCOPNSHXKFEZDL-JOCHJYFZSA-N 2 2 412.603 3.721 20 0 HHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000539864127 1008148526 /nfs/dbraw/zinc/14/85/26/1008148526.db2.gz YNAQHPUIEQYPQX-LJQANCHMSA-N 2 2 410.002 3.738 20 0 HHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000539864127 1008148535 /nfs/dbraw/zinc/14/85/35/1008148535.db2.gz YNAQHPUIEQYPQX-LJQANCHMSA-N 2 2 410.002 3.738 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000518252962 1008227364 /nfs/dbraw/zinc/22/73/64/1008227364.db2.gz MSNLTYXQDCQLHO-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000518410141 1008293795 /nfs/dbraw/zinc/29/37/95/1008293795.db2.gz KOHLOZJIHFNDEF-CWAQXLGLSA-N 2 2 400.526 3.857 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000518410141 1008293800 /nfs/dbraw/zinc/29/38/00/1008293800.db2.gz KOHLOZJIHFNDEF-CWAQXLGLSA-N 2 2 400.526 3.857 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540242412 1008349673 /nfs/dbraw/zinc/34/96/73/1008349673.db2.gz KJUUGWXLNMYTMQ-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540242412 1008349675 /nfs/dbraw/zinc/34/96/75/1008349675.db2.gz KJUUGWXLNMYTMQ-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248797 1008352383 /nfs/dbraw/zinc/35/23/83/1008352383.db2.gz UJDUFJLVNRYPCN-ZCNNSNEGSA-N 2 2 413.562 3.993 20 0 HHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248797 1008352386 /nfs/dbraw/zinc/35/23/86/1008352386.db2.gz UJDUFJLVNRYPCN-ZCNNSNEGSA-N 2 2 413.562 3.993 20 0 HHADLP CC(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000540300268 1008372366 /nfs/dbraw/zinc/37/23/66/1008372366.db2.gz AUIYDCOIYJYTSP-QFIPXVFZSA-N 2 2 400.954 3.761 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540308379 1008374787 /nfs/dbraw/zinc/37/47/87/1008374787.db2.gz MUMYVHIMTVHPSK-NMNUPHIUSA-N 2 2 415.626 3.684 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540308379 1008374793 /nfs/dbraw/zinc/37/47/93/1008374793.db2.gz MUMYVHIMTVHPSK-NMNUPHIUSA-N 2 2 415.626 3.684 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)CC2)CC1 ZINC000518670157 1008386021 /nfs/dbraw/zinc/38/60/21/1008386021.db2.gz YARAMTODMYONCM-DEOSSOPVSA-N 2 2 423.605 3.963 20 0 HHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000540363779 1008400901 /nfs/dbraw/zinc/40/09/01/1008400901.db2.gz UMRYDHNOLMRDBS-INIZCTEOSA-N 2 2 402.564 3.815 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1F ZINC000540386276 1008410911 /nfs/dbraw/zinc/41/09/11/1008410911.db2.gz REEAZGNMRGGPBI-OAHLLOKOSA-N 2 2 405.514 3.803 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540559030 1008481507 /nfs/dbraw/zinc/48/15/07/1008481507.db2.gz UUTOYIFJGJBSER-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540559030 1008481508 /nfs/dbraw/zinc/48/15/08/1008481508.db2.gz UUTOYIFJGJBSER-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000519036765 1008507845 /nfs/dbraw/zinc/50/78/45/1008507845.db2.gz HARXLFMIPPCMQV-UHFFFAOYSA-N 2 2 421.526 3.593 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c1 ZINC000519202168 1008607480 /nfs/dbraw/zinc/60/74/80/1008607480.db2.gz CHJQPXSWRUHEJT-UHFFFAOYSA-N 2 2 402.498 3.665 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543039521 1008620902 /nfs/dbraw/zinc/62/09/02/1008620902.db2.gz OKRMSKTUJLQFBR-SFTDATJTSA-N 2 2 403.615 3.843 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+]2CCCC2)o1 ZINC000543041054 1008622817 /nfs/dbraw/zinc/62/28/17/1008622817.db2.gz NQSRLFFGGGYHSR-OAQYLSRUSA-N 2 2 413.566 3.823 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040808 1008623077 /nfs/dbraw/zinc/62/30/77/1008623077.db2.gz KTMRPDVHXUIGAL-ZJSXRUAMSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040808 1008623088 /nfs/dbraw/zinc/62/30/88/1008623088.db2.gz KTMRPDVHXUIGAL-ZJSXRUAMSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543041994 1008623885 /nfs/dbraw/zinc/62/38/85/1008623885.db2.gz VXQJICSYXWJWAK-HXUWFJFHSA-N 2 2 424.593 3.706 20 0 HHADLP CCc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108508 1008680913 /nfs/dbraw/zinc/68/09/13/1008680913.db2.gz WDQLILPGYGRBKA-DHIUTWEWSA-N 2 2 417.642 3.511 20 0 HHADLP CCc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108508 1008680918 /nfs/dbraw/zinc/68/09/18/1008680918.db2.gz WDQLILPGYGRBKA-DHIUTWEWSA-N 2 2 417.642 3.511 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109664 1008682933 /nfs/dbraw/zinc/68/29/33/1008682933.db2.gz RMXICCJDWGPJFH-JZSMFLHNSA-N 2 2 401.639 3.998 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109664 1008682939 /nfs/dbraw/zinc/68/29/39/1008682939.db2.gz RMXICCJDWGPJFH-JZSMFLHNSA-N 2 2 401.639 3.998 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000549167356 1008740641 /nfs/dbraw/zinc/74/06/41/1008740641.db2.gz UIGDQKGREYNYQD-HXUWFJFHSA-N 2 2 412.603 3.851 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000549167356 1008740656 /nfs/dbraw/zinc/74/06/56/1008740656.db2.gz UIGDQKGREYNYQD-HXUWFJFHSA-N 2 2 412.603 3.851 20 0 HHADLP CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000543502731 1009091706 /nfs/dbraw/zinc/09/17/06/1009091706.db2.gz GFUOSSSWTNNGKN-DLBZAZTESA-N 2 2 400.592 3.525 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543514568 1009104892 /nfs/dbraw/zinc/10/48/92/1009104892.db2.gz QZWQZWKUBDHKQL-LNLFQRSKSA-N 2 2 414.619 3.870 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543514568 1009104900 /nfs/dbraw/zinc/10/49/00/1009104900.db2.gz QZWQZWKUBDHKQL-LNLFQRSKSA-N 2 2 414.619 3.870 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000543518248 1009108699 /nfs/dbraw/zinc/10/86/99/1009108699.db2.gz IGOUSXBEFOJHSY-AEFFLSMTSA-N 2 2 400.592 3.630 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+](C)C)cc1 ZINC000543552776 1009156771 /nfs/dbraw/zinc/15/67/71/1009156771.db2.gz FKXRPKQPIKHCTH-JOCHJYFZSA-N 2 2 403.530 3.738 20 0 HHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000520046010 1009207623 /nfs/dbraw/zinc/20/76/23/1009207623.db2.gz HUDWWMXZPJWQDE-UHFFFAOYSA-N 2 2 423.605 3.778 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1C ZINC000549801084 1009406980 /nfs/dbraw/zinc/40/69/80/1009406980.db2.gz QIWGQGJWPMPEPQ-IAGOWNOFSA-N 2 2 418.607 3.990 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000543988002 1009586942 /nfs/dbraw/zinc/58/69/42/1009586942.db2.gz UIYQARSPLGTVJW-INIZCTEOSA-N 2 2 412.557 3.622 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000520581414 1009661336 /nfs/dbraw/zinc/66/13/36/1009661336.db2.gz UVCJEQHVZUAIGV-QHCPKHFHSA-N 2 2 412.553 3.583 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000520581414 1009661342 /nfs/dbraw/zinc/66/13/42/1009661342.db2.gz UVCJEQHVZUAIGV-QHCPKHFHSA-N 2 2 412.553 3.583 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546688280 1009681404 /nfs/dbraw/zinc/68/14/04/1009681404.db2.gz GTWZOCPJBNSVCK-ACESQOTJSA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546688280 1009681413 /nfs/dbraw/zinc/68/14/13/1009681413.db2.gz GTWZOCPJBNSVCK-ACESQOTJSA-N 2 2 401.570 3.725 20 0 HHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238086 1009796655 /nfs/dbraw/zinc/79/66/55/1009796655.db2.gz QBBRONOMOBYZTI-RSXGOPAZSA-N 2 2 403.570 3.578 20 0 HHADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238086 1009796673 /nfs/dbraw/zinc/79/66/73/1009796673.db2.gz QBBRONOMOBYZTI-RSXGOPAZSA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238086 1009796688 /nfs/dbraw/zinc/79/66/88/1009796688.db2.gz QBBRONOMOBYZTI-RSXGOPAZSA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238086 1009796704 /nfs/dbraw/zinc/79/67/04/1009796704.db2.gz QBBRONOMOBYZTI-RSXGOPAZSA-N 2 2 403.570 3.578 20 0 HHADLP CC[N@H+](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1Cl ZINC000550245110 1009800708 /nfs/dbraw/zinc/80/07/08/1009800708.db2.gz CEQXTODFZPRUTA-UHFFFAOYSA-N 2 2 413.993 3.985 20 0 HHADLP CC[N@@H+](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1Cl ZINC000550245110 1009800728 /nfs/dbraw/zinc/80/07/28/1009800728.db2.gz CEQXTODFZPRUTA-UHFFFAOYSA-N 2 2 413.993 3.985 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546907378 1009865554 /nfs/dbraw/zinc/86/55/54/1009865554.db2.gz NFYQYGZCHXEXDT-NJAFHUGGSA-N 2 2 406.537 3.696 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546907378 1009865569 /nfs/dbraw/zinc/86/55/69/1009865569.db2.gz NFYQYGZCHXEXDT-NJAFHUGGSA-N 2 2 406.537 3.696 20 0 HHADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520883070 1009938775 /nfs/dbraw/zinc/93/87/75/1009938775.db2.gz XWEHXKZHOFAYTR-GCJKJVERSA-N 2 2 415.965 3.523 20 0 HHADLP C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000520955652 1010004633 /nfs/dbraw/zinc/00/46/33/1010004633.db2.gz CLKWZQPHFXXAEO-IBGZPJMESA-N 2 2 424.570 3.583 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000544395472 1010015886 /nfs/dbraw/zinc/01/58/86/1010015886.db2.gz WUAKKCYXWYMQGT-JOCHJYFZSA-N 2 2 424.570 3.617 20 0 HHADLP c1cn(CCc2nc(-c3ccccc3-c3ccc(C[NH+]4CCOCC4)cc3)no2)c[nH+]1 ZINC000547085201 1010036520 /nfs/dbraw/zinc/03/65/20/1010036520.db2.gz PWFKQFNHKYNIDH-UHFFFAOYSA-N 2 2 415.497 3.675 20 0 HHADLP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419772 1010037947 /nfs/dbraw/zinc/03/79/47/1010037947.db2.gz NBGUHSMNFWNYPQ-IRXDYDNUSA-N 2 2 400.592 3.892 20 0 HHADLP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419772 1010037962 /nfs/dbraw/zinc/03/79/62/1010037962.db2.gz NBGUHSMNFWNYPQ-IRXDYDNUSA-N 2 2 400.592 3.892 20 0 HHADLP Cc1csc([C@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C2CC2)n1 ZINC000544438429 1010063419 /nfs/dbraw/zinc/06/34/19/1010063419.db2.gz DMOWUDNPEVUULR-HXUWFJFHSA-N 2 2 416.616 3.680 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nc(C)cs1 ZINC000544452009 1010075020 /nfs/dbraw/zinc/07/50/20/1010075020.db2.gz LIDZKHLNHVEHTB-SFHVURJKSA-N 2 2 404.605 3.680 20 0 HHADLP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550647540 1010081076 /nfs/dbraw/zinc/08/10/76/1010081076.db2.gz OKYYNGBTILGAIB-JWQCQUIFSA-N 2 2 405.586 3.893 20 0 HHADLP C[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550647540 1010081097 /nfs/dbraw/zinc/08/10/97/1010081097.db2.gz OKYYNGBTILGAIB-JWQCQUIFSA-N 2 2 405.586 3.893 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544508381 1010130076 /nfs/dbraw/zinc/13/00/76/1010130076.db2.gz LXQGKZTYBYFFFW-HDICACEKSA-N 2 2 409.578 3.883 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544508381 1010130082 /nfs/dbraw/zinc/13/00/82/1010130082.db2.gz LXQGKZTYBYFFFW-HDICACEKSA-N 2 2 409.578 3.883 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)c2)cc[nH+]1 ZINC000544508847 1010130117 /nfs/dbraw/zinc/13/01/17/1010130117.db2.gz LOCBOEJGJBTGQB-JOCHJYFZSA-N 2 2 409.578 3.883 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000521163639 1010195223 /nfs/dbraw/zinc/19/52/23/1010195223.db2.gz XYFRTYWROZVBGK-IBGZPJMESA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000521163639 1010195231 /nfs/dbraw/zinc/19/52/31/1010195231.db2.gz XYFRTYWROZVBGK-IBGZPJMESA-N 2 2 410.965 3.616 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000547326707 1010253602 /nfs/dbraw/zinc/25/36/02/1010253602.db2.gz AOKMNLGOYLBKBZ-JOCHJYFZSA-N 2 2 422.013 3.702 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688579 1010301802 /nfs/dbraw/zinc/30/18/02/1010301802.db2.gz VAVMABKKLQERQR-RRIAHRGQSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688579 1010301812 /nfs/dbraw/zinc/30/18/12/1010301812.db2.gz VAVMABKKLQERQR-RRIAHRGQSA-N 2 2 422.658 3.560 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511429 1010334315 /nfs/dbraw/zinc/33/43/15/1010334315.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511429 1010334328 /nfs/dbraw/zinc/33/43/28/1010334328.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(Br)c1 ZINC000551275448 1010489029 /nfs/dbraw/zinc/48/90/29/1010489029.db2.gz RZTRYQQKQWANAN-RDTXWAMCSA-N 2 2 407.327 3.658 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(Br)c1 ZINC000551275448 1010489035 /nfs/dbraw/zinc/48/90/35/1010489035.db2.gz RZTRYQQKQWANAN-RDTXWAMCSA-N 2 2 407.327 3.658 20 0 HHADLP Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c(C)c1 ZINC000548113698 1010535478 /nfs/dbraw/zinc/53/54/78/1010535478.db2.gz RKOGTRGUUQRADC-XMMPIXPASA-N 2 2 421.585 3.617 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)C2)cc1 ZINC000544994147 1010541524 /nfs/dbraw/zinc/54/15/24/1010541524.db2.gz HLZQNTRVJKPFDW-JOCHJYFZSA-N 2 2 418.541 3.948 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)C2)cc1 ZINC000544994147 1010541527 /nfs/dbraw/zinc/54/15/27/1010541527.db2.gz HLZQNTRVJKPFDW-JOCHJYFZSA-N 2 2 418.541 3.948 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000521842780 1010653086 /nfs/dbraw/zinc/65/30/86/1010653086.db2.gz PWSWDWGSAALQCH-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000521842780 1010653094 /nfs/dbraw/zinc/65/30/94/1010653094.db2.gz PWSWDWGSAALQCH-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000548893281 1010753618 /nfs/dbraw/zinc/75/36/18/1010753618.db2.gz SWMWPDVKFRMZFL-BJKOFHAPSA-N 2 2 417.557 3.631 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000548893281 1010753628 /nfs/dbraw/zinc/75/36/28/1010753628.db2.gz SWMWPDVKFRMZFL-BJKOFHAPSA-N 2 2 417.557 3.631 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919575 1010760307 /nfs/dbraw/zinc/76/03/07/1010760307.db2.gz ROJFBVUFKAJBAW-IAGOWNOFSA-N 2 2 403.571 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919575 1010760313 /nfs/dbraw/zinc/76/03/13/1010760313.db2.gz ROJFBVUFKAJBAW-IAGOWNOFSA-N 2 2 403.571 3.506 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC[NH+]3CCCCC3)c2C1 ZINC000545380093 1010763495 /nfs/dbraw/zinc/76/34/95/1010763495.db2.gz ODAMHEONRDWYQU-UHFFFAOYSA-N 2 2 408.590 3.999 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCCC[NH+]3CCCCC3)c2C1 ZINC000545380093 1010763500 /nfs/dbraw/zinc/76/35/00/1010763500.db2.gz ODAMHEONRDWYQU-UHFFFAOYSA-N 2 2 408.590 3.999 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000548931222 1010765698 /nfs/dbraw/zinc/76/56/98/1010765698.db2.gz JMZOYWNWAUJOBB-FQEVSTJZSA-N 2 2 410.949 3.738 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000548931222 1010765706 /nfs/dbraw/zinc/76/57/06/1010765706.db2.gz JMZOYWNWAUJOBB-FQEVSTJZSA-N 2 2 410.949 3.738 20 0 HHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(C(=O)OC)c1 ZINC000548932049 1010766683 /nfs/dbraw/zinc/76/66/83/1010766683.db2.gz NYLVFGPVELNWJZ-JOCHJYFZSA-N 2 2 424.541 3.650 20 0 HHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(C(=O)OC)c1 ZINC000548932049 1010766690 /nfs/dbraw/zinc/76/66/90/1010766690.db2.gz NYLVFGPVELNWJZ-JOCHJYFZSA-N 2 2 424.541 3.650 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000522284008 1010905398 /nfs/dbraw/zinc/90/53/98/1010905398.db2.gz VRRFKDUHIIAHQC-HXUWFJFHSA-N 2 2 409.578 3.512 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3Cc4ccccc4-c4ccccc4C3)CC2)CC1 ZINC000522408378 1010988787 /nfs/dbraw/zinc/98/87/87/1010988787.db2.gz BWYAMTGZVCRZIZ-UHFFFAOYSA-N 2 2 418.585 3.937 20 0 HHADLP CCCn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000522650133 1011137270 /nfs/dbraw/zinc/13/72/70/1011137270.db2.gz WLDZOPBGWYDMLJ-UHFFFAOYSA-N 2 2 409.500 3.614 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)CC1 ZINC000522692838 1011161603 /nfs/dbraw/zinc/16/16/03/1011161603.db2.gz QIZRXKUBPKYFSB-XMMPIXPASA-N 2 2 424.564 3.773 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000522724760 1011178674 /nfs/dbraw/zinc/17/86/74/1011178674.db2.gz LIDNIHFIPNZGOC-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCCC2)cc1 ZINC000522741856 1011188588 /nfs/dbraw/zinc/18/85/88/1011188588.db2.gz NRNMUWPZTLCABB-QHCPKHFHSA-N 2 2 404.514 3.838 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753041 1011195304 /nfs/dbraw/zinc/19/53/04/1011195304.db2.gz ZVUWFDOOPPMJGD-AYBZRNKSSA-N 2 2 423.483 3.673 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753041 1011195307 /nfs/dbraw/zinc/19/53/07/1011195307.db2.gz ZVUWFDOOPPMJGD-AYBZRNKSSA-N 2 2 423.483 3.673 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587269 1011242621 /nfs/dbraw/zinc/24/26/21/1011242621.db2.gz DKLXMPYHERXSIR-HSZRJFAPSA-N 2 2 402.542 3.916 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587269 1011242634 /nfs/dbraw/zinc/24/26/34/1011242634.db2.gz DKLXMPYHERXSIR-HSZRJFAPSA-N 2 2 402.542 3.916 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000540638717 1011287385 /nfs/dbraw/zinc/28/73/85/1011287385.db2.gz QQEXTEISSGGSMB-NQIIRXRSSA-N 2 2 411.550 3.535 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1[C@@H](C)C1CC1 ZINC000540806192 1011467728 /nfs/dbraw/zinc/46/77/28/1011467728.db2.gz NRFHQBICSNGWQR-CDNPAEQRSA-N 2 2 415.626 3.572 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1[C@@H](C)C1CC1 ZINC000540806192 1011467736 /nfs/dbraw/zinc/46/77/36/1011467736.db2.gz NRFHQBICSNGWQR-CDNPAEQRSA-N 2 2 415.626 3.572 20 0 HHADLP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536368826 1011578481 /nfs/dbraw/zinc/57/84/81/1011578481.db2.gz GSXVQEXTJLRGEY-JOCHJYFZSA-N 2 2 408.546 3.720 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372526 1011582666 /nfs/dbraw/zinc/58/26/66/1011582666.db2.gz VYWVYKITKFRCAR-HNNXBMFYSA-N 2 2 404.917 3.798 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccccn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380279 1011588546 /nfs/dbraw/zinc/58/85/46/1011588546.db2.gz ZOHHETMJZZMFDT-FGZHOGPDSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccccn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380279 1011588557 /nfs/dbraw/zinc/58/85/57/1011588557.db2.gz ZOHHETMJZZMFDT-FGZHOGPDSA-N 2 2 412.965 3.825 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536450535 1011668135 /nfs/dbraw/zinc/66/81/35/1011668135.db2.gz RILTVJAFBMAITP-RTWAWAEBSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536450535 1011668145 /nfs/dbraw/zinc/66/81/45/1011668145.db2.gz RILTVJAFBMAITP-RTWAWAEBSA-N 2 2 402.583 3.805 20 0 HHADLP Cc1cccc(C2=CCN(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CC2)c1 ZINC000536582324 1011745545 /nfs/dbraw/zinc/74/55/45/1011745545.db2.gz HEHDZKLZQSIQPA-UHFFFAOYSA-N 2 2 410.606 3.744 20 0 HHADLP CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662685 1011811865 /nfs/dbraw/zinc/81/18/65/1011811865.db2.gz RIJSTKJJGUVYIB-UHFFFAOYSA-N 2 2 419.529 3.939 20 0 HHADLP CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000536662685 1011811877 /nfs/dbraw/zinc/81/18/77/1011811877.db2.gz RIJSTKJJGUVYIB-UHFFFAOYSA-N 2 2 419.529 3.939 20 0 HHADLP CC[N@H+](Cc1cnc(N(C)C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536673054 1011831451 /nfs/dbraw/zinc/83/14/51/1011831451.db2.gz MRLVAIRGJJDPQW-UHFFFAOYSA-N 2 2 402.612 3.922 20 0 HHADLP CC[N@@H+](Cc1cnc(N(C)C)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536673054 1011831466 /nfs/dbraw/zinc/83/14/66/1011831466.db2.gz MRLVAIRGJJDPQW-UHFFFAOYSA-N 2 2 402.612 3.922 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523365785 1011844976 /nfs/dbraw/zinc/84/49/76/1011844976.db2.gz MPQBCIUWBHPXCV-IBGZPJMESA-N 2 2 413.591 3.765 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523365785 1011844992 /nfs/dbraw/zinc/84/49/92/1011844992.db2.gz MPQBCIUWBHPXCV-IBGZPJMESA-N 2 2 413.591 3.765 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c1 ZINC000523436584 1011926894 /nfs/dbraw/zinc/92/68/94/1011926894.db2.gz VZBLNJYRUAIWBQ-NRFANRHFSA-N 2 2 416.610 3.740 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251976 1011934556 /nfs/dbraw/zinc/93/45/56/1011934556.db2.gz OFOUYGHJAKIWJG-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251976 1011934566 /nfs/dbraw/zinc/93/45/66/1011934566.db2.gz OFOUYGHJAKIWJG-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066523 /nfs/dbraw/zinc/06/65/23/1012066523.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047563 1012066533 /nfs/dbraw/zinc/06/65/33/1012066533.db2.gz QTRMYLSACQRTPX-ISJGIBHGSA-N 3 2 411.634 3.912 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536860998 1012096085 /nfs/dbraw/zinc/09/60/85/1012096085.db2.gz BJIJKCTZLZNFHG-SFHVURJKSA-N 2 2 423.948 3.525 20 0 HHADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)c1 ZINC000536872035 1012111684 /nfs/dbraw/zinc/11/16/84/1012111684.db2.gz WRASTAMQQPHRSU-WOJBJXKFSA-N 2 2 415.969 3.676 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876432 1012119060 /nfs/dbraw/zinc/11/90/60/1012119060.db2.gz MOZADSXNZBQWEY-NTKDMRAZSA-N 2 2 418.541 3.605 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876432 1012119066 /nfs/dbraw/zinc/11/90/66/1012119066.db2.gz MOZADSXNZBQWEY-NTKDMRAZSA-N 2 2 418.541 3.605 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876433 1012119646 /nfs/dbraw/zinc/11/96/46/1012119646.db2.gz MOZADSXNZBQWEY-YADARESESA-N 2 2 418.541 3.605 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876433 1012119657 /nfs/dbraw/zinc/11/96/57/1012119657.db2.gz MOZADSXNZBQWEY-YADARESESA-N 2 2 418.541 3.605 20 0 HHADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000541422359 1012168387 /nfs/dbraw/zinc/16/83/87/1012168387.db2.gz FPVSFJDTKOLZJU-SFHVURJKSA-N 2 2 423.561 3.632 20 0 HHADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536933031 1012222869 /nfs/dbraw/zinc/22/28/69/1012222869.db2.gz GVMMRBABJVUQNP-IRXDYDNUSA-N 2 2 419.591 3.802 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944150 1012243325 /nfs/dbraw/zinc/24/33/25/1012243325.db2.gz KWWIICFQSZCHPA-NDXORKPFSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944150 1012243345 /nfs/dbraw/zinc/24/33/45/1012243345.db2.gz KWWIICFQSZCHPA-NDXORKPFSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944150 1012243360 /nfs/dbraw/zinc/24/33/60/1012243360.db2.gz KWWIICFQSZCHPA-NDXORKPFSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944150 1012243378 /nfs/dbraw/zinc/24/33/78/1012243378.db2.gz KWWIICFQSZCHPA-NDXORKPFSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962887 1012255994 /nfs/dbraw/zinc/25/59/94/1012255994.db2.gz HYQSANJVIRZKPD-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962887 1012256009 /nfs/dbraw/zinc/25/60/09/1012256009.db2.gz HYQSANJVIRZKPD-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962887 1012256026 /nfs/dbraw/zinc/25/60/26/1012256026.db2.gz HYQSANJVIRZKPD-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536962887 1012256046 /nfs/dbraw/zinc/25/60/46/1012256046.db2.gz HYQSANJVIRZKPD-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000552333322 1012342771 /nfs/dbraw/zinc/34/27/71/1012342771.db2.gz BFSYFWSHPYWWBV-GKBKNJALSA-N 2 2 421.585 4.000 20 0 HHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000552333322 1012342788 /nfs/dbraw/zinc/34/27/88/1012342788.db2.gz BFSYFWSHPYWWBV-GKBKNJALSA-N 2 2 421.585 4.000 20 0 HHADLP CN(C)C(=O)N1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000537116129 1012492672 /nfs/dbraw/zinc/49/26/72/1012492672.db2.gz KEWKRNSETSEPOE-UHFFFAOYSA-N 2 2 417.557 3.834 20 0 HHADLP c1cn2c(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c(C3CC3)nc2s1 ZINC000537229636 1012662548 /nfs/dbraw/zinc/66/25/48/1012662548.db2.gz QFKAXFMCAWYSTN-UHFFFAOYSA-N 2 2 423.630 3.961 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000523940374 1012675091 /nfs/dbraw/zinc/67/50/91/1012675091.db2.gz JHWXSYUBCAWBQE-UXHICEINSA-N 2 2 418.969 3.980 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552681881 1012691530 /nfs/dbraw/zinc/69/15/30/1012691530.db2.gz REEDNJKQEZCOPO-XMMPIXPASA-N 2 2 424.495 3.748 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552681881 1012691541 /nfs/dbraw/zinc/69/15/41/1012691541.db2.gz REEDNJKQEZCOPO-XMMPIXPASA-N 2 2 424.495 3.748 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000537262168 1012712368 /nfs/dbraw/zinc/71/23/68/1012712368.db2.gz DFIAWHUNLAJMEQ-HSZRJFAPSA-N 2 2 404.514 3.507 20 0 HHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000552878016 1012885750 /nfs/dbraw/zinc/88/57/50/1012885750.db2.gz ATCIKBNMONBCPH-OAQYLSRUSA-N 2 2 403.530 3.631 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1)C(C)C ZINC000524120983 1012898614 /nfs/dbraw/zinc/89/86/14/1012898614.db2.gz ASKCKIUTAMVLOH-UHFFFAOYSA-N 2 2 409.574 3.884 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1)C(C)C ZINC000524120983 1012898632 /nfs/dbraw/zinc/89/86/32/1012898632.db2.gz ASKCKIUTAMVLOH-UHFFFAOYSA-N 2 2 409.574 3.884 20 0 HHADLP CCN1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542064676 1012985401 /nfs/dbraw/zinc/98/54/01/1012985401.db2.gz VVMHYTMFBWIDRK-KNQAVFIVSA-N 2 2 404.480 3.893 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684463 1071802564 /nfs/dbraw/zinc/80/25/64/1071802564.db2.gz QMEQEOAHTDNJOX-VWNXMTODSA-N 2 2 418.541 3.501 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684463 1071802575 /nfs/dbraw/zinc/80/25/75/1071802575.db2.gz QMEQEOAHTDNJOX-VWNXMTODSA-N 2 2 418.541 3.501 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684984 1071809877 /nfs/dbraw/zinc/80/98/77/1071809877.db2.gz ZOSQQGXZKUQDBP-DQEYMECFSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684984 1071809891 /nfs/dbraw/zinc/80/98/91/1071809891.db2.gz ZOSQQGXZKUQDBP-DQEYMECFSA-N 2 2 416.569 3.860 20 0 HHADLP C[NH+]1CCN(c2ccc(-c3noc([C@](C)([NH3+])c4cccc5ccccc54)n3)cc2)CC1 ZINC001212042277 1071926114 /nfs/dbraw/zinc/92/61/14/1071926114.db2.gz WPKZSXPUSYBGEI-RUZDIDTESA-N 2 2 413.525 3.864 20 0 HHADLP C[C@@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001687424125 1071969446 /nfs/dbraw/zinc/96/94/46/1071969446.db2.gz NWTCSOBPMLLACD-XUZZJYLKSA-N 2 2 417.557 3.788 20 0 HHADLP C[C@@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001687424125 1071969447 /nfs/dbraw/zinc/96/94/47/1071969447.db2.gz NWTCSOBPMLLACD-XUZZJYLKSA-N 2 2 417.557 3.788 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586857738 1072480656 /nfs/dbraw/zinc/48/06/56/1072480656.db2.gz WPNZLZUWEGLSRP-NRFANRHFSA-N 2 2 403.530 3.584 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586857738 1072480661 /nfs/dbraw/zinc/48/06/61/1072480661.db2.gz WPNZLZUWEGLSRP-NRFANRHFSA-N 2 2 403.530 3.584 20 0 HHADLP COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001168317165 1072495979 /nfs/dbraw/zinc/49/59/79/1072495979.db2.gz KBORMGRXDGANTK-UHFFFAOYSA-N 2 2 421.607 3.678 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705062 1072618627 /nfs/dbraw/zinc/61/86/27/1072618627.db2.gz CHMOTNPYRQSHPV-RLLQIKCJSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705062 1072618632 /nfs/dbraw/zinc/61/86/32/1072618632.db2.gz CHMOTNPYRQSHPV-RLLQIKCJSA-N 2 2 420.395 3.529 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675775 1072752711 /nfs/dbraw/zinc/75/27/11/1072752711.db2.gz HDTARIKTEMAXEO-RXVVDRJESA-N 2 2 402.583 3.529 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675775 1072752716 /nfs/dbraw/zinc/75/27/16/1072752716.db2.gz HDTARIKTEMAXEO-RXVVDRJESA-N 2 2 402.583 3.529 20 0 HHADLP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCc4c[nH+]cn4C)cc3)CC2)c1 ZINC000555430382 1073458049 /nfs/dbraw/zinc/45/80/49/1073458049.db2.gz YVNDPQFRTKFKFQ-UHFFFAOYSA-N 2 2 417.557 3.622 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000590073793 1073512639 /nfs/dbraw/zinc/51/26/39/1073512639.db2.gz NSHMVUHGIMMIJG-XMMPIXPASA-N 2 2 404.558 3.799 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000590073793 1073512651 /nfs/dbraw/zinc/51/26/51/1073512651.db2.gz NSHMVUHGIMMIJG-XMMPIXPASA-N 2 2 404.558 3.799 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501247 1073565172 /nfs/dbraw/zinc/56/51/72/1073565172.db2.gz JDGIXDAHEXLJNM-LZNRXBQRSA-N 2 2 410.537 3.900 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501247 1073565180 /nfs/dbraw/zinc/56/51/80/1073565180.db2.gz JDGIXDAHEXLJNM-LZNRXBQRSA-N 2 2 410.537 3.900 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590150564 1073592518 /nfs/dbraw/zinc/59/25/18/1073592518.db2.gz BHVNVTPDEJEPGM-VQIMIIECSA-N 2 2 401.942 3.789 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597665 1073665562 /nfs/dbraw/zinc/66/55/62/1073665562.db2.gz LLXWWGMASXSLQN-DQEYMECFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597665 1073665567 /nfs/dbraw/zinc/66/55/67/1073665567.db2.gz LLXWWGMASXSLQN-DQEYMECFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597665 1073665570 /nfs/dbraw/zinc/66/55/70/1073665570.db2.gz LLXWWGMASXSLQN-DQEYMECFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597665 1073665576 /nfs/dbraw/zinc/66/55/76/1073665576.db2.gz LLXWWGMASXSLQN-DQEYMECFSA-N 2 2 409.549 3.791 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591522149 1074361926 /nfs/dbraw/zinc/36/19/26/1074361926.db2.gz SLZUZTAODRPLMN-HTAPYJJXSA-N 2 2 414.525 3.643 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000591542046 1074377408 /nfs/dbraw/zinc/37/74/08/1074377408.db2.gz SOARCOJYOCVDSS-ZDUSSCGKSA-N 2 2 419.372 3.861 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000591542046 1074377414 /nfs/dbraw/zinc/37/74/14/1074377414.db2.gz SOARCOJYOCVDSS-ZDUSSCGKSA-N 2 2 419.372 3.861 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000591542045 1074377494 /nfs/dbraw/zinc/37/74/94/1074377494.db2.gz SOARCOJYOCVDSS-CYBMUJFWSA-N 2 2 419.372 3.861 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000591542045 1074377501 /nfs/dbraw/zinc/37/75/01/1074377501.db2.gz SOARCOJYOCVDSS-CYBMUJFWSA-N 2 2 419.372 3.861 20 0 HHADLP CC1(C)CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000591556672 1074405174 /nfs/dbraw/zinc/40/51/74/1074405174.db2.gz HMPKNQYNQINYEQ-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP CC1(C)CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000591556672 1074405181 /nfs/dbraw/zinc/40/51/81/1074405181.db2.gz HMPKNQYNQINYEQ-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592486908 1074768279 /nfs/dbraw/zinc/76/82/79/1074768279.db2.gz FMAGODBLWDOXJK-UZLBHIALSA-N 2 2 422.976 3.932 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592486908 1074768285 /nfs/dbraw/zinc/76/82/85/1074768285.db2.gz FMAGODBLWDOXJK-UZLBHIALSA-N 2 2 422.976 3.932 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000592559495 1074789469 /nfs/dbraw/zinc/78/94/69/1074789469.db2.gz MOKKXSGXEKWOOD-HXUWFJFHSA-N 2 2 415.969 3.795 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000761125530 1075505948 /nfs/dbraw/zinc/50/59/48/1075505948.db2.gz ZCMVLVKFPCFCKQ-HXUWFJFHSA-N 2 2 414.638 3.802 20 0 HHADLP CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472083 1075617777 /nfs/dbraw/zinc/61/77/77/1075617777.db2.gz CWBDLLLTVRDJKN-SFHVURJKSA-N 2 2 412.405 3.943 20 0 HHADLP CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472083 1075617779 /nfs/dbraw/zinc/61/77/79/1075617779.db2.gz CWBDLLLTVRDJKN-SFHVURJKSA-N 2 2 412.405 3.943 20 0 HHADLP CN(C(=O)CCOc1ccccc1-c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473591 1075618795 /nfs/dbraw/zinc/61/87/95/1075618795.db2.gz GWZAGGDGYWHAMT-HSZRJFAPSA-N 2 2 421.585 3.749 20 0 HHADLP CN(C(=O)CCOc1ccccc1-c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473591 1075618798 /nfs/dbraw/zinc/61/87/98/1075618798.db2.gz GWZAGGDGYWHAMT-HSZRJFAPSA-N 2 2 421.585 3.749 20 0 HHADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476358 1075619101 /nfs/dbraw/zinc/61/91/01/1075619101.db2.gz AZCQKFBWHZSNFD-UZLBHIALSA-N 2 2 411.512 3.826 20 0 HHADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476358 1075619102 /nfs/dbraw/zinc/61/91/02/1075619102.db2.gz AZCQKFBWHZSNFD-UZLBHIALSA-N 2 2 411.512 3.826 20 0 HHADLP CN(C(=O)C1(c2ccc(F)cc2)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477125 1075619700 /nfs/dbraw/zinc/61/97/00/1075619700.db2.gz CFRDPXTZUHICEH-JOCHJYFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)C1(c2ccc(F)cc2)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477125 1075619701 /nfs/dbraw/zinc/61/97/01/1075619701.db2.gz CFRDPXTZUHICEH-JOCHJYFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)Cc1coc2ccc3ccccc3c12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476945 1075620147 /nfs/dbraw/zinc/62/01/47/1075620147.db2.gz DAFFUJVQNXGNCI-OAQYLSRUSA-N 2 2 405.542 3.755 20 0 HHADLP CN(C(=O)Cc1coc2ccc3ccccc3c12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476945 1075620149 /nfs/dbraw/zinc/62/01/49/1075620149.db2.gz DAFFUJVQNXGNCI-OAQYLSRUSA-N 2 2 405.542 3.755 20 0 HHADLP Cc1ccc(-n2ncc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C(C)C)cc1 ZINC000601478155 1075620451 /nfs/dbraw/zinc/62/04/51/1075620451.db2.gz WRPRWVRMAQMSDD-QFIPXVFZSA-N 2 2 423.605 3.545 20 0 HHADLP Cc1ccc(-n2ncc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C(C)C)cc1 ZINC000601478155 1075620453 /nfs/dbraw/zinc/62/04/53/1075620453.db2.gz WRPRWVRMAQMSDD-QFIPXVFZSA-N 2 2 423.605 3.545 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204678 1075713044 /nfs/dbraw/zinc/71/30/44/1075713044.db2.gz WPNQPLRQWAQITF-NZQKXSOJSA-N 2 2 409.599 3.805 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)CC1 ZINC000602204678 1075713052 /nfs/dbraw/zinc/71/30/52/1075713052.db2.gz WPNQPLRQWAQITF-NZQKXSOJSA-N 2 2 409.599 3.805 20 0 HHADLP COc1cc2c[nH+]c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)cc2cc1OC ZINC001164650976 719315972 /nfs/dbraw/zinc/31/59/72/719315972.db2.gz GMANBIBCGPTKAG-UHFFFAOYSA-N 2 2 409.534 3.654 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164738351 720827212 /nfs/dbraw/zinc/82/72/12/720827212.db2.gz DXAYFZRLLAWALH-MQSCRBSSSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164738351 720827214 /nfs/dbraw/zinc/82/72/14/720827214.db2.gz DXAYFZRLLAWALH-MQSCRBSSSA-N 2 2 402.546 3.514 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757211 720900254 /nfs/dbraw/zinc/90/02/54/720900254.db2.gz UJYPXJCPNLGACL-DHLKQENFSA-N 2 2 422.573 3.549 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757211 720900261 /nfs/dbraw/zinc/90/02/61/720900261.db2.gz UJYPXJCPNLGACL-DHLKQENFSA-N 2 2 422.573 3.549 20 0 HHADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747982 720923585 /nfs/dbraw/zinc/92/35/85/720923585.db2.gz FAEHZHCSWUSKKO-ILBGXUMGSA-N 2 2 421.589 3.552 20 0 HHADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747982 720923589 /nfs/dbraw/zinc/92/35/89/720923589.db2.gz FAEHZHCSWUSKKO-ILBGXUMGSA-N 2 2 421.589 3.552 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164758612 720982742 /nfs/dbraw/zinc/98/27/42/720982742.db2.gz WRUOUHIPTULDOP-NZQKXSOJSA-N 2 2 409.578 3.888 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164758612 720982769 /nfs/dbraw/zinc/98/27/69/720982769.db2.gz WRUOUHIPTULDOP-NZQKXSOJSA-N 2 2 409.578 3.888 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001164780865 721366397 /nfs/dbraw/zinc/36/63/97/721366397.db2.gz IIJOIIUHNXAHTB-QHCPKHFHSA-N 2 2 413.566 3.632 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001164780865 721366398 /nfs/dbraw/zinc/36/63/98/721366398.db2.gz IIJOIIUHNXAHTB-QHCPKHFHSA-N 2 2 413.566 3.632 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1F ZINC001164971739 722154915 /nfs/dbraw/zinc/15/49/15/722154915.db2.gz FCDJYOXMBBDTJW-WMZHIEFXSA-N 2 2 422.504 3.505 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1F ZINC001164971739 722154921 /nfs/dbraw/zinc/15/49/21/722154921.db2.gz FCDJYOXMBBDTJW-WMZHIEFXSA-N 2 2 422.504 3.505 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000301259626 970837900 /nfs/dbraw/zinc/83/79/00/970837900.db2.gz RSYRXLBHFVWHKC-UXHICEINSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301259626 970837872 /nfs/dbraw/zinc/83/78/72/970837872.db2.gz RSYRXLBHFVWHKC-UXHICEINSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301259626 970837882 /nfs/dbraw/zinc/83/78/82/970837882.db2.gz RSYRXLBHFVWHKC-UXHICEINSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000301259626 970837889 /nfs/dbraw/zinc/83/78/89/970837889.db2.gz RSYRXLBHFVWHKC-UXHICEINSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302796159 971321638 /nfs/dbraw/zinc/32/16/38/971321638.db2.gz PNEKFBNVBNRJLB-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302796159 971321642 /nfs/dbraw/zinc/32/16/42/971321642.db2.gz PNEKFBNVBNRJLB-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302796159 971321649 /nfs/dbraw/zinc/32/16/49/971321649.db2.gz PNEKFBNVBNRJLB-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302796159 971321665 /nfs/dbraw/zinc/32/16/65/971321665.db2.gz PNEKFBNVBNRJLB-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000303276679 971593428 /nfs/dbraw/zinc/59/34/28/971593428.db2.gz HRMLKORHNMNDPR-HNNXBMFYSA-N 2 2 412.405 3.847 20 0 HHADLP COc1ccc(OCc2nc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000303658628 971937794 /nfs/dbraw/zinc/93/77/94/971937794.db2.gz VICMVFWFDPMRON-UHFFFAOYSA-N 2 2 410.543 3.884 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000537583756 1013122842 /nfs/dbraw/zinc/12/28/42/1013122842.db2.gz LFICIOYMNZFNTJ-OALUTQOASA-N 2 2 403.530 3.675 20 0 HHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000303776757 972021365 /nfs/dbraw/zinc/02/13/65/972021365.db2.gz RRCJHKZYFKSXAN-MRXNPFEDSA-N 2 2 411.512 3.559 20 0 HHADLP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000303795752 972033760 /nfs/dbraw/zinc/03/37/60/972033760.db2.gz RIAQMBMSBUDWRT-UHFFFAOYSA-N 2 2 424.932 3.799 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705059 1013270408 /nfs/dbraw/zinc/27/04/08/1013270408.db2.gz CHMOTNPYRQSHPV-MISYRCLQSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705059 1013270415 /nfs/dbraw/zinc/27/04/15/1013270415.db2.gz CHMOTNPYRQSHPV-MISYRCLQSA-N 2 2 420.395 3.529 20 0 HHADLP COc1cc(Br)c(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1OC ZINC000542318489 1013274732 /nfs/dbraw/zinc/27/47/32/1013274732.db2.gz TZHZADRRKXBOMV-UHFFFAOYSA-N 2 2 417.307 3.645 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000537750800 1013314136 /nfs/dbraw/zinc/31/41/36/1013314136.db2.gz AIHYVISEWKZRNK-UHFFFAOYSA-N 3 2 423.992 3.669 20 0 HHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000023626473 963865137 /nfs/dbraw/zinc/86/51/37/963865137.db2.gz LTJOVZAKAOQDHO-RTBURBONSA-N 2 2 411.546 3.536 20 0 HHADLP O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023701022 963878718 /nfs/dbraw/zinc/87/87/18/963878718.db2.gz MKPKSGYIVDZDHW-UHFFFAOYSA-N 2 2 421.585 3.517 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCSc3ccc(Cl)cc3)CC2)CC1 ZINC000050800133 964402198 /nfs/dbraw/zinc/40/21/98/964402198.db2.gz IGSUKFFWNOOQOY-UHFFFAOYSA-N 2 2 410.027 3.887 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000051758397 964689494 /nfs/dbraw/zinc/68/94/94/964689494.db2.gz CERGTDKDYIENCR-UHFFFAOYSA-N 2 2 406.574 3.634 20 0 HHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000537962539 1013541679 /nfs/dbraw/zinc/54/16/79/1013541679.db2.gz CDHDQXLNYXMOAQ-IPMKNSEASA-N 2 2 411.359 3.933 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000537964941 1013542317 /nfs/dbraw/zinc/54/23/17/1013542317.db2.gz LTZZQBNWCGUCCB-SFHVURJKSA-N 2 2 414.619 3.566 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)c2)cc[nH+]1 ZINC000542609123 1013543885 /nfs/dbraw/zinc/54/38/85/1013543885.db2.gz WLZBCPQJNJNMLK-UHFFFAOYSA-N 2 2 405.502 3.590 20 0 HHADLP CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000537978489 1013554473 /nfs/dbraw/zinc/55/44/73/1013554473.db2.gz WOUDDQIBVSSRRQ-DENIHFKCSA-N 2 2 409.578 3.585 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000053795029 965272370 /nfs/dbraw/zinc/27/23/70/965272370.db2.gz DTIQJJKKGLCRLC-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC000057273983 965380841 /nfs/dbraw/zinc/38/08/41/965380841.db2.gz PGNCCERKFUVALT-UHFFFAOYSA-N 2 2 406.574 3.672 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000054433870 965515807 /nfs/dbraw/zinc/51/58/07/965515807.db2.gz MEQJBWCTPAUHSK-SLFFLAALSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000054433870 965515815 /nfs/dbraw/zinc/51/58/15/965515815.db2.gz MEQJBWCTPAUHSK-SLFFLAALSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000054433870 965515824 /nfs/dbraw/zinc/51/58/24/965515824.db2.gz MEQJBWCTPAUHSK-SLFFLAALSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000054433870 965515830 /nfs/dbraw/zinc/51/58/30/965515830.db2.gz MEQJBWCTPAUHSK-SLFFLAALSA-N 2 2 416.610 3.928 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000058877977 965936411 /nfs/dbraw/zinc/93/64/11/965936411.db2.gz WGXLURKDZRVXOI-CTNGQTDRSA-N 2 2 401.576 3.569 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000055752538 966049245 /nfs/dbraw/zinc/04/92/45/966049245.db2.gz NLBONMVHJQQQHE-HSZRJFAPSA-N 2 2 418.541 3.897 20 0 HHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1-c1ccccc1 ZINC000060356487 966108440 /nfs/dbraw/zinc/10/84/40/966108440.db2.gz DYSCQMVNLBTCED-UHFFFAOYSA-N 2 2 414.553 3.919 20 0 HHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1-c1ccccc1 ZINC000060356487 966108446 /nfs/dbraw/zinc/10/84/46/966108446.db2.gz DYSCQMVNLBTCED-UHFFFAOYSA-N 2 2 414.553 3.919 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056261 1013632804 /nfs/dbraw/zinc/63/28/04/1013632804.db2.gz KXYAJJLHQJPPHR-KSGXDFPGSA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056261 1013632811 /nfs/dbraw/zinc/63/28/11/1013632811.db2.gz KXYAJJLHQJPPHR-KSGXDFPGSA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056261 1013632815 /nfs/dbraw/zinc/63/28/15/1013632815.db2.gz KXYAJJLHQJPPHR-KSGXDFPGSA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538056261 1013632820 /nfs/dbraw/zinc/63/28/20/1013632820.db2.gz KXYAJJLHQJPPHR-KSGXDFPGSA-N 2 2 422.976 3.929 20 0 HHADLP CC[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000060545822 966198978 /nfs/dbraw/zinc/19/89/78/966198978.db2.gz LFNFRVPZSOMDCP-NRFANRHFSA-N 2 2 410.562 3.685 20 0 HHADLP CC[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@H+]1CCc2ccccc2C1 ZINC000060545822 966198984 /nfs/dbraw/zinc/19/89/84/966198984.db2.gz LFNFRVPZSOMDCP-NRFANRHFSA-N 2 2 410.562 3.685 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789798 966554525 /nfs/dbraw/zinc/55/45/25/966554525.db2.gz SQRJWCNHKNJPSL-UHFFFAOYSA-N 2 2 421.570 3.802 20 0 HHADLP Fc1cc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cc[nH+]c1 ZINC000063176214 966767462 /nfs/dbraw/zinc/76/74/62/966767462.db2.gz RRHZCPAGENEMSN-UHFFFAOYSA-N 2 2 423.561 3.640 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C[NH+]4CCCC4)c3)cn2c1 ZINC000042753010 966843084 /nfs/dbraw/zinc/84/30/84/966843084.db2.gz PPLXAIINVLYBLF-UHFFFAOYSA-N 2 2 408.571 3.788 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC000042910052 966868220 /nfs/dbraw/zinc/86/82/20/966868220.db2.gz YUHHMVOAMXOAST-IAGOWNOFSA-N 2 2 402.583 3.727 20 0 HHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000542848608 1013707455 /nfs/dbraw/zinc/70/74/55/1013707455.db2.gz UFNCTCKZKMDPTO-OAQYLSRUSA-N 2 2 400.494 3.540 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532243 967489875 /nfs/dbraw/zinc/48/98/75/967489875.db2.gz QDAPDJCLCGZMHA-NHCUHLMSSA-N 2 2 411.594 3.531 20 0 HHADLP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1c(Cl)cccc1Cl ZINC000542907355 1013748946 /nfs/dbraw/zinc/74/89/46/1013748946.db2.gz RSMAEJQVJVOVFK-UHFFFAOYSA-N 2 2 414.421 3.657 20 0 HHADLP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1c(Cl)cccc1Cl ZINC000542907355 1013748949 /nfs/dbraw/zinc/74/89/49/1013748949.db2.gz RSMAEJQVJVOVFK-UHFFFAOYSA-N 2 2 414.421 3.657 20 0 HHADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046586798 967869504 /nfs/dbraw/zinc/86/95/04/967869504.db2.gz OXNSYJOBYYYKCO-IBGZPJMESA-N 2 2 413.562 3.577 20 0 HHADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046586798 967869521 /nfs/dbraw/zinc/86/95/21/967869521.db2.gz OXNSYJOBYYYKCO-IBGZPJMESA-N 2 2 413.562 3.577 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000047569988 968240718 /nfs/dbraw/zinc/24/07/18/968240718.db2.gz LKGBDVJWHIFCRT-PMACEKPBSA-N 2 2 414.594 3.778 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395054 968540535 /nfs/dbraw/zinc/54/05/35/968540535.db2.gz DTDZHGNVPLMZII-LJQANCHMSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000538320648 1013847569 /nfs/dbraw/zinc/84/75/69/1013847569.db2.gz MHXUZBCFZYRYAL-MONBJTKQSA-N 2 2 412.965 3.761 20 0 HHADLP COCC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000554220849 1013859678 /nfs/dbraw/zinc/85/96/78/1013859678.db2.gz FWVQUYGJTGQVLF-FGZHOGPDSA-N 2 2 409.574 3.601 20 0 HHADLP COCC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000554220849 1013859686 /nfs/dbraw/zinc/85/96/86/1013859686.db2.gz FWVQUYGJTGQVLF-FGZHOGPDSA-N 2 2 409.574 3.601 20 0 HHADLP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OCc1cccnc1 ZINC000110573590 969689981 /nfs/dbraw/zinc/68/99/81/969689981.db2.gz LLPIZSMDYOUGSH-UHFFFAOYSA-N 2 2 404.514 3.823 20 0 HHADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000216162317 970064617 /nfs/dbraw/zinc/06/46/17/970064617.db2.gz HDYSRBPBVQVERR-UHFFFAOYSA-N 2 2 421.614 3.814 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000554461338 1013957413 /nfs/dbraw/zinc/95/74/13/1013957413.db2.gz ABVMNJYWBVUJAB-ZYSHUDEJSA-N 2 2 406.958 3.964 20 0 HHADLP COc1cc(OC)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000237332094 970264917 /nfs/dbraw/zinc/26/49/17/970264917.db2.gz BPVMOIKALCHIHS-ROUUACIJSA-N 2 2 414.546 3.611 20 0 HHADLP CSc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237440934 970289276 /nfs/dbraw/zinc/28/92/76/970289276.db2.gz XHVAZLKTCZATSF-IBGZPJMESA-N 2 2 415.628 3.957 20 0 HHADLP CSc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237440934 970289285 /nfs/dbraw/zinc/28/92/85/970289285.db2.gz XHVAZLKTCZATSF-IBGZPJMESA-N 2 2 415.628 3.957 20 0 HHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237613053 970323464 /nfs/dbraw/zinc/32/34/64/970323464.db2.gz UJLUBZXTVHMJSP-CALCHBBNSA-N 2 2 404.986 3.791 20 0 HHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237613053 970323478 /nfs/dbraw/zinc/32/34/78/970323478.db2.gz UJLUBZXTVHMJSP-CALCHBBNSA-N 2 2 404.986 3.791 20 0 HHADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000303951806 972533826 /nfs/dbraw/zinc/53/38/26/972533826.db2.gz TYVFGDWGTBAHSU-MRXNPFEDSA-N 2 2 411.512 3.874 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000303961232 972545906 /nfs/dbraw/zinc/54/59/06/972545906.db2.gz NOWDAFWDTRSNJC-UHFFFAOYSA-N 2 2 419.569 3.991 20 0 HHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390701985 972827260 /nfs/dbraw/zinc/82/72/60/972827260.db2.gz UENFBVMBJUIQRB-LZBANZJXSA-N 2 2 417.594 3.703 20 0 HHADLP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390701985 972827271 /nfs/dbraw/zinc/82/72/71/972827271.db2.gz UENFBVMBJUIQRB-LZBANZJXSA-N 2 2 417.594 3.703 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959163 972873757 /nfs/dbraw/zinc/87/37/57/972873757.db2.gz CYOSFOBWZKSBRT-UZLBHIALSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959163 972873768 /nfs/dbraw/zinc/87/37/68/972873768.db2.gz CYOSFOBWZKSBRT-UZLBHIALSA-N 2 2 416.363 3.888 20 0 HHADLP CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554844293 1014071815 /nfs/dbraw/zinc/07/18/15/1014071815.db2.gz STAVNYJGRWCIIU-XMMPIXPASA-N 2 2 423.601 3.730 20 0 HHADLP CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554844293 1014071819 /nfs/dbraw/zinc/07/18/19/1014071819.db2.gz STAVNYJGRWCIIU-XMMPIXPASA-N 2 2 423.601 3.730 20 0 HHADLP CCOCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554843919 1014071938 /nfs/dbraw/zinc/07/19/38/1014071938.db2.gz STAVNYJGRWCIIU-DEOSSOPVSA-N 2 2 423.601 3.730 20 0 HHADLP CCOCc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554843919 1014071941 /nfs/dbraw/zinc/07/19/41/1014071941.db2.gz STAVNYJGRWCIIU-DEOSSOPVSA-N 2 2 423.601 3.730 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628889 973075842 /nfs/dbraw/zinc/07/58/42/973075842.db2.gz DMBVCSYLFLIVET-FPOVZHCZSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628889 973075852 /nfs/dbraw/zinc/07/58/52/973075852.db2.gz DMBVCSYLFLIVET-FPOVZHCZSA-N 2 2 413.610 3.906 20 0 HHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409774440 973251636 /nfs/dbraw/zinc/25/16/36/973251636.db2.gz PGVGVOZUFNTMKR-QGZVFWFLSA-N 2 2 411.512 3.875 20 0 HHADLP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292107 973822279 /nfs/dbraw/zinc/82/22/79/973822279.db2.gz WVFONWUHEUCMQX-VXKWHMMOSA-N 2 2 406.574 3.838 20 0 HHADLP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292107 973822301 /nfs/dbraw/zinc/82/23/01/973822301.db2.gz WVFONWUHEUCMQX-VXKWHMMOSA-N 2 2 406.574 3.838 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CCCCC4CCOCC4)C3)CC2)nc1 ZINC000410336041 973914841 /nfs/dbraw/zinc/91/48/41/973914841.db2.gz BWEOKJCOGDHHDW-HSZRJFAPSA-N 2 2 400.611 3.513 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CCCCC4CCOCC4)C3)CC2)nc1 ZINC000410336041 973914975 /nfs/dbraw/zinc/91/49/75/973914975.db2.gz BWEOKJCOGDHHDW-HSZRJFAPSA-N 2 2 400.611 3.513 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000426054022 974176061 /nfs/dbraw/zinc/17/60/61/974176061.db2.gz FFEFUXVRLUYAOF-XZOQPEGZSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000426350480 974409568 /nfs/dbraw/zinc/40/95/68/974409568.db2.gz FUXPWTRGKQTKNT-YGOYIFOWSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000426350480 974409572 /nfs/dbraw/zinc/40/95/72/974409572.db2.gz FUXPWTRGKQTKNT-YGOYIFOWSA-N 2 2 417.557 3.931 20 0 HHADLP CCn1c(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2c1cccc2F ZINC000426769914 974647284 /nfs/dbraw/zinc/64/72/84/974647284.db2.gz MWUNFNCVKQZGSP-QZTJIDSGSA-N 2 2 402.558 3.907 20 0 HHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CCC2)cc1 ZINC000427699344 975243318 /nfs/dbraw/zinc/24/33/18/975243318.db2.gz UIKRDTAYQQEPTK-RCZVLFRGSA-N 2 2 421.589 3.721 20 0 HHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000427708049 975246273 /nfs/dbraw/zinc/24/62/73/975246273.db2.gz VNVDUXBWXPRZKO-FQEVSTJZSA-N 2 2 410.587 3.564 20 0 HHADLP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222054 975544309 /nfs/dbraw/zinc/54/43/09/975544309.db2.gz SRUDDLMJHMEWBA-QZTJIDSGSA-N 2 2 410.653 3.920 20 0 HHADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222054 975544318 /nfs/dbraw/zinc/54/43/18/975544318.db2.gz SRUDDLMJHMEWBA-QZTJIDSGSA-N 2 2 410.653 3.920 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1Br ZINC000428538912 975839961 /nfs/dbraw/zinc/83/99/61/975839961.db2.gz ACIPIWVAYXMEQS-AWEZNQCLSA-N 2 2 406.349 3.637 20 0 HHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428549526 975858627 /nfs/dbraw/zinc/85/86/27/975858627.db2.gz PZXBSQRWYZWQBK-IBGZPJMESA-N 2 2 412.484 3.736 20 0 HHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428549526 975858638 /nfs/dbraw/zinc/85/86/38/975858638.db2.gz PZXBSQRWYZWQBK-IBGZPJMESA-N 2 2 412.484 3.736 20 0 HHADLP Cc1[nH+]cn(-c2ccc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)cc2)c1C ZINC000428589255 975900964 /nfs/dbraw/zinc/90/09/64/975900964.db2.gz DJMLWPOFLGEYFZ-UHFFFAOYSA-N 2 2 403.530 3.640 20 0 HHADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc2)c1C ZINC000428599316 975908501 /nfs/dbraw/zinc/90/85/01/975908501.db2.gz NDJLXEJUQPXURQ-UHFFFAOYSA-N 2 2 418.541 3.946 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000428615830 975921890 /nfs/dbraw/zinc/92/18/90/975921890.db2.gz GXLOVJSBRGCLFV-OXQOHEQNSA-N 2 2 401.580 3.505 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000428615830 975921900 /nfs/dbraw/zinc/92/19/00/975921900.db2.gz GXLOVJSBRGCLFV-OXQOHEQNSA-N 2 2 401.580 3.505 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000429042997 976328447 /nfs/dbraw/zinc/32/84/47/976328447.db2.gz RNAOCNLTLMVXCH-KNQAVFIVSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000429042997 976328461 /nfs/dbraw/zinc/32/84/61/976328461.db2.gz RNAOCNLTLMVXCH-KNQAVFIVSA-N 2 2 403.530 3.725 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000429254589 976542027 /nfs/dbraw/zinc/54/20/27/976542027.db2.gz NISVFCLTRCNIIA-UHFFFAOYSA-N 2 2 411.319 3.698 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000429254589 976542034 /nfs/dbraw/zinc/54/20/34/976542034.db2.gz NISVFCLTRCNIIA-UHFFFAOYSA-N 2 2 411.319 3.698 20 0 HHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432776 976712592 /nfs/dbraw/zinc/71/25/92/976712592.db2.gz VJESPLGMTPMLHH-DQEYMECFSA-N 2 2 419.573 3.599 20 0 HHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432776 976712600 /nfs/dbraw/zinc/71/26/00/976712600.db2.gz VJESPLGMTPMLHH-DQEYMECFSA-N 2 2 419.573 3.599 20 0 HHADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429451959 976727950 /nfs/dbraw/zinc/72/79/50/976727950.db2.gz YPZQZUDFHUDEMJ-DNQXCXABSA-N 2 2 400.538 3.654 20 0 HHADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429451959 976727954 /nfs/dbraw/zinc/72/79/54/976727954.db2.gz YPZQZUDFHUDEMJ-DNQXCXABSA-N 2 2 400.538 3.654 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540604 976804202 /nfs/dbraw/zinc/80/42/02/976804202.db2.gz UABCXWANGVADPY-QFBILLFUSA-N 2 2 408.384 3.669 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540604 976804211 /nfs/dbraw/zinc/80/42/11/976804211.db2.gz UABCXWANGVADPY-QFBILLFUSA-N 2 2 408.384 3.669 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430283159 977446220 /nfs/dbraw/zinc/44/62/20/977446220.db2.gz IPTZFRVIMKGCNO-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430283159 977446224 /nfs/dbraw/zinc/44/62/24/977446224.db2.gz IPTZFRVIMKGCNO-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000430571043 977637567 /nfs/dbraw/zinc/63/75/67/977637567.db2.gz LBJLPDOTEQWNPA-BJKOFHAPSA-N 2 2 406.574 3.554 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000430945565 977906365 /nfs/dbraw/zinc/90/63/65/977906365.db2.gz RRFUNNSWRXMVOO-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000430945565 977906371 /nfs/dbraw/zinc/90/63/71/977906371.db2.gz RRFUNNSWRXMVOO-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699896 978444395 /nfs/dbraw/zinc/44/43/95/978444395.db2.gz SROLBOOEGGQFLP-DPLHUUCSSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699896 978444396 /nfs/dbraw/zinc/44/43/96/978444396.db2.gz SROLBOOEGGQFLP-DPLHUUCSSA-N 2 2 421.589 3.523 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000431780771 978508501 /nfs/dbraw/zinc/50/85/01/978508501.db2.gz ZSGAFOFGRPSLOY-UHFFFAOYSA-N 2 2 416.569 3.641 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000431780771 978508505 /nfs/dbraw/zinc/50/85/05/978508505.db2.gz ZSGAFOFGRPSLOY-UHFFFAOYSA-N 2 2 416.569 3.641 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCCO1 ZINC000432347651 978770779 /nfs/dbraw/zinc/77/07/79/978770779.db2.gz OBEPFBXSHXXGDS-GOSISDBHSA-N 2 2 403.954 3.905 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCCO1 ZINC000432347651 978770783 /nfs/dbraw/zinc/77/07/83/978770783.db2.gz OBEPFBXSHXXGDS-GOSISDBHSA-N 2 2 403.954 3.905 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619654 979430318 /nfs/dbraw/zinc/43/03/18/979430318.db2.gz XIRGBWWMBJJXGA-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619654 979430322 /nfs/dbraw/zinc/43/03/22/979430322.db2.gz XIRGBWWMBJJXGA-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619654 979430328 /nfs/dbraw/zinc/43/03/28/979430328.db2.gz XIRGBWWMBJJXGA-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619654 979430330 /nfs/dbraw/zinc/43/03/30/979430330.db2.gz XIRGBWWMBJJXGA-SIKLNZKXSA-N 2 2 409.578 3.672 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(N5CCSCC5)[nH+]cn4)C3)C2)cc1 ZINC000433746849 979543534 /nfs/dbraw/zinc/54/35/34/979543534.db2.gz BGCRRZBCVSGEHF-HSZRJFAPSA-N 2 2 409.603 3.522 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(N5CCSCC5)[nH+]cn4)C3)C2)cc1 ZINC000433746849 979543546 /nfs/dbraw/zinc/54/35/46/979543546.db2.gz BGCRRZBCVSGEHF-HSZRJFAPSA-N 2 2 409.603 3.522 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370510 980119121 /nfs/dbraw/zinc/11/91/21/980119121.db2.gz PLEQNCWCAMTPQO-XXBNENTESA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370510 980119125 /nfs/dbraw/zinc/11/91/25/980119125.db2.gz PLEQNCWCAMTPQO-XXBNENTESA-N 2 2 421.589 3.629 20 0 HHADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000434670208 980330547 /nfs/dbraw/zinc/33/05/47/980330547.db2.gz ANJJLYMNMKPKBT-UHFFFAOYSA-N 2 2 408.590 3.683 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000434676558 980334176 /nfs/dbraw/zinc/33/41/76/980334176.db2.gz RVHSFSLLHWBFSZ-GOSISDBHSA-N 2 2 423.561 3.752 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435333656 980791986 /nfs/dbraw/zinc/79/19/86/980791986.db2.gz RWMGQDOVUWDQIV-UHFFFAOYSA-N 2 2 408.974 3.543 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435333656 980791988 /nfs/dbraw/zinc/79/19/88/980791988.db2.gz RWMGQDOVUWDQIV-UHFFFAOYSA-N 2 2 408.974 3.543 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436599884 981467431 /nfs/dbraw/zinc/46/74/31/981467431.db2.gz CQOYRQUASLQWSH-XZOQPEGZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436599884 981467434 /nfs/dbraw/zinc/46/74/34/981467434.db2.gz CQOYRQUASLQWSH-XZOQPEGZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436608486 981472276 /nfs/dbraw/zinc/47/22/76/981472276.db2.gz UQPOBHFMBWYBNL-PKTZIBPZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436608486 981472278 /nfs/dbraw/zinc/47/22/78/981472278.db2.gz UQPOBHFMBWYBNL-PKTZIBPZSA-N 2 2 409.574 3.955 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448234781 981644346 /nfs/dbraw/zinc/64/43/46/981644346.db2.gz RELSSLXBFYSIJT-APWZRJJASA-N 2 2 403.596 3.610 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448234781 981644350 /nfs/dbraw/zinc/64/43/50/981644350.db2.gz RELSSLXBFYSIJT-APWZRJJASA-N 2 2 403.596 3.610 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000437059475 981730841 /nfs/dbraw/zinc/73/08/41/981730841.db2.gz ZCVLLOLZXUUHQV-OFVILXPXSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000437059475 981730847 /nfs/dbraw/zinc/73/08/47/981730847.db2.gz ZCVLLOLZXUUHQV-OFVILXPXSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000437059478 981730899 /nfs/dbraw/zinc/73/08/99/981730899.db2.gz ZCVLLOLZXUUHQV-PXDATVDWSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000437059478 981730906 /nfs/dbraw/zinc/73/09/06/981730906.db2.gz ZCVLLOLZXUUHQV-PXDATVDWSA-N 2 2 420.601 3.816 20 0 HHADLP O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437530096 982156348 /nfs/dbraw/zinc/15/63/48/982156348.db2.gz SLUIZLBLFAWUDL-UHFFFAOYSA-N 2 2 415.525 3.838 20 0 HHADLP O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000437530096 982156351 /nfs/dbraw/zinc/15/63/51/982156351.db2.gz SLUIZLBLFAWUDL-UHFFFAOYSA-N 2 2 415.525 3.838 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000460384915 982162985 /nfs/dbraw/zinc/16/29/85/982162985.db2.gz HIYNGFYZLYNVOX-VWNXMTODSA-N 2 2 422.960 3.833 20 0 HHADLP C[NH+]1CCC(CNC(=O)Cc2ccc(-c3ccccc3)cc2)([NH+]2CCCCC2)CC1 ZINC000460492339 982282348 /nfs/dbraw/zinc/28/23/48/982282348.db2.gz IUFRKNVRNYPQQJ-UHFFFAOYSA-N 2 2 405.586 3.963 20 0 HHADLP C[NH+]1CCC(CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460494386 982284400 /nfs/dbraw/zinc/28/44/00/982284400.db2.gz UMMZFPIIEDZAGN-LJQANCHMSA-N 2 2 411.512 3.789 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437916059 982461447 /nfs/dbraw/zinc/46/14/47/982461447.db2.gz HYNSWLIDKNVXFA-IBGZPJMESA-N 2 2 421.948 3.853 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438276201 982694567 /nfs/dbraw/zinc/69/45/67/982694567.db2.gz DFWLLEHDHVGBDM-PXDATVDWSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000438276201 982694570 /nfs/dbraw/zinc/69/45/70/982694570.db2.gz DFWLLEHDHVGBDM-PXDATVDWSA-N 2 2 420.601 3.673 20 0 HHADLP CCC(CC)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000460982241 982706439 /nfs/dbraw/zinc/70/64/39/982706439.db2.gz JFAJKMKOSOQYAD-HSZRJFAPSA-N 2 2 401.595 3.791 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438633469 982952696 /nfs/dbraw/zinc/95/26/96/982952696.db2.gz GUBHDMUYGJVCGO-UHFFFAOYSA-N 2 2 406.546 3.637 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438633469 982952699 /nfs/dbraw/zinc/95/26/99/982952699.db2.gz GUBHDMUYGJVCGO-UHFFFAOYSA-N 2 2 406.546 3.637 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1)[NH+]1CCOCC1 ZINC000438670567 982989431 /nfs/dbraw/zinc/98/94/31/982989431.db2.gz WRHQPWGXKADLND-SFHVURJKSA-N 2 2 416.591 3.737 20 0 HHADLP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461468222 983130029 /nfs/dbraw/zinc/13/00/29/983130029.db2.gz GRWARRNBJXSEPG-HSZRJFAPSA-N 2 2 402.542 3.964 20 0 HHADLP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000461468222 983130041 /nfs/dbraw/zinc/13/00/41/983130041.db2.gz GRWARRNBJXSEPG-HSZRJFAPSA-N 2 2 402.542 3.964 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000439091740 983245986 /nfs/dbraw/zinc/24/59/86/983245986.db2.gz WUQPFHYMYKBPAB-HXUWFJFHSA-N 2 2 424.589 3.825 20 0 HHADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000439730444 983517678 /nfs/dbraw/zinc/51/76/78/983517678.db2.gz KCLXMPSOBBXYOS-CVDCTZTESA-N 2 2 424.614 3.513 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)cc2)CC1 ZINC000440334023 983726561 /nfs/dbraw/zinc/72/65/61/983726561.db2.gz CFJLUMOHHXTYAW-UHFFFAOYSA-N 2 2 407.587 3.632 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710305 983863534 /nfs/dbraw/zinc/86/35/34/983863534.db2.gz GLGGCTRZWZDYFO-MSOLQXFVSA-N 2 2 405.612 3.715 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710305 983863542 /nfs/dbraw/zinc/86/35/42/983863542.db2.gz GLGGCTRZWZDYFO-MSOLQXFVSA-N 2 2 405.612 3.715 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C)c1 ZINC000440881687 983950160 /nfs/dbraw/zinc/95/01/60/983950160.db2.gz VBWUAFLCLQWLSH-XZOQPEGZSA-N 2 2 423.536 3.982 20 0 HHADLP CC1(C)C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000441061421 984049798 /nfs/dbraw/zinc/04/97/98/984049798.db2.gz LDPPLPXLNNFVDX-QHCPKHFHSA-N 2 2 407.558 3.583 20 0 HHADLP CC1(C)C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000441061421 984049803 /nfs/dbraw/zinc/04/98/03/984049803.db2.gz LDPPLPXLNNFVDX-QHCPKHFHSA-N 2 2 407.558 3.583 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000441169031 984099245 /nfs/dbraw/zinc/09/92/45/984099245.db2.gz BDZXYTOFIFPYIK-MRXNPFEDSA-N 2 2 421.607 3.622 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000441257307 984142365 /nfs/dbraw/zinc/14/23/65/984142365.db2.gz OVGYQPQZFLPACN-ZRGWGRIASA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000441257307 984142369 /nfs/dbraw/zinc/14/23/69/984142369.db2.gz OVGYQPQZFLPACN-ZRGWGRIASA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257991 984142899 /nfs/dbraw/zinc/14/28/99/984142899.db2.gz PURGHAVBMFTJIF-GUDVDZBRSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257991 984142901 /nfs/dbraw/zinc/14/29/01/984142901.db2.gz PURGHAVBMFTJIF-GUDVDZBRSA-N 2 2 404.352 3.681 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000441320766 984181011 /nfs/dbraw/zinc/18/10/11/984181011.db2.gz ZPNFPHOOYPJURA-PMACEKPBSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000441382086 984221297 /nfs/dbraw/zinc/22/12/97/984221297.db2.gz IVYZJTGALSPVON-PXNSSMCTSA-N 2 2 406.486 3.587 20 0 HHADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441383528 984222361 /nfs/dbraw/zinc/22/23/61/984222361.db2.gz MHPZYWUTVMVXJQ-MBSDFSHPSA-N 2 2 419.529 3.816 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392061 984226817 /nfs/dbraw/zinc/22/68/17/984226817.db2.gz BZAWYTSNLNPZGN-FGSXEWAUSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392061 984226823 /nfs/dbraw/zinc/22/68/23/984226823.db2.gz BZAWYTSNLNPZGN-FGSXEWAUSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441392061 984226828 /nfs/dbraw/zinc/22/68/28/984226828.db2.gz BZAWYTSNLNPZGN-FGSXEWAUSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441392061 984226831 /nfs/dbraw/zinc/22/68/31/984226831.db2.gz BZAWYTSNLNPZGN-FGSXEWAUSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392063 984226971 /nfs/dbraw/zinc/22/69/71/984226971.db2.gz BZAWYTSNLNPZGN-JBYIUTFZSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392063 984226975 /nfs/dbraw/zinc/22/69/75/984226975.db2.gz BZAWYTSNLNPZGN-JBYIUTFZSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441392063 984226978 /nfs/dbraw/zinc/22/69/78/984226978.db2.gz BZAWYTSNLNPZGN-JBYIUTFZSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441392063 984226980 /nfs/dbraw/zinc/22/69/80/984226980.db2.gz BZAWYTSNLNPZGN-JBYIUTFZSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392064 984227026 /nfs/dbraw/zinc/22/70/26/984227026.db2.gz BZAWYTSNLNPZGN-KGVIQGDOSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441392064 984227033 /nfs/dbraw/zinc/22/70/33/984227033.db2.gz BZAWYTSNLNPZGN-KGVIQGDOSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441392064 984227037 /nfs/dbraw/zinc/22/70/37/984227037.db2.gz BZAWYTSNLNPZGN-KGVIQGDOSA-N 2 2 419.997 3.514 20 0 HHADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441392064 984227042 /nfs/dbraw/zinc/22/70/42/984227042.db2.gz BZAWYTSNLNPZGN-KGVIQGDOSA-N 2 2 419.997 3.514 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395952 984228967 /nfs/dbraw/zinc/22/89/67/984228967.db2.gz BCIUITXCCVUBKA-UIAACRFSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395952 984228971 /nfs/dbraw/zinc/22/89/71/984228971.db2.gz BCIUITXCCVUBKA-UIAACRFSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395952 984228976 /nfs/dbraw/zinc/22/89/76/984228976.db2.gz BCIUITXCCVUBKA-UIAACRFSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395952 984228985 /nfs/dbraw/zinc/22/89/85/984228985.db2.gz BCIUITXCCVUBKA-UIAACRFSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400466 984232126 /nfs/dbraw/zinc/23/21/26/984232126.db2.gz GLGVGGUIWJZFOD-CWFSZBLJSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400466 984232130 /nfs/dbraw/zinc/23/21/30/984232130.db2.gz GLGVGGUIWJZFOD-CWFSZBLJSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400466 984232135 /nfs/dbraw/zinc/23/21/35/984232135.db2.gz GLGVGGUIWJZFOD-CWFSZBLJSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400466 984232141 /nfs/dbraw/zinc/23/21/41/984232141.db2.gz GLGVGGUIWJZFOD-CWFSZBLJSA-N 2 2 423.479 3.639 20 0 HHADLP CC[N@H+](C[C@H](O)COc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441622321 984360981 /nfs/dbraw/zinc/36/09/81/984360981.db2.gz QKHINIIVKRCLCM-IBGZPJMESA-N 2 2 403.954 3.713 20 0 HHADLP CC[N@@H+](C[C@H](O)COc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441622321 984360990 /nfs/dbraw/zinc/36/09/90/984360990.db2.gz QKHINIIVKRCLCM-IBGZPJMESA-N 2 2 403.954 3.713 20 0 HHADLP CC[C@@H]1CCc2nc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)sc2C1 ZINC000441905676 984529731 /nfs/dbraw/zinc/52/97/31/984529731.db2.gz BEBAZDUPXNJZAC-QGZVFWFLSA-N 2 2 419.639 3.730 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243897 984765277 /nfs/dbraw/zinc/76/52/77/984765277.db2.gz RTTRDUKKXQRRNV-GMAHTHKFSA-N 2 2 409.578 3.615 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243897 984765283 /nfs/dbraw/zinc/76/52/83/984765283.db2.gz RTTRDUKKXQRRNV-GMAHTHKFSA-N 2 2 409.578 3.615 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000462006394 984986383 /nfs/dbraw/zinc/98/63/83/984986383.db2.gz JVKAYILCBUZISK-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP Cc1cc(N2CC[NH+]([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc[nH+]1 ZINC000462106649 985077040 /nfs/dbraw/zinc/07/70/40/985077040.db2.gz XZLYOBDNTOBPCB-DEOSSOPVSA-N 2 2 400.526 3.570 20 0 HHADLP CC(C)C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000468006387 985658423 /nfs/dbraw/zinc/65/84/23/985658423.db2.gz QSGWICPSHSDNOH-SIKLNZKXSA-N 2 2 411.594 3.827 20 0 HHADLP CC(C)C[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021912 985675598 /nfs/dbraw/zinc/67/55/98/985675598.db2.gz LXGPWYORPOSGFE-UNMCSNQZSA-N 2 2 409.578 3.679 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000462743327 985685297 /nfs/dbraw/zinc/68/52/97/985685297.db2.gz JXMALKOFNPHMLX-AKIFATBCSA-N 2 2 409.578 3.778 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000462743327 985685305 /nfs/dbraw/zinc/68/53/05/985685305.db2.gz JXMALKOFNPHMLX-AKIFATBCSA-N 2 2 409.578 3.778 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(Cc4ccccc4)CCCCC3)CC2)CC1 ZINC000468090633 985749378 /nfs/dbraw/zinc/74/93/78/985749378.db2.gz WGNJKPCLXLXNOH-UHFFFAOYSA-N 2 2 412.622 3.790 20 0 HHADLP O=c1[nH]c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2c1cnn2-c1ccccc1 ZINC000443604998 985783149 /nfs/dbraw/zinc/78/31/49/985783149.db2.gz PGWGIJZLSDKQKO-UHFFFAOYSA-N 2 2 420.561 3.609 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000462915823 985848034 /nfs/dbraw/zinc/84/80/34/985848034.db2.gz WTWIFWLUORGWQZ-INIZCTEOSA-N 2 2 413.381 3.603 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021080 985978859 /nfs/dbraw/zinc/97/88/59/985978859.db2.gz OERFWADXOADTLO-NFBKMPQASA-N 2 2 409.578 3.605 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021080 985978875 /nfs/dbraw/zinc/97/88/75/985978875.db2.gz OERFWADXOADTLO-NFBKMPQASA-N 2 2 409.578 3.605 20 0 HHADLP CCCc1cc(N2CCC[N@H+](Cc3nc([C@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000443899991 986097556 /nfs/dbraw/zinc/09/75/56/986097556.db2.gz UVROHMXKUPQEES-KRWDZBQOSA-N 2 2 409.534 3.990 20 0 HHADLP CCCc1cc(N2CCC[N@@H+](Cc3nc([C@H](C)OC)no3)CC2)c2ccccc2[nH+]1 ZINC000443899991 986097574 /nfs/dbraw/zinc/09/75/74/986097574.db2.gz UVROHMXKUPQEES-KRWDZBQOSA-N 2 2 409.534 3.990 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000463133847 986100049 /nfs/dbraw/zinc/10/00/49/986100049.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000463133847 986100055 /nfs/dbraw/zinc/10/00/55/986100055.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133847 986100062 /nfs/dbraw/zinc/10/00/62/986100062.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133847 986100065 /nfs/dbraw/zinc/10/00/65/986100065.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 2 2 411.590 3.949 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000463146481 986116011 /nfs/dbraw/zinc/11/60/11/986116011.db2.gz CAHWWAYOMCSROW-JXFKEZNVSA-N 2 2 404.555 3.578 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000463154864 986126234 /nfs/dbraw/zinc/12/62/34/986126234.db2.gz GETVOJBFTSYPHG-UYAOXDASSA-N 2 2 416.591 3.957 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444047995 986246746 /nfs/dbraw/zinc/24/67/46/986246746.db2.gz PNSMNECTAYRJEC-DENIHFKCSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444047995 986246759 /nfs/dbraw/zinc/24/67/59/986246759.db2.gz PNSMNECTAYRJEC-DENIHFKCSA-N 2 2 409.578 3.741 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000463284034 986251127 /nfs/dbraw/zinc/25/11/27/986251127.db2.gz GFWHSHFXZGVRBX-JTHBVZDNSA-N 2 2 400.611 3.614 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463284034 986251141 /nfs/dbraw/zinc/25/11/41/986251141.db2.gz GFWHSHFXZGVRBX-JTHBVZDNSA-N 2 2 400.611 3.614 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000444208021 986389577 /nfs/dbraw/zinc/38/95/77/986389577.db2.gz XCFGQVFBXLEXHC-JOCHJYFZSA-N 2 2 409.578 3.741 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000444345531 986527110 /nfs/dbraw/zinc/52/71/10/986527110.db2.gz RXUAPBJQNRVGBA-VGSWGCGISA-N 2 2 421.545 3.852 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000444345866 986528336 /nfs/dbraw/zinc/52/83/36/986528336.db2.gz SHBCFRRUJIQMKY-UWJYYQICSA-N 2 2 407.518 3.971 20 0 HHADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000468964801 986668033 /nfs/dbraw/zinc/66/80/33/986668033.db2.gz MRHMPPDVHIVMRY-UHFFFAOYSA-N 2 2 409.921 3.677 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599041 986786674 /nfs/dbraw/zinc/78/66/74/986786674.db2.gz SPKKMOCGBMSQTD-MRXNPFEDSA-N 2 2 409.559 3.661 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000444599041 986786684 /nfs/dbraw/zinc/78/66/84/986786684.db2.gz SPKKMOCGBMSQTD-MRXNPFEDSA-N 2 2 409.559 3.661 20 0 HHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444800283 986954902 /nfs/dbraw/zinc/95/49/02/986954902.db2.gz UNZRLZBQPCBSNA-SIKLNZKXSA-N 2 2 404.514 3.988 20 0 HHADLP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444800283 986954907 /nfs/dbraw/zinc/95/49/07/986954907.db2.gz UNZRLZBQPCBSNA-SIKLNZKXSA-N 2 2 404.514 3.988 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000469240955 986960698 /nfs/dbraw/zinc/96/06/98/986960698.db2.gz USLIDBWKIIRVOV-QHCPKHFHSA-N 2 2 408.546 3.676 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000444805976 986961409 /nfs/dbraw/zinc/96/14/09/986961409.db2.gz LIXAPRFQJDERDW-XMMPIXPASA-N 2 2 416.569 3.871 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000444805976 986961412 /nfs/dbraw/zinc/96/14/12/986961412.db2.gz LIXAPRFQJDERDW-XMMPIXPASA-N 2 2 416.569 3.871 20 0 HHADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000469257351 986976296 /nfs/dbraw/zinc/97/62/96/986976296.db2.gz XFXIWNDPFWRPDA-IBGZPJMESA-N 2 2 419.635 3.674 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469298800 987014882 /nfs/dbraw/zinc/01/48/82/987014882.db2.gz SGXNDUWTTZSKNC-HSZRJFAPSA-N 2 2 413.512 3.710 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000469424553 987112500 /nfs/dbraw/zinc/11/25/00/987112500.db2.gz PBRDXKXCHOVOHU-XMMPIXPASA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000469424553 987112509 /nfs/dbraw/zinc/11/25/09/987112509.db2.gz PBRDXKXCHOVOHU-XMMPIXPASA-N 2 2 419.573 3.887 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000469438488 987124634 /nfs/dbraw/zinc/12/46/34/987124634.db2.gz LGJTZDPHTJOIMC-QHCPKHFHSA-N 2 2 423.605 3.815 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000469438488 987124636 /nfs/dbraw/zinc/12/46/36/987124636.db2.gz LGJTZDPHTJOIMC-QHCPKHFHSA-N 2 2 423.605 3.815 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469508060 987184942 /nfs/dbraw/zinc/18/49/42/987184942.db2.gz GJYGXWVXHDBGGQ-NHCUHLMSSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469508060 987184944 /nfs/dbraw/zinc/18/49/44/987184944.db2.gz GJYGXWVXHDBGGQ-NHCUHLMSSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469508060 987184946 /nfs/dbraw/zinc/18/49/46/987184946.db2.gz GJYGXWVXHDBGGQ-NHCUHLMSSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469508060 987184949 /nfs/dbraw/zinc/18/49/49/987184949.db2.gz GJYGXWVXHDBGGQ-NHCUHLMSSA-N 2 2 417.475 3.670 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000469651745 987309538 /nfs/dbraw/zinc/30/95/38/987309538.db2.gz DLCGWRZBWJALIH-GOSISDBHSA-N 2 2 420.479 3.971 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000469651745 987309547 /nfs/dbraw/zinc/30/95/47/987309547.db2.gz DLCGWRZBWJALIH-GOSISDBHSA-N 2 2 420.479 3.971 20 0 HHADLP CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469682985 987340486 /nfs/dbraw/zinc/34/04/86/987340486.db2.gz WTVNIWIQVIYKPV-OALUTQOASA-N 2 2 401.599 3.599 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469759224 987412831 /nfs/dbraw/zinc/41/28/31/987412831.db2.gz XDMZEEWXCZUTLS-ZHRRBRCNSA-N 2 2 410.468 3.992 20 0 HHADLP Cc1cccc(S(=O)(=O)CCC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000469765813 987418579 /nfs/dbraw/zinc/41/85/79/987418579.db2.gz VHRAMIGGUACJRY-NHCUHLMSSA-N 2 2 414.615 3.905 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000469768320 987420638 /nfs/dbraw/zinc/42/06/38/987420638.db2.gz IVBAFTISFIKORU-MDZRGWNJSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000469768320 987420643 /nfs/dbraw/zinc/42/06/43/987420643.db2.gz IVBAFTISFIKORU-MDZRGWNJSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)[C@H](C)C1 ZINC000469794572 987438213 /nfs/dbraw/zinc/43/82/13/987438213.db2.gz SMYAHZVYULNAPV-AABGKKOBSA-N 2 2 419.635 3.631 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)[C@H](C)C1 ZINC000469794572 987438215 /nfs/dbraw/zinc/43/82/15/987438215.db2.gz SMYAHZVYULNAPV-AABGKKOBSA-N 2 2 419.635 3.631 20 0 HHADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000469839987 987474767 /nfs/dbraw/zinc/47/47/67/987474767.db2.gz CNWAKOTXDMPCBV-UWJYYQICSA-N 2 2 415.969 3.794 20 0 HHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC000469982622 987599689 /nfs/dbraw/zinc/59/96/89/987599689.db2.gz OSIJJRVJTBLJMC-LJQANCHMSA-N 2 2 410.562 3.505 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464083807 988204551 /nfs/dbraw/zinc/20/45/51/988204551.db2.gz WNMUHBSEMUUJQQ-VXKWHMMOSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464083807 988204559 /nfs/dbraw/zinc/20/45/59/988204559.db2.gz WNMUHBSEMUUJQQ-VXKWHMMOSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464318578 988450930 /nfs/dbraw/zinc/45/09/30/988450930.db2.gz MLZWWRUUWVZFEG-ZEQRLZLVSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464318578 988450940 /nfs/dbraw/zinc/45/09/40/988450940.db2.gz MLZWWRUUWVZFEG-ZEQRLZLVSA-N 2 2 421.589 3.553 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000470598485 988615095 /nfs/dbraw/zinc/61/50/95/988615095.db2.gz JTJLOCCFIADVBX-LJQANCHMSA-N 2 2 402.420 3.924 20 0 HHADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(F)cc1F ZINC000470635161 988649215 /nfs/dbraw/zinc/64/92/15/988649215.db2.gz ILGWADOIVDAWMK-WOJBJXKFSA-N 2 2 422.520 3.591 20 0 HHADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(F)cc1F ZINC000470635161 988649219 /nfs/dbraw/zinc/64/92/19/988649219.db2.gz ILGWADOIVDAWMK-WOJBJXKFSA-N 2 2 422.520 3.591 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470735298 988769545 /nfs/dbraw/zinc/76/95/45/988769545.db2.gz BFGPIEXMDVRRTE-FXAWDEMLSA-N 2 2 422.976 3.743 20 0 HHADLP CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470743201 988782535 /nfs/dbraw/zinc/78/25/35/988782535.db2.gz KTOTURKXBHPLFA-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470743201 988782544 /nfs/dbraw/zinc/78/25/44/988782544.db2.gz KTOTURKXBHPLFA-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681833 988887022 /nfs/dbraw/zinc/88/70/22/988887022.db2.gz BMMMBDBKQNCFRE-APWZRJJASA-N 2 2 408.384 3.527 20 0 HHADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681833 988887048 /nfs/dbraw/zinc/88/70/48/988887048.db2.gz BMMMBDBKQNCFRE-APWZRJJASA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681833 988887065 /nfs/dbraw/zinc/88/70/65/988887065.db2.gz BMMMBDBKQNCFRE-APWZRJJASA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681833 988887088 /nfs/dbraw/zinc/88/70/88/988887088.db2.gz BMMMBDBKQNCFRE-APWZRJJASA-N 2 2 408.384 3.527 20 0 HHADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681834 988887288 /nfs/dbraw/zinc/88/72/88/988887288.db2.gz BMMMBDBKQNCFRE-LPHOPBHVSA-N 2 2 408.384 3.527 20 0 HHADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681834 988887307 /nfs/dbraw/zinc/88/73/07/988887307.db2.gz BMMMBDBKQNCFRE-LPHOPBHVSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681834 988887325 /nfs/dbraw/zinc/88/73/25/988887325.db2.gz BMMMBDBKQNCFRE-LPHOPBHVSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681834 988887340 /nfs/dbraw/zinc/88/73/40/988887340.db2.gz BMMMBDBKQNCFRE-LPHOPBHVSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000464777815 989004119 /nfs/dbraw/zinc/00/41/19/989004119.db2.gz PJJOSMOQNMKOER-HXUWFJFHSA-N 2 2 407.558 3.910 20 0 HHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000464777815 989004130 /nfs/dbraw/zinc/00/41/30/989004130.db2.gz PJJOSMOQNMKOER-HXUWFJFHSA-N 2 2 407.558 3.910 20 0 HHADLP CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806184 989038433 /nfs/dbraw/zinc/03/84/33/989038433.db2.gz CUYMVRRMVARTEM-UHFFFAOYSA-N 2 2 421.501 3.599 20 0 HHADLP CC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806184 989038445 /nfs/dbraw/zinc/03/84/45/989038445.db2.gz CUYMVRRMVARTEM-UHFFFAOYSA-N 2 2 421.501 3.599 20 0 HHADLP CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807191 989039303 /nfs/dbraw/zinc/03/93/03/989039303.db2.gz SNXJUHCGPFRGAZ-UHFFFAOYSA-N 2 2 419.566 3.623 20 0 HHADLP CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807191 989039314 /nfs/dbraw/zinc/03/93/14/989039314.db2.gz SNXJUHCGPFRGAZ-UHFFFAOYSA-N 2 2 419.566 3.623 20 0 HHADLP CC[N@@H+](CC(=O)N1CCCc2cc(OC)ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808260 989041640 /nfs/dbraw/zinc/04/16/40/989041640.db2.gz KMDSZIXWUSIUPY-UHFFFAOYSA-N 2 2 422.573 3.608 20 0 HHADLP CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808260 989041655 /nfs/dbraw/zinc/04/16/55/989041655.db2.gz KMDSZIXWUSIUPY-UHFFFAOYSA-N 2 2 422.573 3.608 20 0 HHADLP CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809276 989043195 /nfs/dbraw/zinc/04/31/95/989043195.db2.gz ZRFDZFCIMWIARS-UHFFFAOYSA-N 2 2 423.586 3.893 20 0 HHADLP CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809276 989043208 /nfs/dbraw/zinc/04/32/08/989043208.db2.gz ZRFDZFCIMWIARS-UHFFFAOYSA-N 2 2 423.586 3.893 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841777 989087755 /nfs/dbraw/zinc/08/77/55/989087755.db2.gz XWVIRJIDOJDFLQ-DEOSSOPVSA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841777 989087762 /nfs/dbraw/zinc/08/77/62/989087762.db2.gz XWVIRJIDOJDFLQ-DEOSSOPVSA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841777 989087770 /nfs/dbraw/zinc/08/77/70/989087770.db2.gz XWVIRJIDOJDFLQ-DEOSSOPVSA-N 2 2 405.586 3.940 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464841777 989087778 /nfs/dbraw/zinc/08/77/78/989087778.db2.gz XWVIRJIDOJDFLQ-DEOSSOPVSA-N 2 2 405.586 3.940 20 0 HHADLP CCc1ccc(-c2ccc(C[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000465016096 989333634 /nfs/dbraw/zinc/33/36/34/989333634.db2.gz ZGCSZXLSYYEFJT-UHFFFAOYSA-N 2 2 418.541 3.733 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465413398 989760373 /nfs/dbraw/zinc/76/03/73/989760373.db2.gz UGFVTCHTMXJJEY-JOCHJYFZSA-N 2 2 404.574 3.724 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465413398 989760374 /nfs/dbraw/zinc/76/03/74/989760374.db2.gz UGFVTCHTMXJJEY-JOCHJYFZSA-N 2 2 404.574 3.724 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000465419232 989764618 /nfs/dbraw/zinc/76/46/18/989764618.db2.gz FGLBEXHGUBWRMM-QHCPKHFHSA-N 2 2 423.605 3.502 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000465459766 989799681 /nfs/dbraw/zinc/79/96/81/989799681.db2.gz QOBOKXMVWDALJP-UHFFFAOYSA-N 2 2 413.393 3.743 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC000471632100 989840326 /nfs/dbraw/zinc/84/03/26/989840326.db2.gz AKNKPKWEMRDPLX-OAQYLSRUSA-N 2 2 400.954 3.723 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)c2)CC1 ZINC000471666403 989870686 /nfs/dbraw/zinc/87/06/86/989870686.db2.gz WSGBSEWJBZGBCZ-QHCPKHFHSA-N 2 2 424.614 3.557 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccsc1 ZINC000465532192 989892164 /nfs/dbraw/zinc/89/21/64/989892164.db2.gz TXRBNSHJLDNNAQ-HXUWFJFHSA-N 2 2 415.607 3.803 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554329 989916920 /nfs/dbraw/zinc/91/69/20/989916920.db2.gz XIZZFQIGXBHEEK-FXAWDEMLSA-N 2 2 424.992 3.989 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554329 989916926 /nfs/dbraw/zinc/91/69/26/989916926.db2.gz XIZZFQIGXBHEEK-FXAWDEMLSA-N 2 2 424.992 3.989 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000465685302 990069588 /nfs/dbraw/zinc/06/95/88/990069588.db2.gz KCAFBBGSRQTUSY-UHFFFAOYSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465748267 990134334 /nfs/dbraw/zinc/13/43/34/990134334.db2.gz KEIHOEIKKLVRNI-JOCHJYFZSA-N 2 2 417.557 3.926 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465748267 990134340 /nfs/dbraw/zinc/13/43/40/990134340.db2.gz KEIHOEIKKLVRNI-JOCHJYFZSA-N 2 2 417.557 3.926 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465763029 990148686 /nfs/dbraw/zinc/14/86/86/990148686.db2.gz XQJUDWKHMCSBAU-XZOQPEGZSA-N 2 2 412.622 3.962 20 0 HHADLP Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465806792 990189408 /nfs/dbraw/zinc/18/94/08/990189408.db2.gz HBVWGIPSVLSCQS-LAUBAEHRSA-N 2 2 402.583 3.629 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC(C)(C)CCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465845836 990230079 /nfs/dbraw/zinc/23/00/79/990230079.db2.gz USGABBWEYWCLQW-UHFFFAOYSA-N 2 2 400.611 3.647 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC2(c3ccc(Cl)cc3)CC2)([NH+]2CCCCC2)CC1 ZINC000465847383 990230994 /nfs/dbraw/zinc/23/09/94/990230994.db2.gz NXDMDHGDWGCZLM-UHFFFAOYSA-N 2 2 419.013 3.621 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000465872818 990987562 /nfs/dbraw/zinc/98/75/62/990987562.db2.gz HTFLBTXGJOOCGP-LJQANCHMSA-N 2 2 421.948 3.728 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000465872818 990987576 /nfs/dbraw/zinc/98/75/76/990987576.db2.gz HTFLBTXGJOOCGP-LJQANCHMSA-N 2 2 421.948 3.728 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466015994 991181623 /nfs/dbraw/zinc/18/16/23/991181623.db2.gz KGNBONPFNWDKQQ-QFIPXVFZSA-N 2 2 403.530 3.536 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466015994 991181628 /nfs/dbraw/zinc/18/16/28/991181628.db2.gz KGNBONPFNWDKQQ-QFIPXVFZSA-N 2 2 403.530 3.536 20 0 HHADLP C[C@@H]1C[C@H]1[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136296 991316979 /nfs/dbraw/zinc/31/69/79/991316979.db2.gz XWDWZXQMOQXFBD-HBGVWJBISA-N 2 2 407.002 3.705 20 0 HHADLP C[C@@H]1C[C@H]1[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136296 991316987 /nfs/dbraw/zinc/31/69/87/991316987.db2.gz XWDWZXQMOQXFBD-HBGVWJBISA-N 2 2 407.002 3.705 20 0 HHADLP CCCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000466148175 991331805 /nfs/dbraw/zinc/33/18/05/991331805.db2.gz SCDZDWMIYMSBQI-UHFFFAOYSA-N 2 2 402.583 3.856 20 0 HHADLP CN(CCCCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466150024 991334189 /nfs/dbraw/zinc/33/41/89/991334189.db2.gz YCSMAFXLDLZUQZ-UHFFFAOYSA-N 2 2 400.611 3.601 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466881286 992202900 /nfs/dbraw/zinc/20/29/00/992202900.db2.gz QHENKBLWYRZCTJ-MOPGFXCFSA-N 2 2 403.571 3.661 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466881286 992202909 /nfs/dbraw/zinc/20/29/09/992202909.db2.gz QHENKBLWYRZCTJ-MOPGFXCFSA-N 2 2 403.571 3.661 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466950682 992260462 /nfs/dbraw/zinc/26/04/62/992260462.db2.gz JNLJXHBBOUMDHE-PKTZIBPZSA-N 2 2 416.610 3.676 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466950682 992260468 /nfs/dbraw/zinc/26/04/68/992260468.db2.gz JNLJXHBBOUMDHE-PKTZIBPZSA-N 2 2 416.610 3.676 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466950680 992260937 /nfs/dbraw/zinc/26/09/37/992260937.db2.gz JNLJXHBBOUMDHE-DHIUTWEWSA-N 2 2 416.610 3.676 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466950680 992260944 /nfs/dbraw/zinc/26/09/44/992260944.db2.gz JNLJXHBBOUMDHE-DHIUTWEWSA-N 2 2 416.610 3.676 20 0 HHADLP O=C(C[NH2+]C1(Cc2ccccc2)CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467182656 992504023 /nfs/dbraw/zinc/50/40/23/992504023.db2.gz RPICCXWEYZJGBQ-UHFFFAOYSA-N 2 2 421.585 3.993 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202874 992527831 /nfs/dbraw/zinc/52/78/31/992527831.db2.gz SJTVNEBCUSTXNI-XZOQPEGZSA-N 2 2 412.622 3.798 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202874 992527841 /nfs/dbraw/zinc/52/78/41/992527841.db2.gz SJTVNEBCUSTXNI-XZOQPEGZSA-N 2 2 412.622 3.798 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000467205803 992530962 /nfs/dbraw/zinc/53/09/62/992530962.db2.gz IBSKZWGVFWYPRD-GOSISDBHSA-N 2 2 407.986 3.861 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276752 992598614 /nfs/dbraw/zinc/59/86/14/992598614.db2.gz BNYUSUICXSVCGB-GOEBONIOSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276752 992598625 /nfs/dbraw/zinc/59/86/25/992598625.db2.gz BNYUSUICXSVCGB-GOEBONIOSA-N 2 2 424.376 3.816 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000467841720 993073662 /nfs/dbraw/zinc/07/36/62/993073662.db2.gz NNEOVRGIGBTXMS-IBGZPJMESA-N 2 2 415.603 3.561 20 0 HHADLP CC[N@H+](CC(=O)N1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472257874 993283307 /nfs/dbraw/zinc/28/33/07/993283307.db2.gz NGLFGLXDYBOWGK-LJQANCHMSA-N 2 2 401.599 3.600 20 0 HHADLP CC[N@@H+](CC(=O)N1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472257874 993283311 /nfs/dbraw/zinc/28/33/11/993283311.db2.gz NGLFGLXDYBOWGK-LJQANCHMSA-N 2 2 401.599 3.600 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281906 993300406 /nfs/dbraw/zinc/30/04/06/993300406.db2.gz XYRNFBZOTSBFBS-VQIMIIECSA-N 2 2 406.958 3.808 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281906 993300414 /nfs/dbraw/zinc/30/04/14/993300414.db2.gz XYRNFBZOTSBFBS-VQIMIIECSA-N 2 2 406.958 3.808 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287470 993303843 /nfs/dbraw/zinc/30/38/43/993303843.db2.gz ZWWHLOHKVVMIHA-GDBMZVCRSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287470 993303851 /nfs/dbraw/zinc/30/38/51/993303851.db2.gz ZWWHLOHKVVMIHA-GDBMZVCRSA-N 2 2 402.366 3.753 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482665 993484846 /nfs/dbraw/zinc/48/48/46/993484846.db2.gz BNKXXRNXGLIDQX-IBGZPJMESA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482665 993484850 /nfs/dbraw/zinc/48/48/50/993484850.db2.gz BNKXXRNXGLIDQX-IBGZPJMESA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482665 993484857 /nfs/dbraw/zinc/48/48/57/993484857.db2.gz BNKXXRNXGLIDQX-IBGZPJMESA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482665 993484859 /nfs/dbraw/zinc/48/48/59/993484859.db2.gz BNKXXRNXGLIDQX-IBGZPJMESA-N 2 2 423.523 3.860 20 0 HHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482666 993484997 /nfs/dbraw/zinc/48/49/97/993484997.db2.gz BNKXXRNXGLIDQX-LJQANCHMSA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482666 993485005 /nfs/dbraw/zinc/48/50/05/993485005.db2.gz BNKXXRNXGLIDQX-LJQANCHMSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482666 993485010 /nfs/dbraw/zinc/48/50/10/993485010.db2.gz BNKXXRNXGLIDQX-LJQANCHMSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000472482666 993485016 /nfs/dbraw/zinc/48/50/16/993485016.db2.gz BNKXXRNXGLIDQX-LJQANCHMSA-N 2 2 423.523 3.860 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000480730878 993597148 /nfs/dbraw/zinc/59/71/48/993597148.db2.gz QAKAJFXDOKZXAY-QFIPXVFZSA-N 2 2 417.601 3.920 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000480794511 993663600 /nfs/dbraw/zinc/66/36/00/993663600.db2.gz SJVZZQPXSLNKSK-ZJSXRUAMSA-N 2 2 412.622 3.646 20 0 HHADLP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000480807218 993678116 /nfs/dbraw/zinc/67/81/16/993678116.db2.gz SZVWEQKRVPWIKV-INIZCTEOSA-N 2 2 421.511 3.975 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855716 993788193 /nfs/dbraw/zinc/78/81/93/993788193.db2.gz MQTPVZOPCJEMLQ-ZBFHGGJFSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855716 993788198 /nfs/dbraw/zinc/78/81/98/993788198.db2.gz MQTPVZOPCJEMLQ-ZBFHGGJFSA-N 2 2 424.376 3.816 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000472948662 993879643 /nfs/dbraw/zinc/87/96/43/993879643.db2.gz HAXKQVBSLQOPFA-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@@H](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000472948662 993879665 /nfs/dbraw/zinc/87/96/65/993879665.db2.gz HAXKQVBSLQOPFA-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481169247 994000614 /nfs/dbraw/zinc/00/06/14/994000614.db2.gz CDCMMNFBGJIAEC-CQSZACIVSA-N 2 2 411.377 3.985 20 0 HHADLP O=C(C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481176318 994006592 /nfs/dbraw/zinc/00/65/92/994006592.db2.gz NTANODXEWDGNJF-ILBGXUMGSA-N 2 2 421.585 3.848 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000481181352 994010992 /nfs/dbraw/zinc/01/09/92/994010992.db2.gz VSVBQUZBDDNPRN-LBVMUVSTSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000481181352 994010999 /nfs/dbraw/zinc/01/09/99/994010999.db2.gz VSVBQUZBDDNPRN-LBVMUVSTSA-N 2 2 407.558 3.515 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190310 994022450 /nfs/dbraw/zinc/02/24/50/994022450.db2.gz LGOUMMFBBBUPLH-SXGBIVQSSA-N 2 2 409.618 3.960 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190310 994022462 /nfs/dbraw/zinc/02/24/62/994022462.db2.gz LGOUMMFBBBUPLH-SXGBIVQSSA-N 2 2 409.618 3.960 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1Br ZINC000481194500 994027817 /nfs/dbraw/zinc/02/78/17/994027817.db2.gz WKQOQSVTSKRJHT-LBPRGKRZSA-N 2 2 420.189 3.709 20 0 HHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000481240651 994068805 /nfs/dbraw/zinc/06/88/05/994068805.db2.gz IKUQEVQSLOIFDW-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000473302394 994160799 /nfs/dbraw/zinc/16/07/99/994160799.db2.gz DVIKVWLNSZJXNJ-HXUWFJFHSA-N 2 2 408.571 3.514 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000473302394 994160807 /nfs/dbraw/zinc/16/08/07/994160807.db2.gz DVIKVWLNSZJXNJ-HXUWFJFHSA-N 2 2 408.571 3.514 20 0 HHADLP CC(C)C[C@H](C)n1nccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000481462025 994296490 /nfs/dbraw/zinc/29/64/90/994296490.db2.gz HGXLUQHVQVNQKS-IBGZPJMESA-N 2 2 404.603 3.562 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000481556395 994389632 /nfs/dbraw/zinc/38/96/32/994389632.db2.gz ITTKDQNUEUZFHV-HHXXYDBFSA-N 2 2 424.372 3.628 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000481556395 994389641 /nfs/dbraw/zinc/38/96/41/994389641.db2.gz ITTKDQNUEUZFHV-HHXXYDBFSA-N 2 2 424.372 3.628 20 0 HHADLP Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482014061 994921733 /nfs/dbraw/zinc/92/17/33/994921733.db2.gz IMPWVNBPERZCGV-UHFFFAOYSA-N 2 2 403.530 3.963 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023456 994937871 /nfs/dbraw/zinc/93/78/71/994937871.db2.gz ACNJIZIBXAXEEU-SJORKVTESA-N 2 2 414.377 3.739 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023456 994937881 /nfs/dbraw/zinc/93/78/81/994937881.db2.gz ACNJIZIBXAXEEU-SJORKVTESA-N 2 2 414.377 3.739 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035383 994953687 /nfs/dbraw/zinc/95/36/87/994953687.db2.gz ABLRYDRBKIPZNN-REWPJTCUSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035383 994953701 /nfs/dbraw/zinc/95/37/01/994953701.db2.gz ABLRYDRBKIPZNN-REWPJTCUSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000482114429 995062079 /nfs/dbraw/zinc/06/20/79/995062079.db2.gz MRNUOOOTHDNWGH-OAHLLOKOSA-N 2 2 407.345 3.778 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCSc2c(Cl)cccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482117035 995064128 /nfs/dbraw/zinc/06/41/28/995064128.db2.gz YXGOHZUDPXQNJV-GOSISDBHSA-N 2 2 416.978 3.600 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000482139810 995090315 /nfs/dbraw/zinc/09/03/15/995090315.db2.gz GTJPEWUIRUFDQK-JZXOWHBKSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000482139810 995090325 /nfs/dbraw/zinc/09/03/25/995090325.db2.gz GTJPEWUIRUFDQK-JZXOWHBKSA-N 2 2 415.500 3.759 20 0 HHADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000474221953 995216081 /nfs/dbraw/zinc/21/60/81/995216081.db2.gz VXQLIWOORINPGP-DEOSSOPVSA-N 2 2 407.558 3.911 20 0 HHADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000474221953 995216100 /nfs/dbraw/zinc/21/61/00/995216100.db2.gz VXQLIWOORINPGP-DEOSSOPVSA-N 2 2 407.558 3.911 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474612165 995564844 /nfs/dbraw/zinc/56/48/44/995564844.db2.gz NUVMBPGUFDFFIS-ZWKOTPCHSA-N 2 2 400.954 3.556 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719742 995705611 /nfs/dbraw/zinc/70/56/11/995705611.db2.gz UMEKMKFGPVQJLI-GMAHTHKFSA-N 2 2 414.638 3.695 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719742 995705618 /nfs/dbraw/zinc/70/56/18/995705618.db2.gz UMEKMKFGPVQJLI-GMAHTHKFSA-N 2 2 414.638 3.695 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482883979 995816408 /nfs/dbraw/zinc/81/64/08/995816408.db2.gz DIXFZHPOETVQFZ-ZIAGYGMSSA-N 2 2 408.436 3.633 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000482885429 995817882 /nfs/dbraw/zinc/81/78/82/995817882.db2.gz HBAIXBDZRYTZMZ-CQSZACIVSA-N 2 2 404.407 3.965 20 0 HHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000482907730 995837538 /nfs/dbraw/zinc/83/75/38/995837538.db2.gz YLOHIHBCQOEJTI-FQEVSTJZSA-N 2 2 403.636 3.926 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)C2 ZINC000475314004 996063900 /nfs/dbraw/zinc/06/39/00/996063900.db2.gz GOIPYBAQNOXBTG-OAHLLOKOSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)CC2 ZINC000475314004 996063909 /nfs/dbraw/zinc/06/39/09/996063909.db2.gz GOIPYBAQNOXBTG-OAHLLOKOSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C2 ZINC000475321195 996069189 /nfs/dbraw/zinc/06/91/89/996069189.db2.gz XILQJCXNJXKEGF-MRXNPFEDSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)CC2 ZINC000475321195 996069193 /nfs/dbraw/zinc/06/91/93/996069193.db2.gz XILQJCXNJXKEGF-MRXNPFEDSA-N 2 2 404.505 3.507 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000475611481 996247086 /nfs/dbraw/zinc/24/70/86/996247086.db2.gz YYFROICDTIRNIR-CQSZACIVSA-N 2 2 400.473 3.869 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730870 996330505 /nfs/dbraw/zinc/33/05/05/996330505.db2.gz SLWNIGWPEKWAPY-RDPSFJRHSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730870 996330511 /nfs/dbraw/zinc/33/05/11/996330511.db2.gz SLWNIGWPEKWAPY-RDPSFJRHSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730870 996330514 /nfs/dbraw/zinc/33/05/14/996330514.db2.gz SLWNIGWPEKWAPY-RDPSFJRHSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730870 996330522 /nfs/dbraw/zinc/33/05/22/996330522.db2.gz SLWNIGWPEKWAPY-RDPSFJRHSA-N 2 2 411.615 3.783 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475811074 996386060 /nfs/dbraw/zinc/38/60/60/996386060.db2.gz CDTSSVBILCSCLL-UXHICEINSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC2CC2)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475811074 996386063 /nfs/dbraw/zinc/38/60/63/996386063.db2.gz CDTSSVBILCSCLL-UXHICEINSA-N 2 2 418.651 3.813 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475820450 996392273 /nfs/dbraw/zinc/39/22/73/996392273.db2.gz VHCVOVOTDOUNGY-WOJBJXKFSA-N 2 2 404.599 3.591 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475820450 996392281 /nfs/dbraw/zinc/39/22/81/996392281.db2.gz VHCVOVOTDOUNGY-WOJBJXKFSA-N 2 2 404.599 3.591 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870669 996438435 /nfs/dbraw/zinc/43/84/35/996438435.db2.gz ZTHMRLAICAQZCG-INIZCTEOSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870669 996438438 /nfs/dbraw/zinc/43/84/38/996438438.db2.gz ZTHMRLAICAQZCG-INIZCTEOSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870669 996438441 /nfs/dbraw/zinc/43/84/41/996438441.db2.gz ZTHMRLAICAQZCG-INIZCTEOSA-N 2 2 419.570 3.768 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)n2)C1 ZINC000483870669 996438443 /nfs/dbraw/zinc/43/84/43/996438443.db2.gz ZTHMRLAICAQZCG-INIZCTEOSA-N 2 2 419.570 3.768 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2 ZINC000475929052 996478253 /nfs/dbraw/zinc/47/82/53/996478253.db2.gz KUMBXMFQPWRAHD-KRWDZBQOSA-N 2 2 404.624 3.506 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000475929052 996478256 /nfs/dbraw/zinc/47/82/56/996478256.db2.gz KUMBXMFQPWRAHD-KRWDZBQOSA-N 2 2 404.624 3.506 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)CC1 ZINC000483942603 996480738 /nfs/dbraw/zinc/48/07/38/996480738.db2.gz JFWZRIXAKGCLQJ-UHFFFAOYSA-N 2 2 420.557 3.598 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000484159698 996607859 /nfs/dbraw/zinc/60/78/59/996607859.db2.gz LJLNMPXPGDHHGR-YRISNDGFSA-N 2 2 418.965 3.891 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000484159698 996607863 /nfs/dbraw/zinc/60/78/63/996607863.db2.gz LJLNMPXPGDHHGR-YRISNDGFSA-N 2 2 418.965 3.891 20 0 HHADLP CCc1onc(-c2ccccc2)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476118772 996611268 /nfs/dbraw/zinc/61/12/68/996611268.db2.gz DTBVAPUYQDKPHJ-UHFFFAOYSA-N 2 2 410.562 3.584 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000476267580 996718239 /nfs/dbraw/zinc/71/82/39/996718239.db2.gz VSUGRQUKUUFVAM-CRAIPNDOSA-N 2 2 412.484 3.792 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000476267580 996718245 /nfs/dbraw/zinc/71/82/45/996718245.db2.gz VSUGRQUKUUFVAM-CRAIPNDOSA-N 2 2 412.484 3.792 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000476533740 997023353 /nfs/dbraw/zinc/02/33/53/997023353.db2.gz BWCJHCDKZJSZJW-GCJKJVERSA-N 2 2 410.562 3.600 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000476533740 997023366 /nfs/dbraw/zinc/02/33/66/997023366.db2.gz BWCJHCDKZJSZJW-GCJKJVERSA-N 2 2 410.562 3.600 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000476567121 997062744 /nfs/dbraw/zinc/06/27/44/997062744.db2.gz QEJZTJXYOOTYHY-IBGZPJMESA-N 2 2 409.578 3.798 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CCC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000476567121 997062750 /nfs/dbraw/zinc/06/27/50/997062750.db2.gz QEJZTJXYOOTYHY-IBGZPJMESA-N 2 2 409.578 3.798 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000476828695 997388902 /nfs/dbraw/zinc/38/89/02/997388902.db2.gz YOUGQEAWYZMTNJ-UXHICEINSA-N 2 2 411.590 3.885 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000476829568 997389527 /nfs/dbraw/zinc/38/95/27/997389527.db2.gz ZIHBRILBWCIAJL-HNNXBMFYSA-N 2 2 401.473 3.511 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000476852441 997421398 /nfs/dbraw/zinc/42/13/98/997421398.db2.gz TUNIHHLNHOARKX-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000476852441 997421408 /nfs/dbraw/zinc/42/14/08/997421408.db2.gz TUNIHHLNHOARKX-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000476879646 997461608 /nfs/dbraw/zinc/46/16/08/997461608.db2.gz BWJUBXUAUBEYAC-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000476879646 997461610 /nfs/dbraw/zinc/46/16/10/997461610.db2.gz BWJUBXUAUBEYAC-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000485109744 997491300 /nfs/dbraw/zinc/49/13/00/997491300.db2.gz SWAKESRSNJPQQP-UHFFFAOYSA-N 2 2 415.607 3.519 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000485109744 997491306 /nfs/dbraw/zinc/49/13/06/997491306.db2.gz SWAKESRSNJPQQP-UHFFFAOYSA-N 2 2 415.607 3.519 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982598 997603996 /nfs/dbraw/zinc/60/39/96/997603996.db2.gz RYTGJUBREMNEGH-QMMLZNLJSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982598 997604001 /nfs/dbraw/zinc/60/40/01/997604001.db2.gz RYTGJUBREMNEGH-QMMLZNLJSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982604 997604333 /nfs/dbraw/zinc/60/43/33/997604333.db2.gz RYTGJUBREMNEGH-YYWHXJBOSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982604 997604341 /nfs/dbraw/zinc/60/43/41/997604341.db2.gz RYTGJUBREMNEGH-YYWHXJBOSA-N 2 2 403.929 3.891 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@H]21 ZINC000485337549 997754571 /nfs/dbraw/zinc/75/45/71/997754571.db2.gz OGWVIUYGDMUJRF-ZILOHOTNSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@H]21 ZINC000485337549 997754579 /nfs/dbraw/zinc/75/45/79/997754579.db2.gz OGWVIUYGDMUJRF-ZILOHOTNSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@H]21 ZINC000485337549 997754585 /nfs/dbraw/zinc/75/45/85/997754585.db2.gz OGWVIUYGDMUJRF-ZILOHOTNSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@H]21 ZINC000485337549 997754593 /nfs/dbraw/zinc/75/45/93/997754593.db2.gz OGWVIUYGDMUJRF-ZILOHOTNSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340028 997757762 /nfs/dbraw/zinc/75/77/62/997757762.db2.gz HPLVWJFQVRJIFG-GPXOXTDOSA-N 2 2 403.570 3.577 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340028 997757774 /nfs/dbraw/zinc/75/77/74/997757774.db2.gz HPLVWJFQVRJIFG-GPXOXTDOSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340028 997757783 /nfs/dbraw/zinc/75/77/83/997757783.db2.gz HPLVWJFQVRJIFG-GPXOXTDOSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340028 997757792 /nfs/dbraw/zinc/75/77/92/997757792.db2.gz HPLVWJFQVRJIFG-GPXOXTDOSA-N 2 2 403.570 3.577 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000485474761 997922726 /nfs/dbraw/zinc/92/27/26/997922726.db2.gz AHKBVDNRHXPBRV-WOJBJXKFSA-N 2 2 409.578 3.610 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)cc1 ZINC000485504425 997961425 /nfs/dbraw/zinc/96/14/25/997961425.db2.gz LHXYMNLIXHCLEF-UNMCSNQZSA-N 2 2 409.578 3.530 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000485833920 998299863 /nfs/dbraw/zinc/29/98/63/998299863.db2.gz UXHVMSJYSRCJNR-MSOLQXFVSA-N 2 2 408.571 3.852 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000485833923 998300407 /nfs/dbraw/zinc/30/04/07/998300407.db2.gz UXHVMSJYSRCJNR-ZWKOTPCHSA-N 2 2 408.571 3.852 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000485944597 998388542 /nfs/dbraw/zinc/38/85/42/998388542.db2.gz MRJVWVISONNPRV-QGZVFWFLSA-N 2 2 420.479 3.587 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000485944597 998388552 /nfs/dbraw/zinc/38/85/52/998388552.db2.gz MRJVWVISONNPRV-QGZVFWFLSA-N 2 2 420.479 3.587 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999232 998443509 /nfs/dbraw/zinc/44/35/09/998443509.db2.gz DFNBGCSBNUXDDD-BAMDZGJYSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999232 998443512 /nfs/dbraw/zinc/44/35/12/998443512.db2.gz DFNBGCSBNUXDDD-BAMDZGJYSA-N 2 2 424.593 3.616 20 0 HHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486214306 998652261 /nfs/dbraw/zinc/65/22/61/998652261.db2.gz JZIFCMNABRZLKV-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486214306 998652264 /nfs/dbraw/zinc/65/22/64/998652264.db2.gz JZIFCMNABRZLKV-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000478033447 998725022 /nfs/dbraw/zinc/72/50/22/998725022.db2.gz BOSAPKSIJWXGQG-DEOSSOPVSA-N 2 2 423.605 3.996 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000478033447 998725027 /nfs/dbraw/zinc/72/50/27/998725027.db2.gz BOSAPKSIJWXGQG-DEOSSOPVSA-N 2 2 423.605 3.996 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048035 998734752 /nfs/dbraw/zinc/73/47/52/998734752.db2.gz PTBURBLTLOFVLG-HSQYWUDLSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048035 998734756 /nfs/dbraw/zinc/73/47/56/998734756.db2.gz PTBURBLTLOFVLG-HSQYWUDLSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048033 998734924 /nfs/dbraw/zinc/73/49/24/998734924.db2.gz PTBURBLTLOFVLG-BULFRSBZSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048033 998734928 /nfs/dbraw/zinc/73/49/28/998734928.db2.gz PTBURBLTLOFVLG-BULFRSBZSA-N 2 2 403.615 3.572 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000478049575 998735850 /nfs/dbraw/zinc/73/58/50/998735850.db2.gz WPCLKIAIJVUECN-IBGZPJMESA-N 2 2 401.599 3.913 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000478049575 998735852 /nfs/dbraw/zinc/73/58/52/998735852.db2.gz WPCLKIAIJVUECN-IBGZPJMESA-N 2 2 401.599 3.913 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478053218 998737924 /nfs/dbraw/zinc/73/79/24/998737924.db2.gz KXAFMDRQZCUBPI-SFHVURJKSA-N 2 2 403.567 3.619 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478053218 998737927 /nfs/dbraw/zinc/73/79/27/998737927.db2.gz KXAFMDRQZCUBPI-SFHVURJKSA-N 2 2 403.567 3.619 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000478185230 998809838 /nfs/dbraw/zinc/80/98/38/998809838.db2.gz WJMHWTRVFGIGAO-YKSBVNFPSA-N 2 2 419.573 3.773 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478417248 998946897 /nfs/dbraw/zinc/94/68/97/998946897.db2.gz MLXSYALBFZNMJG-RBUKOAKNSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478417248 998946899 /nfs/dbraw/zinc/94/68/99/998946899.db2.gz MLXSYALBFZNMJG-RBUKOAKNSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000478976386 999231472 /nfs/dbraw/zinc/23/14/72/999231472.db2.gz NLZPTNYEAIDLFG-IBGZPJMESA-N 2 2 404.352 3.606 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000478976386 999231473 /nfs/dbraw/zinc/23/14/73/999231473.db2.gz NLZPTNYEAIDLFG-IBGZPJMESA-N 2 2 404.352 3.606 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000487903024 999310684 /nfs/dbraw/zinc/31/06/84/999310684.db2.gz BQVGRBGWZBBXEF-UHFFFAOYSA-N 2 2 412.405 3.802 20 0 HHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479515675 999454995 /nfs/dbraw/zinc/45/49/95/999454995.db2.gz YMRLNRSMETYIHY-PELRDEGISA-N 2 2 405.608 3.529 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@@H+]2C2CC2)c1 ZINC000488377130 999465063 /nfs/dbraw/zinc/46/50/63/999465063.db2.gz XEWKLMUSBGIBEY-GGAORHGYSA-N 2 2 423.561 3.560 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)NCCCCNc3cccc[nH+]3)CC[N@H+]2C2CC2)c1 ZINC000488377130 999465065 /nfs/dbraw/zinc/46/50/65/999465065.db2.gz XEWKLMUSBGIBEY-GGAORHGYSA-N 2 2 423.561 3.560 20 0 HHADLP COc1c(Br)cccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479554704 999475073 /nfs/dbraw/zinc/47/50/73/999475073.db2.gz MNRZFQWJIPXQTC-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc21 ZINC000488461792 999494410 /nfs/dbraw/zinc/49/44/10/999494410.db2.gz QLJVLXCRUAZZLU-UHFFFAOYSA-N 2 2 402.502 3.816 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000488476191 999500095 /nfs/dbraw/zinc/50/00/95/999500095.db2.gz KQHDRRMVOMSYJY-DENIHFKCSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000488476191 999500101 /nfs/dbraw/zinc/50/01/01/999500101.db2.gz KQHDRRMVOMSYJY-DENIHFKCSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000488476194 999500192 /nfs/dbraw/zinc/50/01/92/999500192.db2.gz KQHDRRMVOMSYJY-UGKGYDQZSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000488476194 999500197 /nfs/dbraw/zinc/50/01/97/999500197.db2.gz KQHDRRMVOMSYJY-UGKGYDQZSA-N 2 2 422.598 3.903 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479810310 999605624 /nfs/dbraw/zinc/60/56/24/999605624.db2.gz LFWVCVWUUKBULH-LEWJYISDSA-N 2 2 408.537 3.665 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479810310 999605632 /nfs/dbraw/zinc/60/56/32/999605632.db2.gz LFWVCVWUUKBULH-LEWJYISDSA-N 2 2 408.537 3.665 20 0 HHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000479857282 999627042 /nfs/dbraw/zinc/62/70/42/999627042.db2.gz BKWDATOWYXQURE-GOSISDBHSA-N 2 2 404.580 3.625 20 0 HHADLP Brc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889217 999637440 /nfs/dbraw/zinc/63/74/40/999637440.db2.gz UPRWKACHYMQXML-HXUWFJFHSA-N 2 2 417.347 3.895 20 0 HHADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000480087921 999713771 /nfs/dbraw/zinc/71/37/71/999713771.db2.gz QARDADGNHCODRM-AMDXRBSFSA-N 2 2 408.590 3.727 20 0 HHADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000480087921 999713773 /nfs/dbraw/zinc/71/37/73/999713773.db2.gz QARDADGNHCODRM-AMDXRBSFSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480089237 999714183 /nfs/dbraw/zinc/71/41/83/999714183.db2.gz UKMKJFCPPYKOIG-DVECYGJZSA-N 2 2 406.530 3.605 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000489258884 999731931 /nfs/dbraw/zinc/73/19/31/999731931.db2.gz TYWQHQPDJIOZST-VQTJNVASSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000489258884 999731934 /nfs/dbraw/zinc/73/19/34/999731934.db2.gz TYWQHQPDJIOZST-VQTJNVASSA-N 2 2 406.574 3.986 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccc(N4CCOCC4)c3)CC2)c1 ZINC000480237708 999753336 /nfs/dbraw/zinc/75/33/36/999753336.db2.gz YVMUFOZYXBVTHG-QHCPKHFHSA-N 2 2 422.617 3.695 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000489371522 999753582 /nfs/dbraw/zinc/75/35/82/999753582.db2.gz BQQITOWBLZPZGQ-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247653 999755630 /nfs/dbraw/zinc/75/56/30/999755630.db2.gz MTXCKWHIALSOME-UEOMBKFZSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247653 999755632 /nfs/dbraw/zinc/75/56/32/999755632.db2.gz MTXCKWHIALSOME-UEOMBKFZSA-N 3 2 417.638 3.522 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@@H](CCC[N@H+]5C)C4)c3)CC[C@@H]21 ZINC000489399805 999759131 /nfs/dbraw/zinc/75/91/31/999759131.db2.gz ZCOMPNXOGDIYQB-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@@H](CCC[N@@H+]5C)C4)c3)CC[C@@H]21 ZINC000489399805 999759133 /nfs/dbraw/zinc/75/91/33/999759133.db2.gz ZCOMPNXOGDIYQB-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399805 999759134 /nfs/dbraw/zinc/75/91/34/999759134.db2.gz ZCOMPNXOGDIYQB-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399805 999759137 /nfs/dbraw/zinc/75/91/37/999759137.db2.gz ZCOMPNXOGDIYQB-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480529261 999819428 /nfs/dbraw/zinc/81/94/28/999819428.db2.gz QMLWQCFPZGDAHB-GOSISDBHSA-N 2 2 412.559 3.586 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489712521 999822768 /nfs/dbraw/zinc/82/27/68/999822768.db2.gz IQADZKLCJDUVSG-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489712521 999822769 /nfs/dbraw/zinc/82/27/69/999822769.db2.gz IQADZKLCJDUVSG-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)c1 ZINC000489728089 999826031 /nfs/dbraw/zinc/82/60/31/999826031.db2.gz JUJVUKXDHAONDG-VGSGFSFPSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)c1 ZINC000489728089 999826033 /nfs/dbraw/zinc/82/60/33/999826033.db2.gz JUJVUKXDHAONDG-VGSGFSFPSA-N 2 2 409.578 3.613 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(C)c1 ZINC000489729815 999826382 /nfs/dbraw/zinc/82/63/82/999826382.db2.gz RDYNNFZFPIODRL-WMZHIEFXSA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C)c1 ZINC000489729815 999826383 /nfs/dbraw/zinc/82/63/83/999826383.db2.gz RDYNNFZFPIODRL-WMZHIEFXSA-N 2 2 409.578 3.757 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000480610010 999840231 /nfs/dbraw/zinc/84/02/31/999840231.db2.gz MXYMKUZYBWLFBG-MRXNPFEDSA-N 2 2 421.463 3.824 20 0 HHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1OC ZINC000480612037 999840679 /nfs/dbraw/zinc/84/06/79/999840679.db2.gz PMJWJUPLFZKDDG-NRFANRHFSA-N 2 2 415.965 3.977 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000480631623 999845803 /nfs/dbraw/zinc/84/58/03/999845803.db2.gz PXPPUSREEPABBA-QFIPXVFZSA-N 2 2 405.542 3.610 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836573 999846878 /nfs/dbraw/zinc/84/68/78/999846878.db2.gz RZFQUIBNBAZRMS-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836573 999846880 /nfs/dbraw/zinc/84/68/80/999846880.db2.gz RZFQUIBNBAZRMS-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP CN(C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000490805088 1000008815 /nfs/dbraw/zinc/00/88/15/1000008815.db2.gz WMYVMFIJOJDYLY-WSWWRLHASA-N 2 2 422.658 3.559 20 0 HHADLP CN(C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490805088 1000008817 /nfs/dbraw/zinc/00/88/17/1000008817.db2.gz WMYVMFIJOJDYLY-WSWWRLHASA-N 2 2 422.658 3.559 20 0 HHADLP CSc1cccc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491024267 1000035406 /nfs/dbraw/zinc/03/54/06/1000035406.db2.gz SNOSHRVPNJEENO-QFIPXVFZSA-N 2 2 419.541 3.530 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+]2CCCC2)cc1 ZINC000491976921 1000103019 /nfs/dbraw/zinc/10/30/19/1000103019.db2.gz JEOUAEPMHXQYQM-OAQYLSRUSA-N 2 2 404.518 3.593 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210844 1000115530 /nfs/dbraw/zinc/11/55/30/1000115530.db2.gz OQFLAPBPHBDDMG-ILBGXUMGSA-N 2 2 414.553 3.658 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210844 1000115531 /nfs/dbraw/zinc/11/55/31/1000115531.db2.gz OQFLAPBPHBDDMG-ILBGXUMGSA-N 2 2 414.553 3.658 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011900 1000154208 /nfs/dbraw/zinc/15/42/08/1000154208.db2.gz WNAZZQJSFHJEFA-QHCPKHFHSA-N 2 2 419.972 3.548 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000493519714 1000177395 /nfs/dbraw/zinc/17/73/95/1000177395.db2.gz DMDZTGDDMJKFIK-QGZVFWFLSA-N 2 2 415.444 3.755 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c2cccs2)CC1 ZINC000504526058 1000251496 /nfs/dbraw/zinc/25/14/96/1000251496.db2.gz PFHFABMKNCYRHV-IBGZPJMESA-N 2 2 415.607 3.596 20 0 HHADLP C/C(=C/c1ccccc1)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293690 1000416658 /nfs/dbraw/zinc/41/66/58/1000416658.db2.gz RNTNOSVDWQFPSL-LFPSXHGSSA-N 2 2 421.585 3.559 20 0 HHADLP C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293690 1000416662 /nfs/dbraw/zinc/41/66/62/1000416662.db2.gz RNTNOSVDWQFPSL-LFPSXHGSSA-N 2 2 421.585 3.559 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC(F)F ZINC000494425729 1000486283 /nfs/dbraw/zinc/48/62/83/1000486283.db2.gz NDUURVWLZQWHCS-LBPRGKRZSA-N 2 2 416.266 3.750 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000505152296 1000581554 /nfs/dbraw/zinc/58/15/54/1000581554.db2.gz WPUIFNLWOXYRDC-OAQYLSRUSA-N 2 2 424.589 3.960 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000505169784 1000593628 /nfs/dbraw/zinc/59/36/28/1000593628.db2.gz UHLAYWDLZZJWLG-VAMGGRTRSA-N 2 2 412.603 3.805 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924948 1000732891 /nfs/dbraw/zinc/73/28/91/1000732891.db2.gz RQWMPPKMYDCUMF-JOCHJYFZSA-N 2 2 422.617 3.637 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000494993494 1000767626 /nfs/dbraw/zinc/76/76/26/1000767626.db2.gz BQKDDFXZWVNZRY-FYYLOGMGSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000494993494 1000767635 /nfs/dbraw/zinc/76/76/35/1000767635.db2.gz BQKDDFXZWVNZRY-FYYLOGMGSA-N 2 2 400.526 3.763 20 0 HHADLP Cc1noc(C2CCC([NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC000495075883 1000815131 /nfs/dbraw/zinc/81/51/31/1000815131.db2.gz VTDLHHVTWMRSPZ-UHFFFAOYSA-N 2 2 417.985 3.860 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000505491697 1000816902 /nfs/dbraw/zinc/81/69/02/1000816902.db2.gz RCUDPUOYCSAFAS-XMMPIXPASA-N 2 2 400.526 3.500 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000505491697 1000816908 /nfs/dbraw/zinc/81/69/08/1000816908.db2.gz RCUDPUOYCSAFAS-XMMPIXPASA-N 2 2 400.526 3.500 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521730 1000863734 /nfs/dbraw/zinc/86/37/34/1000863734.db2.gz XXMIXPGRYOJDDK-XUZZJYLKSA-N 2 2 421.585 3.813 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521730 1000863743 /nfs/dbraw/zinc/86/37/43/1000863743.db2.gz XXMIXPGRYOJDDK-XUZZJYLKSA-N 2 2 421.585 3.813 20 0 HHADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537882 1000886970 /nfs/dbraw/zinc/88/69/70/1000886970.db2.gz HIBNLLVAACLHAB-CTNGQTDRSA-N 2 2 420.395 3.530 20 0 HHADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537882 1000886974 /nfs/dbraw/zinc/88/69/74/1000886974.db2.gz HIBNLLVAACLHAB-CTNGQTDRSA-N 2 2 420.395 3.530 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000506479710 1001431795 /nfs/dbraw/zinc/43/17/95/1001431795.db2.gz YMOVRNAPOXRDIT-TXTKFYIRSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000506479710 1001431798 /nfs/dbraw/zinc/43/17/98/1001431798.db2.gz YMOVRNAPOXRDIT-TXTKFYIRSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913809 1001591313 /nfs/dbraw/zinc/59/13/13/1001591313.db2.gz GCNOFNAYMAXNJW-IFMALSPDSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913809 1001591317 /nfs/dbraw/zinc/59/13/17/1001591317.db2.gz GCNOFNAYMAXNJW-IFMALSPDSA-N 2 2 413.610 3.868 20 0 HHADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507106921 1001813770 /nfs/dbraw/zinc/81/37/70/1001813770.db2.gz XVRSIUWVLJVFIP-JTHBVZDNSA-N 2 2 421.589 3.946 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000507125699 1001824092 /nfs/dbraw/zinc/82/40/92/1001824092.db2.gz IGPIWIGEQXANRQ-HXUWFJFHSA-N 2 2 401.599 3.621 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498435137 1001865618 /nfs/dbraw/zinc/86/56/18/1001865618.db2.gz UVMLLDSKNDEZRB-UHFFFAOYSA-N 2 2 401.576 3.522 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498435137 1001865637 /nfs/dbraw/zinc/86/56/37/1001865637.db2.gz UVMLLDSKNDEZRB-UHFFFAOYSA-N 2 2 401.576 3.522 20 0 HHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313007 1001992694 /nfs/dbraw/zinc/99/26/94/1001992694.db2.gz CLJNELRKVXKLTR-RBUKOAKNSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313007 1001992706 /nfs/dbraw/zinc/99/27/06/1001992706.db2.gz CLJNELRKVXKLTR-RBUKOAKNSA-N 2 2 401.599 3.619 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000507318502 1001997884 /nfs/dbraw/zinc/99/78/84/1001997884.db2.gz MGLZCPCWABZYBJ-NQIIRXRSSA-N 2 2 413.541 3.550 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000507464882 1002086043 /nfs/dbraw/zinc/08/60/43/1002086043.db2.gz CMNMACADGPTNRD-DWQJTFDBSA-N 2 2 406.574 3.838 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507464882 1002086036 /nfs/dbraw/zinc/08/60/36/1002086036.db2.gz CMNMACADGPTNRD-DWQJTFDBSA-N 2 2 406.574 3.838 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)cc1 ZINC000498818272 1002202165 /nfs/dbraw/zinc/20/21/65/1002202165.db2.gz DNZZQGMRSYCHAF-JOCHJYFZSA-N 2 2 413.606 3.630 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C2CC2)cc1 ZINC000498818272 1002202174 /nfs/dbraw/zinc/20/21/74/1002202174.db2.gz DNZZQGMRSYCHAF-JOCHJYFZSA-N 2 2 413.606 3.630 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595870 1002202793 /nfs/dbraw/zinc/20/27/93/1002202793.db2.gz AJUYTVYRCKWTGE-CEMLEFRQSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[N@H+]1Cc1ccccc1 ZINC000507595870 1002202804 /nfs/dbraw/zinc/20/28/04/1002202804.db2.gz AJUYTVYRCKWTGE-CEMLEFRQSA-N 2 2 421.589 3.771 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000507935286 1002469407 /nfs/dbraw/zinc/46/94/07/1002469407.db2.gz WTBOADZFZJBTMG-UHFFFAOYSA-N 2 2 405.464 3.901 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000507935286 1002469415 /nfs/dbraw/zinc/46/94/15/1002469415.db2.gz WTBOADZFZJBTMG-UHFFFAOYSA-N 2 2 405.464 3.901 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236400 1002626558 /nfs/dbraw/zinc/62/65/58/1002626558.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236400 1002626566 /nfs/dbraw/zinc/62/65/66/1002626566.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236400 1002626575 /nfs/dbraw/zinc/62/65/75/1002626575.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236400 1002626592 /nfs/dbraw/zinc/62/65/92/1002626592.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 3 2 419.613 3.655 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cn2)CC1 ZINC000508838554 1003259614 /nfs/dbraw/zinc/25/96/14/1003259614.db2.gz XQUYVJOGQSPOOI-UHFFFAOYSA-N 2 2 405.521 3.570 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cn2)CC1 ZINC000508838554 1003259604 /nfs/dbraw/zinc/25/96/04/1003259604.db2.gz XQUYVJOGQSPOOI-UHFFFAOYSA-N 2 2 405.521 3.570 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000508991188 1003463043 /nfs/dbraw/zinc/46/30/43/1003463043.db2.gz PCIWWICSXRJOES-GOSISDBHSA-N 2 2 419.367 3.780 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000508991188 1003463051 /nfs/dbraw/zinc/46/30/51/1003463051.db2.gz PCIWWICSXRJOES-GOSISDBHSA-N 2 2 419.367 3.780 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000500131221 1003491859 /nfs/dbraw/zinc/49/18/59/1003491859.db2.gz VZPDJHORQWMORC-UHFFFAOYSA-N 2 2 409.578 3.913 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc4cccnc4s3)CC2)c1C ZINC000509022727 1003494633 /nfs/dbraw/zinc/49/46/33/1003494633.db2.gz NGJKEPIHCMJOPN-UHFFFAOYSA-N 2 2 411.575 3.808 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nc4cccnc4s3)CC2)c1C ZINC000509022727 1003494640 /nfs/dbraw/zinc/49/46/40/1003494640.db2.gz NGJKEPIHCMJOPN-UHFFFAOYSA-N 2 2 411.575 3.808 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304181 1003695611 /nfs/dbraw/zinc/69/56/11/1003695611.db2.gz QIKKMJAJLZASBE-WOJBJXKFSA-N 2 2 418.626 3.700 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304181 1003695612 /nfs/dbraw/zinc/69/56/12/1003695612.db2.gz QIKKMJAJLZASBE-WOJBJXKFSA-N 2 2 418.626 3.700 20 0 HHADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511921604 1003894393 /nfs/dbraw/zinc/89/43/93/1003894393.db2.gz HOPREHDYYQYXAP-IAGOWNOFSA-N 2 2 405.612 3.904 20 0 HHADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511921604 1003894403 /nfs/dbraw/zinc/89/44/03/1003894403.db2.gz HOPREHDYYQYXAP-IAGOWNOFSA-N 2 2 405.612 3.904 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000509527017 1003924526 /nfs/dbraw/zinc/92/45/26/1003924526.db2.gz MKEATENXYFMQJE-RTWAWAEBSA-N 2 2 409.578 3.540 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000509527017 1003924536 /nfs/dbraw/zinc/92/45/36/1003924536.db2.gz MKEATENXYFMQJE-RTWAWAEBSA-N 2 2 409.578 3.540 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551206 1003940074 /nfs/dbraw/zinc/94/00/74/1003940074.db2.gz DVAKLJYFGONREO-YOEHRIQHSA-N 2 2 404.440 3.877 20 0 HHADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509551206 1003940077 /nfs/dbraw/zinc/94/00/77/1003940077.db2.gz DVAKLJYFGONREO-YOEHRIQHSA-N 2 2 404.440 3.877 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000509596984 1003969976 /nfs/dbraw/zinc/96/99/76/1003969976.db2.gz WQATUVIOSMLGMR-FXAWDEMLSA-N 2 2 413.566 3.831 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178431 1004080950 /nfs/dbraw/zinc/08/09/50/1004080950.db2.gz AGUVKODMYNGESK-RTWAWAEBSA-N 2 2 409.578 3.610 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178431 1004080952 /nfs/dbraw/zinc/08/09/52/1004080952.db2.gz AGUVKODMYNGESK-RTWAWAEBSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197614 1004098067 /nfs/dbraw/zinc/09/80/67/1004098067.db2.gz UAMVWHPLXBNKRC-GBXCKJPGSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197614 1004098076 /nfs/dbraw/zinc/09/80/76/1004098076.db2.gz UAMVWHPLXBNKRC-GBXCKJPGSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197616 1004098583 /nfs/dbraw/zinc/09/85/83/1004098583.db2.gz UAMVWHPLXBNKRC-RDPSFJRHSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197616 1004098593 /nfs/dbraw/zinc/09/85/93/1004098593.db2.gz UAMVWHPLXBNKRC-RDPSFJRHSA-N 2 2 407.558 3.931 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000501009807 1004114071 /nfs/dbraw/zinc/11/40/71/1004114071.db2.gz DHKCWSQKLZLBQU-QZTJIDSGSA-N 2 2 402.608 3.749 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000501022931 1004125792 /nfs/dbraw/zinc/12/57/92/1004125792.db2.gz KWJJDYIMJMPMGR-IPMKNSEASA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000501022931 1004125799 /nfs/dbraw/zinc/12/57/99/1004125799.db2.gz KWJJDYIMJMPMGR-IPMKNSEASA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501031155 1004134775 /nfs/dbraw/zinc/13/47/75/1004134775.db2.gz XGPNPECQTOYZKB-FXAWDEMLSA-N 2 2 422.976 3.886 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000501034649 1004137664 /nfs/dbraw/zinc/13/76/64/1004137664.db2.gz HOORGOXINRBDIK-FQEVSTJZSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848077 1004146081 /nfs/dbraw/zinc/14/60/81/1004146081.db2.gz AZKKITHVCGWILZ-MZKRTTBSSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848077 1004146085 /nfs/dbraw/zinc/14/60/85/1004146085.db2.gz AZKKITHVCGWILZ-MZKRTTBSSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848077 1004146088 /nfs/dbraw/zinc/14/60/88/1004146088.db2.gz AZKKITHVCGWILZ-MZKRTTBSSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000509848077 1004146093 /nfs/dbraw/zinc/14/60/93/1004146093.db2.gz AZKKITHVCGWILZ-MZKRTTBSSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000509853465 1004150452 /nfs/dbraw/zinc/15/04/52/1004150452.db2.gz MHZMYMAUFCZFFS-TXTKFYIRSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000509855186 1004151210 /nfs/dbraw/zinc/15/12/10/1004151210.db2.gz QDBXVYVHCVMTAS-PMACEKPBSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+](C)C1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000501053326 1004155673 /nfs/dbraw/zinc/15/56/73/1004155673.db2.gz UYNKHNHRXARHDR-GOSISDBHSA-N 2 2 410.965 3.790 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000501056404 1004158535 /nfs/dbraw/zinc/15/85/35/1004158535.db2.gz TXAIPZFCYHSFMT-ROUUACIJSA-N 2 2 422.932 3.811 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501086409 1004192266 /nfs/dbraw/zinc/19/22/66/1004192266.db2.gz JXHRCGPZVPUJKY-NZYDNVMFSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501086409 1004192268 /nfs/dbraw/zinc/19/22/68/1004192268.db2.gz JXHRCGPZVPUJKY-NZYDNVMFSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000512430891 1004297557 /nfs/dbraw/zinc/29/75/57/1004297557.db2.gz VPCVRFJPOSVRSL-CTNGQTDRSA-N 2 2 407.562 3.623 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000501256500 1004317743 /nfs/dbraw/zinc/31/77/43/1004317743.db2.gz JLJWWFPOZCVXLX-UHFFFAOYSA-N 2 2 421.585 3.862 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501504898 1004474018 /nfs/dbraw/zinc/47/40/18/1004474018.db2.gz OHQONTISUKMCMY-HXUWFJFHSA-N 2 2 421.010 3.922 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501504898 1004474023 /nfs/dbraw/zinc/47/40/23/1004474023.db2.gz OHQONTISUKMCMY-HXUWFJFHSA-N 2 2 421.010 3.922 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000510331094 1004486827 /nfs/dbraw/zinc/48/68/27/1004486827.db2.gz IUJFRUZBPYZIHF-LJQANCHMSA-N 2 2 422.976 3.886 20 0 HHADLP COc1ccc2oc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512683868 1004491692 /nfs/dbraw/zinc/49/16/92/1004491692.db2.gz YRODFZGQKQFREO-HXUWFJFHSA-N 2 2 420.557 3.871 20 0 HHADLP COc1ccc2oc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512683868 1004491694 /nfs/dbraw/zinc/49/16/94/1004491694.db2.gz YRODFZGQKQFREO-HXUWFJFHSA-N 2 2 420.557 3.871 20 0 HHADLP C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510511296 1004634429 /nfs/dbraw/zinc/63/44/29/1004634429.db2.gz KYCSDTJLZHYZJH-HNAYVOBHSA-N 2 2 408.949 3.566 20 0 HHADLP C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510511296 1004634433 /nfs/dbraw/zinc/63/44/33/1004634433.db2.gz KYCSDTJLZHYZJH-HNAYVOBHSA-N 2 2 408.949 3.566 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510547371 1004681310 /nfs/dbraw/zinc/68/13/10/1004681310.db2.gz JZOQJXXLMZLCCZ-RCDICMHDSA-N 2 2 400.473 3.739 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510547070 1004681368 /nfs/dbraw/zinc/68/13/68/1004681368.db2.gz JZOQJXXLMZLCCZ-PEBXRYMYSA-N 2 2 400.473 3.739 20 0 HHADLP O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000510604514 1004747411 /nfs/dbraw/zinc/74/74/11/1004747411.db2.gz ZUPAFRVFGPVYOO-HSZRJFAPSA-N 2 2 402.542 3.976 20 0 HHADLP O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000510604514 1004747415 /nfs/dbraw/zinc/74/74/15/1004747415.db2.gz ZUPAFRVFGPVYOO-HSZRJFAPSA-N 2 2 402.542 3.976 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510644188 1004774749 /nfs/dbraw/zinc/77/47/49/1004774749.db2.gz HBLRRWBAPJDTID-NAYASGRBSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510644188 1004774754 /nfs/dbraw/zinc/77/47/54/1004774754.db2.gz HBLRRWBAPJDTID-NAYASGRBSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510644188 1004774757 /nfs/dbraw/zinc/77/47/57/1004774757.db2.gz HBLRRWBAPJDTID-NAYASGRBSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510644188 1004774761 /nfs/dbraw/zinc/77/47/61/1004774761.db2.gz HBLRRWBAPJDTID-NAYASGRBSA-N 2 2 420.548 3.662 20 0 HHADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000513109719 1004812057 /nfs/dbraw/zinc/81/20/57/1004812057.db2.gz DZJPPKXAGYRVJR-UHFFFAOYSA-N 2 2 409.574 3.536 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3ccccc3C(F)(F)F)cn2)CC1 ZINC000513134563 1004825174 /nfs/dbraw/zinc/82/51/74/1004825174.db2.gz ZLVFZINFHQJADV-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3ccccc3C(F)(F)F)cn2)CC1 ZINC000513134563 1004825176 /nfs/dbraw/zinc/82/51/76/1004825176.db2.gz ZLVFZINFHQJADV-HXUWFJFHSA-N 2 2 419.495 3.974 20 0 HHADLP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000510790964 1004854130 /nfs/dbraw/zinc/85/41/30/1004854130.db2.gz JUGHWRXQSATMJO-GOTSBHOMSA-N 2 2 401.501 3.597 20 0 HHADLP OCC1(Cc2ccccc2)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510798807 1004859009 /nfs/dbraw/zinc/85/90/09/1004859009.db2.gz UAZMZKJFGRSIJM-UHFFFAOYSA-N 2 2 407.602 3.516 20 0 HHADLP Cc1csc(N2CCC([NH2+]CC3([NH2+][C@H](C)c4ccccc4)CCOCC3)CC2)n1 ZINC000513207758 1004860918 /nfs/dbraw/zinc/86/09/18/1004860918.db2.gz FQRVHEIAZBAAOU-LJQANCHMSA-N 2 2 414.619 3.910 20 0 HHADLP COCC[N@H+](C)CC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510847741 1004889375 /nfs/dbraw/zinc/88/93/75/1004889375.db2.gz UGQAJDDPHJJUFF-JOCHJYFZSA-N 2 2 406.530 3.620 20 0 HHADLP COCC[N@@H+](C)CC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510847741 1004889378 /nfs/dbraw/zinc/88/93/78/1004889378.db2.gz UGQAJDDPHJJUFF-JOCHJYFZSA-N 2 2 406.530 3.620 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513442213 1004968138 /nfs/dbraw/zinc/96/81/38/1004968138.db2.gz FVPJDWDQKGCQGI-UHFFFAOYSA-N 2 2 418.541 3.944 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513442213 1004968143 /nfs/dbraw/zinc/96/81/43/1004968143.db2.gz FVPJDWDQKGCQGI-UHFFFAOYSA-N 2 2 418.541 3.944 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323387 1005012166 /nfs/dbraw/zinc/01/21/66/1005012166.db2.gz VUXKUJIYBGXBAP-HXUWFJFHSA-N 2 2 405.546 3.912 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323387 1005012171 /nfs/dbraw/zinc/01/21/71/1005012171.db2.gz VUXKUJIYBGXBAP-HXUWFJFHSA-N 2 2 405.546 3.912 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)cc3Br)CC2)CC1 ZINC000513647108 1005064760 /nfs/dbraw/zinc/06/47/60/1005064760.db2.gz GDWNBACLDYZEOK-UHFFFAOYSA-N 2 2 422.411 3.524 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000513678591 1005078826 /nfs/dbraw/zinc/07/88/26/1005078826.db2.gz PNEKVMPMJDOSED-JOCHJYFZSA-N 2 2 416.013 3.744 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000513678591 1005078833 /nfs/dbraw/zinc/07/88/33/1005078833.db2.gz PNEKVMPMJDOSED-JOCHJYFZSA-N 2 2 416.013 3.744 20 0 HHADLP CC[C@H]1C[C@@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C)c1 ZINC000502495446 1005091646 /nfs/dbraw/zinc/09/16/46/1005091646.db2.gz MZPWNSZFDKMNSO-OFVILXPXSA-N 2 2 407.558 3.681 20 0 HHADLP CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366874 1005141295 /nfs/dbraw/zinc/14/12/95/1005141295.db2.gz LBZVAZDAOMCIJK-VXKWHMMOSA-N 2 2 405.945 3.702 20 0 HHADLP CC(C)C[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000511372529 1005144742 /nfs/dbraw/zinc/14/47/42/1005144742.db2.gz IUPNXSFEWKKVNX-BAGYTPMASA-N 2 2 409.578 3.725 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)CC1 ZINC000502627238 1005147854 /nfs/dbraw/zinc/14/78/54/1005147854.db2.gz KKVQYRXMKJCVSB-UHFFFAOYSA-N 2 2 413.610 3.914 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1C ZINC000502828990 1005235410 /nfs/dbraw/zinc/23/54/10/1005235410.db2.gz YGFWMJRCKYYKQO-UHFFFAOYSA-N 2 2 402.583 3.892 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000514033305 1005236254 /nfs/dbraw/zinc/23/62/54/1005236254.db2.gz RZJJWQZULHWQCT-UHFFFAOYSA-N 2 2 407.493 3.607 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000502845383 1005241889 /nfs/dbraw/zinc/24/18/89/1005241889.db2.gz QMAPWGKGMIIOSU-NRFANRHFSA-N 2 2 416.610 3.567 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000502845383 1005241892 /nfs/dbraw/zinc/24/18/92/1005241892.db2.gz QMAPWGKGMIIOSU-NRFANRHFSA-N 2 2 416.610 3.567 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000502947376 1005287393 /nfs/dbraw/zinc/28/73/93/1005287393.db2.gz FCRXKUNUPTUBPM-IBGZPJMESA-N 2 2 405.546 3.860 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503054790 1005329967 /nfs/dbraw/zinc/32/99/67/1005329967.db2.gz UMUKHPYFBRWJCE-XXBNENTESA-N 2 2 404.514 3.984 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503054790 1005329970 /nfs/dbraw/zinc/32/99/70/1005329970.db2.gz UMUKHPYFBRWJCE-XXBNENTESA-N 2 2 404.514 3.984 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503074789 1005339385 /nfs/dbraw/zinc/33/93/85/1005339385.db2.gz RYJTWUQZBFKNSR-OXQOHEQNSA-N 2 2 412.921 3.996 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503074789 1005339392 /nfs/dbraw/zinc/33/93/92/1005339392.db2.gz RYJTWUQZBFKNSR-OXQOHEQNSA-N 2 2 412.921 3.996 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374119 1005401150 /nfs/dbraw/zinc/40/11/50/1005401150.db2.gz YVRZXAJZBKQKFD-RTBURBONSA-N 2 2 423.561 3.752 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374119 1005401152 /nfs/dbraw/zinc/40/11/52/1005401152.db2.gz YVRZXAJZBKQKFD-RTBURBONSA-N 2 2 423.561 3.752 20 0 HHADLP O[C@@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405972 1005410346 /nfs/dbraw/zinc/41/03/46/1005410346.db2.gz ACIKGJVJONHSDJ-SJLPKXTDSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405972 1005410348 /nfs/dbraw/zinc/41/03/48/1005410348.db2.gz ACIKGJVJONHSDJ-SJLPKXTDSA-N 2 2 423.479 3.858 20 0 HHADLP Cc1ccc(NCCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000503408559 1005410982 /nfs/dbraw/zinc/41/09/82/1005410982.db2.gz RAMQXTDEVPDSRM-UHFFFAOYSA-N 2 2 415.969 3.809 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503445733 1005422692 /nfs/dbraw/zinc/42/26/92/1005422692.db2.gz GLUKHQCVYBYCHR-QHCPKHFHSA-N 2 2 409.578 3.729 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000503466149 1005429093 /nfs/dbraw/zinc/42/90/93/1005429093.db2.gz RXWJMEDWIOKEKP-BGYRXZFFSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000503466149 1005429095 /nfs/dbraw/zinc/42/90/95/1005429095.db2.gz RXWJMEDWIOKEKP-BGYRXZFFSA-N 2 2 409.578 3.908 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503473156 1005431301 /nfs/dbraw/zinc/43/13/01/1005431301.db2.gz VWGLGTICHCBFSE-JOCHJYFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503473156 1005431303 /nfs/dbraw/zinc/43/13/03/1005431303.db2.gz VWGLGTICHCBFSE-JOCHJYFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)CC1 ZINC000503565859 1005454223 /nfs/dbraw/zinc/45/42/23/1005454223.db2.gz SYAKOHMJXCNJOW-FQEVSTJZSA-N 2 2 400.611 3.584 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)CC1 ZINC000503565859 1005454225 /nfs/dbraw/zinc/45/42/25/1005454225.db2.gz SYAKOHMJXCNJOW-FQEVSTJZSA-N 2 2 400.611 3.584 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612297 1005465061 /nfs/dbraw/zinc/46/50/61/1005465061.db2.gz BJNNVWNNQLKZJQ-QAPCUYQASA-N 2 2 423.483 3.528 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612297 1005465062 /nfs/dbraw/zinc/46/50/62/1005465062.db2.gz BJNNVWNNQLKZJQ-QAPCUYQASA-N 2 2 423.483 3.528 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000514436528 1005989593 /nfs/dbraw/zinc/98/95/93/1005989593.db2.gz IJSKQEVQGZUCPS-LJQANCHMSA-N 2 2 412.603 3.801 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000531201382 1006043104 /nfs/dbraw/zinc/04/31/04/1006043104.db2.gz LIWWKXCDOXLUFC-VWLOTQADSA-N 2 2 414.553 3.716 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000531201382 1006043116 /nfs/dbraw/zinc/04/31/16/1006043116.db2.gz LIWWKXCDOXLUFC-VWLOTQADSA-N 2 2 414.553 3.716 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)on1 ZINC000534227855 1006226141 /nfs/dbraw/zinc/22/61/41/1006226141.db2.gz FXJPWDMSQQNJTQ-UHFFFAOYSA-N 2 2 410.562 3.899 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)on1 ZINC000534227855 1006226165 /nfs/dbraw/zinc/22/61/65/1006226165.db2.gz FXJPWDMSQQNJTQ-UHFFFAOYSA-N 2 2 410.562 3.899 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000531585043 1006286622 /nfs/dbraw/zinc/28/66/22/1006286622.db2.gz MWDPNFSOQLMQNS-UIFIKXQLSA-N 2 2 415.969 3.966 20 0 HHADLP c1cnn(-c2cccc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000531603228 1006300561 /nfs/dbraw/zinc/30/05/61/1006300561.db2.gz TXDVMOPHKPNHFR-UHFFFAOYSA-N 2 2 403.574 3.560 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccccc3)c3cccc(Cl)c3)cn2)CC1 ZINC000531629413 1006315575 /nfs/dbraw/zinc/31/55/75/1006315575.db2.gz BQJSLNDNTUHXFO-JOCHJYFZSA-N 2 2 407.949 3.761 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359134 1006321790 /nfs/dbraw/zinc/32/17/90/1006321790.db2.gz GAVHACDGBNTXAR-QRQLOZEOSA-N 2 2 422.639 3.568 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359134 1006321799 /nfs/dbraw/zinc/32/17/99/1006321799.db2.gz GAVHACDGBNTXAR-QRQLOZEOSA-N 2 2 422.639 3.568 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358873 1006322347 /nfs/dbraw/zinc/32/23/47/1006322347.db2.gz PPWNMWJSXBTGNI-UXHICEINSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358873 1006322354 /nfs/dbraw/zinc/32/23/54/1006322354.db2.gz PPWNMWJSXBTGNI-UXHICEINSA-N 2 2 401.526 3.981 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360699 1006324904 /nfs/dbraw/zinc/32/49/04/1006324904.db2.gz PHFFSMDPUSLQEI-XZOQPEGZSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360699 1006324916 /nfs/dbraw/zinc/32/49/16/1006324916.db2.gz PHFFSMDPUSLQEI-XZOQPEGZSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384913 1006357485 /nfs/dbraw/zinc/35/74/85/1006357485.db2.gz LVSVKYWGLUVBCT-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384913 1006357496 /nfs/dbraw/zinc/35/74/96/1006357496.db2.gz LVSVKYWGLUVBCT-DHIUTWEWSA-N 2 2 400.611 3.516 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531695378 1006359356 /nfs/dbraw/zinc/35/93/56/1006359356.db2.gz PVEJGQCYBFXTAL-DNVCBOLYSA-N 2 2 405.420 3.982 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000515385349 1006430384 /nfs/dbraw/zinc/43/03/84/1006430384.db2.gz ZOQNPCDYDINQJK-RHSMWYFYSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000515385349 1006430389 /nfs/dbraw/zinc/43/03/89/1006430389.db2.gz ZOQNPCDYDINQJK-RHSMWYFYSA-N 2 2 407.609 3.861 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534553186 1006544215 /nfs/dbraw/zinc/54/42/15/1006544215.db2.gz GIYYGPNTTCSWCT-OAQYLSRUSA-N 2 2 413.525 3.848 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534553186 1006544226 /nfs/dbraw/zinc/54/42/26/1006544226.db2.gz GIYYGPNTTCSWCT-OAQYLSRUSA-N 2 2 413.525 3.848 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000531973001 1006554456 /nfs/dbraw/zinc/55/44/56/1006554456.db2.gz CBBDVEFLBYXNMX-CYBMUJFWSA-N 2 2 421.891 3.776 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000531974919 1006555031 /nfs/dbraw/zinc/55/50/31/1006555031.db2.gz AHDWOARKNBSWLC-OAHLLOKOSA-N 2 2 411.974 3.545 20 0 HHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000531976307 1006556157 /nfs/dbraw/zinc/55/61/57/1006556157.db2.gz ZTBKGKBBEBNEBZ-VQSBYGRUSA-N 2 2 400.485 3.712 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351218 1006617965 /nfs/dbraw/zinc/61/79/65/1006617965.db2.gz WEOCPKAZWSANIH-WOJBJXKFSA-N 2 2 416.614 3.581 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351218 1006617974 /nfs/dbraw/zinc/61/79/74/1006617974.db2.gz WEOCPKAZWSANIH-WOJBJXKFSA-N 2 2 416.614 3.581 20 0 HHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532202381 1006717730 /nfs/dbraw/zinc/71/77/30/1006717730.db2.gz IRBBNAHDOYJZSX-KRWDZBQOSA-N 2 2 400.954 3.731 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000532236699 1006742060 /nfs/dbraw/zinc/74/20/60/1006742060.db2.gz ZGGBKUPPAZZFJO-MRXNPFEDSA-N 2 2 415.965 3.755 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@H](C)[C@@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535617 1006798151 /nfs/dbraw/zinc/79/81/51/1006798151.db2.gz SFCIPRUXPJXUGI-GJZUVCINSA-N 2 2 422.617 3.698 20 0 HHADLP CCN1CC[NH+](Cc2ccc(N[C@H](C)[C@@H](c3ccccc3)[NH+]3CCOCC3)cc2)CC1 ZINC000538535617 1006798164 /nfs/dbraw/zinc/79/81/64/1006798164.db2.gz SFCIPRUXPJXUGI-GJZUVCINSA-N 2 2 422.617 3.698 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607315 1006878589 /nfs/dbraw/zinc/87/85/89/1006878589.db2.gz FRRMXWDRMPUGFB-RPWUZVMVSA-N 2 2 414.638 3.942 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607315 1006878598 /nfs/dbraw/zinc/87/85/98/1006878598.db2.gz FRRMXWDRMPUGFB-RPWUZVMVSA-N 2 2 414.638 3.942 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccccc3)n2)C1 ZINC000516204164 1006942405 /nfs/dbraw/zinc/94/24/05/1006942405.db2.gz SBWNXDMQEICHFZ-KRWDZBQOSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccccc3)n2)C1 ZINC000516204164 1006942413 /nfs/dbraw/zinc/94/24/13/1006942413.db2.gz SBWNXDMQEICHFZ-KRWDZBQOSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)Cc3ccccc3)n2)C1 ZINC000516204164 1006942428 /nfs/dbraw/zinc/94/24/28/1006942428.db2.gz SBWNXDMQEICHFZ-KRWDZBQOSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)Cc3ccccc3)n2)C1 ZINC000516204164 1006942440 /nfs/dbraw/zinc/94/24/40/1006942440.db2.gz SBWNXDMQEICHFZ-KRWDZBQOSA-N 2 2 401.580 3.629 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538723170 1006999081 /nfs/dbraw/zinc/99/90/81/1006999081.db2.gz NKZGNZQYCJXDQR-SXWKCWPCSA-N 2 2 404.618 3.766 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538723170 1006999092 /nfs/dbraw/zinc/99/90/92/1006999092.db2.gz NKZGNZQYCJXDQR-SXWKCWPCSA-N 2 2 404.618 3.766 20 0 HHADLP C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535007737 1007063876 /nfs/dbraw/zinc/06/38/76/1007063876.db2.gz VKUGVPMNUHRBBO-MNHALERFSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535007737 1007063885 /nfs/dbraw/zinc/06/38/85/1007063885.db2.gz VKUGVPMNUHRBBO-MNHALERFSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535007737 1007063895 /nfs/dbraw/zinc/06/38/95/1007063895.db2.gz VKUGVPMNUHRBBO-MNHALERFSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535007737 1007063903 /nfs/dbraw/zinc/06/39/03/1007063903.db2.gz VKUGVPMNUHRBBO-MNHALERFSA-N 4 2 414.682 3.664 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000535019144 1007067451 /nfs/dbraw/zinc/06/74/51/1007067451.db2.gz CAFWHRBNWFKEFI-JOCHJYFZSA-N 2 2 401.620 3.547 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093276 1007106785 /nfs/dbraw/zinc/10/67/85/1007106785.db2.gz BWSQNUUYFRTJMF-UEVCKROQSA-N 2 2 401.595 3.558 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093276 1007106793 /nfs/dbraw/zinc/10/67/93/1007106793.db2.gz BWSQNUUYFRTJMF-UEVCKROQSA-N 2 2 401.595 3.558 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093158 1007107114 /nfs/dbraw/zinc/10/71/14/1007107114.db2.gz BWEQFVOEPNMRKA-PKTZIBPZSA-N 2 2 400.611 3.593 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093158 1007107117 /nfs/dbraw/zinc/10/71/17/1007107117.db2.gz BWEQFVOEPNMRKA-PKTZIBPZSA-N 2 2 400.611 3.593 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093277 1007107196 /nfs/dbraw/zinc/10/71/96/1007107196.db2.gz BWSQNUUYFRTJMF-WTIAFYNJSA-N 2 2 401.595 3.558 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093277 1007107201 /nfs/dbraw/zinc/10/72/01/1007107201.db2.gz BWSQNUUYFRTJMF-WTIAFYNJSA-N 2 2 401.595 3.558 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093544 1007108544 /nfs/dbraw/zinc/10/85/44/1007108544.db2.gz DDOHRCOMCBRNNN-FGZHOGPDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093544 1007108547 /nfs/dbraw/zinc/10/85/47/1007108547.db2.gz DDOHRCOMCBRNNN-FGZHOGPDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094439 1007109248 /nfs/dbraw/zinc/10/92/48/1007109248.db2.gz HWFQEVMNNNVQDH-FGZHOGPDSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2c(cccc2F)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094439 1007109253 /nfs/dbraw/zinc/10/92/53/1007109253.db2.gz HWFQEVMNNNVQDH-FGZHOGPDSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095106 1007110922 /nfs/dbraw/zinc/11/09/22/1007110922.db2.gz JRKDFBTYWIITGR-VQTJNVASSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095106 1007110923 /nfs/dbraw/zinc/11/09/23/1007110923.db2.gz JRKDFBTYWIITGR-VQTJNVASSA-N 2 2 423.548 3.626 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096918 1007114147 /nfs/dbraw/zinc/11/41/47/1007114147.db2.gz YFLWEVOGASTXHF-YADHBBJMSA-N 2 2 403.636 3.959 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096918 1007114158 /nfs/dbraw/zinc/11/41/58/1007114158.db2.gz YFLWEVOGASTXHF-YADHBBJMSA-N 2 2 403.636 3.959 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097059 1007115432 /nfs/dbraw/zinc/11/54/32/1007115432.db2.gz XYLIQMFJCXZLFP-YADHBBJMSA-N 2 2 419.585 3.563 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097059 1007115439 /nfs/dbraw/zinc/11/54/39/1007115439.db2.gz XYLIQMFJCXZLFP-YADHBBJMSA-N 2 2 419.585 3.563 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097776 1007116564 /nfs/dbraw/zinc/11/65/64/1007116564.db2.gz XZWBSOSPZMULOG-MAODMQOUSA-N 2 2 404.599 3.581 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097776 1007116569 /nfs/dbraw/zinc/11/65/69/1007116569.db2.gz XZWBSOSPZMULOG-MAODMQOUSA-N 2 2 404.599 3.581 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535098021 1007116912 /nfs/dbraw/zinc/11/69/12/1007116912.db2.gz BJJLMXAHIHBCOM-RTWAWAEBSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535098021 1007116918 /nfs/dbraw/zinc/11/69/18/1007116918.db2.gz BJJLMXAHIHBCOM-RTWAWAEBSA-N 2 2 407.986 3.514 20 0 HHADLP O=C(C[NH2+][C@H](c1ccccc1)C1CCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000532716862 1007128554 /nfs/dbraw/zinc/12/85/54/1007128554.db2.gz GLDDAIGQXMWQSR-AREMUKBSSA-N 2 2 421.585 3.656 20 0 HHADLP CC[N@H+](CC(=O)NCc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733433 1007143715 /nfs/dbraw/zinc/14/37/15/1007143715.db2.gz CNZCZKAZNNZWCS-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP CC[N@@H+](CC(=O)NCc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733433 1007143721 /nfs/dbraw/zinc/14/37/21/1007143721.db2.gz CNZCZKAZNNZWCS-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117388 1007146972 /nfs/dbraw/zinc/14/69/72/1007146972.db2.gz QTJATCYZJNXEEM-UXHICEINSA-N 2 2 410.965 3.740 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117388 1007146980 /nfs/dbraw/zinc/14/69/80/1007146980.db2.gz QTJATCYZJNXEEM-UXHICEINSA-N 2 2 410.965 3.740 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119778 1007151949 /nfs/dbraw/zinc/15/19/49/1007151949.db2.gz DDSPYEPIMDJBJM-FCHUYYIVSA-N 2 2 422.658 3.562 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119778 1007151955 /nfs/dbraw/zinc/15/19/55/1007151955.db2.gz DDSPYEPIMDJBJM-FCHUYYIVSA-N 2 2 422.658 3.562 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535120059 1007152978 /nfs/dbraw/zinc/15/29/78/1007152978.db2.gz GEYMOTMJRYMOOE-XCWFNORRSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535120059 1007152983 /nfs/dbraw/zinc/15/29/83/1007152983.db2.gz GEYMOTMJRYMOOE-XCWFNORRSA-N 2 2 404.643 3.934 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121486 1007153672 /nfs/dbraw/zinc/15/36/72/1007153672.db2.gz NRWABIJQPXRXII-NMNUPHIUSA-N 2 2 416.610 3.735 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121486 1007153677 /nfs/dbraw/zinc/15/36/77/1007153677.db2.gz NRWABIJQPXRXII-NMNUPHIUSA-N 2 2 416.610 3.735 20 0 HHADLP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1)CC1CC1 ZINC000538949738 1007237547 /nfs/dbraw/zinc/23/75/47/1007237547.db2.gz VNEHFDILBCSALM-HXUWFJFHSA-N 2 2 422.411 3.810 20 0 HHADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1)CC1CC1 ZINC000538949738 1007237554 /nfs/dbraw/zinc/23/75/54/1007237554.db2.gz VNEHFDILBCSALM-HXUWFJFHSA-N 2 2 422.411 3.810 20 0 HHADLP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(SC)cc1OC ZINC000532866679 1007254265 /nfs/dbraw/zinc/25/42/65/1007254265.db2.gz ZTEVBJOVAURBHL-UHFFFAOYSA-N 2 2 416.591 3.963 20 0 HHADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000539023437 1007321391 /nfs/dbraw/zinc/32/13/91/1007321391.db2.gz DQTXGIAHJOAFSU-LJQANCHMSA-N 2 2 406.014 3.975 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000532956695 1007323199 /nfs/dbraw/zinc/32/31/99/1007323199.db2.gz JAGOLZZOZDCXMD-KSZLIROESA-N 2 2 407.986 3.797 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000532956695 1007323213 /nfs/dbraw/zinc/32/32/13/1007323213.db2.gz JAGOLZZOZDCXMD-KSZLIROESA-N 2 2 407.986 3.797 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccccc3OCc3cccnc3)[nH+]c2)C1 ZINC000532984683 1007355340 /nfs/dbraw/zinc/35/53/40/1007355340.db2.gz LHXKQFPWBBBIFV-QFIPXVFZSA-N 2 2 403.530 3.808 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143435 1007439223 /nfs/dbraw/zinc/43/92/23/1007439223.db2.gz RWAMUYHUUQBFDO-ORYQWCPZSA-N 2 2 424.992 3.892 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143435 1007439228 /nfs/dbraw/zinc/43/92/28/1007439228.db2.gz RWAMUYHUUQBFDO-ORYQWCPZSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143435 1007439232 /nfs/dbraw/zinc/43/92/32/1007439232.db2.gz RWAMUYHUUQBFDO-ORYQWCPZSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143435 1007439238 /nfs/dbraw/zinc/43/92/38/1007439238.db2.gz RWAMUYHUUQBFDO-ORYQWCPZSA-N 2 2 424.992 3.892 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000539145717 1007441057 /nfs/dbraw/zinc/44/10/57/1007441057.db2.gz ANZFJJCXNGEJQO-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000539145717 1007441063 /nfs/dbraw/zinc/44/10/63/1007441063.db2.gz ANZFJJCXNGEJQO-HDICACEKSA-N 2 2 417.525 3.571 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085044 1007445591 /nfs/dbraw/zinc/44/55/91/1007445591.db2.gz YADBTEKDVAGOPK-LADGPHEKSA-N 2 2 417.557 3.665 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085044 1007445599 /nfs/dbraw/zinc/44/55/99/1007445599.db2.gz YADBTEKDVAGOPK-LADGPHEKSA-N 2 2 417.557 3.665 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000539150383 1007446497 /nfs/dbraw/zinc/44/64/97/1007446497.db2.gz ZSHRDBBADBKZQV-ROUUACIJSA-N 2 2 407.624 3.891 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000533089404 1007448693 /nfs/dbraw/zinc/44/86/93/1007448693.db2.gz AEHMHBYJLIVJTD-FPOVZHCZSA-N 2 2 414.509 3.959 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170091 1007510001 /nfs/dbraw/zinc/51/00/01/1007510001.db2.gz RNCOTPGQZPDMIM-OTWHNJEPSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170091 1007510008 /nfs/dbraw/zinc/51/00/08/1007510008.db2.gz RNCOTPGQZPDMIM-OTWHNJEPSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226229 1007510634 /nfs/dbraw/zinc/51/06/34/1007510634.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226229 1007510649 /nfs/dbraw/zinc/51/06/49/1007510649.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226229 1007510656 /nfs/dbraw/zinc/51/06/56/1007510656.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226229 1007510663 /nfs/dbraw/zinc/51/06/63/1007510663.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177926 1007520151 /nfs/dbraw/zinc/52/01/51/1007520151.db2.gz MVWSEHCDBMIQEM-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177926 1007520162 /nfs/dbraw/zinc/52/01/62/1007520162.db2.gz MVWSEHCDBMIQEM-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000535506007 1007561229 /nfs/dbraw/zinc/56/12/29/1007561229.db2.gz ACIAHSIEAXZAJO-PZJWPPBQSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000535506007 1007561248 /nfs/dbraw/zinc/56/12/48/1007561248.db2.gz ACIAHSIEAXZAJO-PZJWPPBQSA-N 2 2 419.338 3.802 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417120 1007724958 /nfs/dbraw/zinc/72/49/58/1007724958.db2.gz SDLHKQIQNYVPAR-SQJMNOBHSA-N 2 2 416.569 3.804 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417120 1007724966 /nfs/dbraw/zinc/72/49/66/1007724966.db2.gz SDLHKQIQNYVPAR-SQJMNOBHSA-N 2 2 416.569 3.804 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454383 1007766083 /nfs/dbraw/zinc/76/60/83/1007766083.db2.gz XAQSMMLOMIETBY-SFTDATJTSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454383 1007766087 /nfs/dbraw/zinc/76/60/87/1007766087.db2.gz XAQSMMLOMIETBY-SFTDATJTSA-N 2 2 406.546 3.635 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539456212 1007767765 /nfs/dbraw/zinc/76/77/65/1007767765.db2.gz JXTNWERUFMSVDU-FGZHOGPDSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539456212 1007767774 /nfs/dbraw/zinc/76/77/74/1007767774.db2.gz JXTNWERUFMSVDU-FGZHOGPDSA-N 2 2 414.594 3.813 20 0 HHADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793359 1007799296 /nfs/dbraw/zinc/79/92/96/1007799296.db2.gz WPPIFELPYCQFLN-RPWUZVMVSA-N 2 2 424.589 3.817 20 0 HHADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793359 1007799305 /nfs/dbraw/zinc/79/93/05/1007799305.db2.gz WPPIFELPYCQFLN-RPWUZVMVSA-N 2 2 424.589 3.817 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3cccs3)c3ccc(Cl)cc3)cn2)CC1 ZINC000539491652 1007803183 /nfs/dbraw/zinc/80/31/83/1007803183.db2.gz WVMWSVMMFSNMMP-HXUWFJFHSA-N 2 2 413.978 3.823 20 0 HHADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808695 1007820120 /nfs/dbraw/zinc/82/01/20/1007820120.db2.gz RPHHHHKMRLUOHS-UGKGYDQZSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808695 1007820131 /nfs/dbraw/zinc/82/01/31/1007820131.db2.gz RPHHHHKMRLUOHS-UGKGYDQZSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808695 1007820142 /nfs/dbraw/zinc/82/01/42/1007820142.db2.gz RPHHHHKMRLUOHS-UGKGYDQZSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808695 1007820152 /nfs/dbraw/zinc/82/01/52/1007820152.db2.gz RPHHHHKMRLUOHS-UGKGYDQZSA-N 2 2 422.573 3.697 20 0 HHADLP CN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849418 1007862471 /nfs/dbraw/zinc/86/24/71/1007862471.db2.gz ARFMNFQURPUMLA-NIJXNBFTSA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849418 1007862479 /nfs/dbraw/zinc/86/24/79/1007862479.db2.gz ARFMNFQURPUMLA-NIJXNBFTSA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)C[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849416 1007862640 /nfs/dbraw/zinc/86/26/40/1007862640.db2.gz ARFMNFQURPUMLA-AMDXRBSFSA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)C[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849416 1007862646 /nfs/dbraw/zinc/86/26/46/1007862646.db2.gz ARFMNFQURPUMLA-AMDXRBSFSA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849879 1007862679 /nfs/dbraw/zinc/86/26/79/1007862679.db2.gz WMDUCUCSROWGLQ-NJDAHSKKSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849879 1007862683 /nfs/dbraw/zinc/86/26/83/1007862683.db2.gz WMDUCUCSROWGLQ-NJDAHSKKSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849937 1007863602 /nfs/dbraw/zinc/86/36/02/1007863602.db2.gz ZMJGZACYGPAVKU-ZEQRLZLVSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849937 1007863607 /nfs/dbraw/zinc/86/36/07/1007863607.db2.gz ZMJGZACYGPAVKU-ZEQRLZLVSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851501 1007866240 /nfs/dbraw/zinc/86/62/40/1007866240.db2.gz CRCSQOHUIIWVDQ-OALUTQOASA-N 2 2 405.608 3.507 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851501 1007866246 /nfs/dbraw/zinc/86/62/46/1007866246.db2.gz CRCSQOHUIIWVDQ-OALUTQOASA-N 2 2 405.608 3.507 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000533550144 1007869344 /nfs/dbraw/zinc/86/93/44/1007869344.db2.gz UMSIVVTVEPDUFJ-VQTJNVASSA-N 2 2 414.509 3.959 20 0 HHADLP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517664532 1007877794 /nfs/dbraw/zinc/87/77/94/1007877794.db2.gz YSNFEMZIZXCYPE-HXUWFJFHSA-N 2 2 406.574 3.510 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878720 1007897037 /nfs/dbraw/zinc/89/70/37/1007897037.db2.gz ZNZDJXPTULEVBT-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878720 1007897052 /nfs/dbraw/zinc/89/70/52/1007897052.db2.gz ZNZDJXPTULEVBT-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878699 1007897442 /nfs/dbraw/zinc/89/74/42/1007897442.db2.gz YYVVOMAAPABTNL-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878699 1007897453 /nfs/dbraw/zinc/89/74/53/1007897453.db2.gz YYVVOMAAPABTNL-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878785 1007898293 /nfs/dbraw/zinc/89/82/93/1007898293.db2.gz XIVNIJQVOVNASP-ZEQRLZLVSA-N 2 2 414.638 3.770 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878785 1007898313 /nfs/dbraw/zinc/89/83/13/1007898313.db2.gz XIVNIJQVOVNASP-ZEQRLZLVSA-N 2 2 414.638 3.770 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639995 1007947132 /nfs/dbraw/zinc/94/71/32/1007947132.db2.gz GIGYPOLQPGBIEC-FCHUYYIVSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639995 1007947139 /nfs/dbraw/zinc/94/71/39/1007947139.db2.gz GIGYPOLQPGBIEC-FCHUYYIVSA-N 2 2 400.567 3.690 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646539 1007954571 /nfs/dbraw/zinc/95/45/71/1007954571.db2.gz BQNQMTHBFAXRMQ-DHIUTWEWSA-N 2 2 424.589 3.680 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646539 1007954581 /nfs/dbraw/zinc/95/45/81/1007954581.db2.gz BQNQMTHBFAXRMQ-DHIUTWEWSA-N 2 2 424.589 3.680 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647889 1007956516 /nfs/dbraw/zinc/95/65/16/1007956516.db2.gz FHHMWSHBGSPPLT-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647889 1007956527 /nfs/dbraw/zinc/95/65/27/1007956527.db2.gz FHHMWSHBGSPPLT-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649297 1007959444 /nfs/dbraw/zinc/95/94/44/1007959444.db2.gz RXWCGWDYCAPJRK-WQTXXOFMSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649297 1007959452 /nfs/dbraw/zinc/95/94/52/1007959452.db2.gz RXWCGWDYCAPJRK-WQTXXOFMSA-N 2 2 407.549 3.864 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650260 1007962936 /nfs/dbraw/zinc/96/29/36/1007962936.db2.gz VFJZHGLNPVIUCJ-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533650260 1007962941 /nfs/dbraw/zinc/96/29/41/1007962941.db2.gz VFJZHGLNPVIUCJ-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP Clc1ccc(-n2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nn2)c(Cl)c1 ZINC000535944964 1007977497 /nfs/dbraw/zinc/97/74/97/1007977497.db2.gz XFFIMTLNGPOCEG-UHFFFAOYSA-N 2 2 403.317 3.728 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669874 1007985862 /nfs/dbraw/zinc/98/58/62/1007985862.db2.gz FDHYDYCWKPIJSN-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669874 1007985867 /nfs/dbraw/zinc/98/58/67/1007985867.db2.gz FDHYDYCWKPIJSN-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669874 1007985874 /nfs/dbraw/zinc/98/58/74/1007985874.db2.gz FDHYDYCWKPIJSN-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669874 1007985881 /nfs/dbraw/zinc/98/58/81/1007985881.db2.gz FDHYDYCWKPIJSN-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539708081 1008025521 /nfs/dbraw/zinc/02/55/21/1008025521.db2.gz RPIXNNAGRBLHHP-LEWJYISDSA-N 2 2 403.636 3.747 20 0 HHADLP CSc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539708081 1008025529 /nfs/dbraw/zinc/02/55/29/1008025529.db2.gz RPIXNNAGRBLHHP-LEWJYISDSA-N 2 2 403.636 3.747 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000517917316 1008056069 /nfs/dbraw/zinc/05/60/69/1008056069.db2.gz CZEDFNSKLIYXQH-UHFFFAOYSA-N 2 2 401.580 3.547 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000518002862 1008096569 /nfs/dbraw/zinc/09/65/69/1008096569.db2.gz FWGNWIIYXPHWFU-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000518002862 1008096578 /nfs/dbraw/zinc/09/65/78/1008096578.db2.gz FWGNWIIYXPHWFU-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000518002862 1008096583 /nfs/dbraw/zinc/09/65/83/1008096583.db2.gz FWGNWIIYXPHWFU-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000518002862 1008096591 /nfs/dbraw/zinc/09/65/91/1008096591.db2.gz FWGNWIIYXPHWFU-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000518131057 1008174236 /nfs/dbraw/zinc/17/42/36/1008174236.db2.gz FKILAIBBSXUDCL-UHFFFAOYSA-N 2 2 412.622 3.818 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000540013396 1008237384 /nfs/dbraw/zinc/23/73/84/1008237384.db2.gz QBFRRAVQJKNVKT-UHFFFAOYSA-N 2 2 423.605 3.975 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1)CC1CC1 ZINC000540013396 1008237387 /nfs/dbraw/zinc/23/73/87/1008237387.db2.gz QBFRRAVQJKNVKT-UHFFFAOYSA-N 2 2 423.605 3.975 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000518287072 1008240634 /nfs/dbraw/zinc/24/06/34/1008240634.db2.gz CBLKAEPXAMEDKT-FQEVSTJZSA-N 2 2 415.969 3.851 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190473 1008329038 /nfs/dbraw/zinc/32/90/38/1008329038.db2.gz YQVOHOMZXLFZDZ-UZLBHIALSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190473 1008329040 /nfs/dbraw/zinc/32/90/40/1008329040.db2.gz YQVOHOMZXLFZDZ-UZLBHIALSA-N 2 2 404.352 3.723 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244090 1008350776 /nfs/dbraw/zinc/35/07/76/1008350776.db2.gz HQIBSHMCYUJRHJ-NJURLCNJSA-N 2 2 408.949 3.539 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244090 1008350779 /nfs/dbraw/zinc/35/07/79/1008350779.db2.gz HQIBSHMCYUJRHJ-NJURLCNJSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244090 1008350781 /nfs/dbraw/zinc/35/07/81/1008350781.db2.gz HQIBSHMCYUJRHJ-NJURLCNJSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244090 1008350783 /nfs/dbraw/zinc/35/07/83/1008350783.db2.gz HQIBSHMCYUJRHJ-NJURLCNJSA-N 2 2 408.949 3.539 20 0 HHADLP CC(C)CCc1nc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000540248487 1008352096 /nfs/dbraw/zinc/35/20/96/1008352096.db2.gz RBHVAQPSBTYOAA-RTBURBONSA-N 2 2 409.640 3.822 20 0 HHADLP Cc1cccc([C@@H]([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC000540435874 1008433094 /nfs/dbraw/zinc/43/30/94/1008433094.db2.gz ZMNQNCKQZDOCRS-RUZDIDTESA-N 2 2 423.601 3.820 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553847 1008478856 /nfs/dbraw/zinc/47/88/56/1008478856.db2.gz OPURMOMBOALFMD-FCHUYYIVSA-N 2 2 418.630 3.793 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553847 1008478857 /nfs/dbraw/zinc/47/88/57/1008478857.db2.gz OPURMOMBOALFMD-FCHUYYIVSA-N 2 2 418.630 3.793 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540559022 1008481410 /nfs/dbraw/zinc/48/14/10/1008481410.db2.gz UUTOYIFJGJBSER-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540559022 1008481412 /nfs/dbraw/zinc/48/14/12/1008481412.db2.gz UUTOYIFJGJBSER-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000540560662 1008482102 /nfs/dbraw/zinc/48/21/02/1008482102.db2.gz YBMZOWHPPFZFJF-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000540560662 1008482103 /nfs/dbraw/zinc/48/21/03/1008482103.db2.gz YBMZOWHPPFZFJF-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000540560662 1008482106 /nfs/dbraw/zinc/48/21/06/1008482106.db2.gz YBMZOWHPPFZFJF-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000540560662 1008482109 /nfs/dbraw/zinc/48/21/09/1008482109.db2.gz YBMZOWHPPFZFJF-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000519073050 1008519184 /nfs/dbraw/zinc/51/91/84/1008519184.db2.gz GYOTXXZCZCJVHG-JOCHJYFZSA-N 2 2 423.601 3.713 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000519196656 1008598879 /nfs/dbraw/zinc/59/88/79/1008598879.db2.gz MVAYZGPMOIVIKP-LJQANCHMSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000519196656 1008598883 /nfs/dbraw/zinc/59/88/83/1008598883.db2.gz MVAYZGPMOIVIKP-LJQANCHMSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543043765 1008626371 /nfs/dbraw/zinc/62/63/71/1008626371.db2.gz KGSQZPAMHZJAJB-CTNGQTDRSA-N 2 2 401.599 3.738 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543043765 1008626375 /nfs/dbraw/zinc/62/63/75/1008626375.db2.gz KGSQZPAMHZJAJB-CTNGQTDRSA-N 2 2 401.599 3.738 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108535 1008681844 /nfs/dbraw/zinc/68/18/44/1008681844.db2.gz ITKXCTMPXHIMBE-NHCUHLMSSA-N 2 2 405.558 3.634 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108535 1008681849 /nfs/dbraw/zinc/68/18/49/1008681849.db2.gz ITKXCTMPXHIMBE-NHCUHLMSSA-N 2 2 405.558 3.634 20 0 HHADLP Cc1cc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccnc2)ccc1F ZINC000543406556 1009000740 /nfs/dbraw/zinc/00/07/40/1009000740.db2.gz KCARMGNRGFMUQG-XMMPIXPASA-N 2 2 405.521 3.555 20 0 HHADLP CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000543487882 1009077604 /nfs/dbraw/zinc/07/76/04/1009077604.db2.gz VRRDOOHNAQGKNR-HXUWFJFHSA-N 2 2 401.576 3.896 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000543537633 1009128488 /nfs/dbraw/zinc/12/84/88/1009128488.db2.gz CXRURXKYIRYRON-HSZRJFAPSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000543537633 1009128496 /nfs/dbraw/zinc/12/84/96/1009128496.db2.gz CXRURXKYIRYRON-HSZRJFAPSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558360 1009176327 /nfs/dbraw/zinc/17/63/27/1009176327.db2.gz CHOIJDKBSRPGAS-KMDXXIMOSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558360 1009176339 /nfs/dbraw/zinc/17/63/39/1009176339.db2.gz CHOIJDKBSRPGAS-KMDXXIMOSA-N 2 2 412.622 3.961 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000520073711 1009235049 /nfs/dbraw/zinc/23/50/49/1009235049.db2.gz HQJGIGOSHYCLNE-DEOSSOPVSA-N 2 2 417.557 3.785 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000520073711 1009235065 /nfs/dbraw/zinc/23/50/65/1009235065.db2.gz HQJGIGOSHYCLNE-DEOSSOPVSA-N 2 2 417.557 3.785 20 0 HHADLP Cn1ccc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000543635564 1009239872 /nfs/dbraw/zinc/23/98/72/1009239872.db2.gz IETBGCYZRXURPK-DENIHFKCSA-N 2 2 410.953 3.810 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)cc3)c2)cc[nH+]1 ZINC000549617560 1009245418 /nfs/dbraw/zinc/24/54/18/1009245418.db2.gz UZYKXLUMGGLEAF-NRFANRHFSA-N 2 2 423.948 4.083 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881425 1009455633 /nfs/dbraw/zinc/45/56/33/1009455633.db2.gz JEZBWWIUWPOXBC-MFMILTCTSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881425 1009455644 /nfs/dbraw/zinc/45/56/44/1009455644.db2.gz JEZBWWIUWPOXBC-MFMILTCTSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881425 1009455651 /nfs/dbraw/zinc/45/56/51/1009455651.db2.gz JEZBWWIUWPOXBC-MFMILTCTSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881425 1009455658 /nfs/dbraw/zinc/45/56/58/1009455658.db2.gz JEZBWWIUWPOXBC-MFMILTCTSA-N 2 2 424.511 3.555 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544037661 1009638960 /nfs/dbraw/zinc/63/89/60/1009638960.db2.gz RLXKZSMKPPQFPS-LOSJGSFVSA-N 2 2 422.617 3.815 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544037661 1009638966 /nfs/dbraw/zinc/63/89/66/1009638966.db2.gz RLXKZSMKPPQFPS-LOSJGSFVSA-N 2 2 422.617 3.815 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000520583785 1009663566 /nfs/dbraw/zinc/66/35/66/1009663566.db2.gz FFMWSCVZNYGTND-QFIPXVFZSA-N 2 2 404.574 3.724 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000520583785 1009663575 /nfs/dbraw/zinc/66/35/75/1009663575.db2.gz FFMWSCVZNYGTND-QFIPXVFZSA-N 2 2 404.574 3.724 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000546788472 1009754613 /nfs/dbraw/zinc/75/46/13/1009754613.db2.gz OVUDQGRZLSDQIP-UHFFFAOYSA-N 2 2 402.542 3.969 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000546788472 1009754628 /nfs/dbraw/zinc/75/46/28/1009754628.db2.gz OVUDQGRZLSDQIP-UHFFFAOYSA-N 2 2 402.542 3.969 20 0 HHADLP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c2cccs2)CC1 ZINC000544361252 1009988371 /nfs/dbraw/zinc/98/83/71/1009988371.db2.gz VQYMRDSKUNUXNO-JTHBVZDNSA-N 2 2 410.562 3.950 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c2cccs2)CC1 ZINC000544361247 1009988944 /nfs/dbraw/zinc/98/89/44/1009988944.db2.gz VQYMRDSKUNUXNO-FYYLOGMGSA-N 2 2 410.562 3.950 20 0 HHADLP Fc1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccn2)cc1 ZINC000544366200 1009994378 /nfs/dbraw/zinc/99/43/78/1009994378.db2.gz XISRCGRCGWQUPF-VWLOTQADSA-N 2 2 404.533 3.718 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)c2)cc[nH+]1 ZINC000544521774 1010150851 /nfs/dbraw/zinc/15/08/51/1010150851.db2.gz DVSUVGWZNDOUPG-OAQYLSRUSA-N 2 2 407.493 3.569 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000544624512 1010247964 /nfs/dbraw/zinc/24/79/64/1010247964.db2.gz HPSQHWHSOOJPPC-LJQANCHMSA-N 2 2 400.954 3.586 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000544624512 1010247971 /nfs/dbraw/zinc/24/79/71/1010247971.db2.gz HPSQHWHSOOJPPC-LJQANCHMSA-N 2 2 400.954 3.586 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000547326748 1010253642 /nfs/dbraw/zinc/25/36/42/1010253642.db2.gz NMBOOZAVVSCBKN-NHCUHLMSSA-N 3 2 415.622 3.672 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc(OC)cc3)CCCCC2)CC1 ZINC000547325929 1010253669 /nfs/dbraw/zinc/25/36/69/1010253669.db2.gz CPSUYUGMFSFHQO-UHFFFAOYSA-N 2 2 402.579 3.904 20 0 HHADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(C(C)(C)C)CC1 ZINC000521431005 1010372433 /nfs/dbraw/zinc/37/24/33/1010372433.db2.gz QDGSZEBCMRRBPO-UHFFFAOYSA-N 2 2 401.595 3.994 20 0 HHADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCC(C(C)(C)C)CC1 ZINC000521431005 1010372446 /nfs/dbraw/zinc/37/24/46/1010372446.db2.gz QDGSZEBCMRRBPO-UHFFFAOYSA-N 2 2 401.595 3.994 20 0 HHADLP c1cn(Cc2cccc(-c3noc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000544950090 1010514018 /nfs/dbraw/zinc/51/40/18/1010514018.db2.gz AKHXWUQNGIEYNI-OAQYLSRUSA-N 2 2 400.486 3.756 20 0 HHADLP c1cn(Cc2cccc(-c3noc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000544950090 1010514023 /nfs/dbraw/zinc/51/40/23/1010514023.db2.gz AKHXWUQNGIEYNI-OAQYLSRUSA-N 2 2 400.486 3.756 20 0 HHADLP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551393507 1010557890 /nfs/dbraw/zinc/55/78/90/1010557890.db2.gz JWVQLRVATMCAMQ-XMMPIXPASA-N 2 2 415.622 3.638 20 0 HHADLP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551393507 1010557900 /nfs/dbraw/zinc/55/79/00/1010557900.db2.gz JWVQLRVATMCAMQ-XMMPIXPASA-N 2 2 415.622 3.638 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(Br)c2)CC1 ZINC000545205521 1010682964 /nfs/dbraw/zinc/68/29/64/1010682964.db2.gz GQUIQPXVIYMNCZ-UHFFFAOYSA-N 2 2 411.384 3.734 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062153 1010784901 /nfs/dbraw/zinc/78/49/01/1010784901.db2.gz GLZOFADVHUIGOY-MOPGFXCFSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062153 1010784907 /nfs/dbraw/zinc/78/49/07/1010784907.db2.gz GLZOFADVHUIGOY-MOPGFXCFSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522062153 1010784914 /nfs/dbraw/zinc/78/49/14/1010784914.db2.gz GLZOFADVHUIGOY-MOPGFXCFSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522062153 1010784917 /nfs/dbraw/zinc/78/49/17/1010784917.db2.gz GLZOFADVHUIGOY-MOPGFXCFSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062161 1010784950 /nfs/dbraw/zinc/78/49/50/1010784950.db2.gz GLZOFADVHUIGOY-RTBURBONSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062161 1010784953 /nfs/dbraw/zinc/78/49/53/1010784953.db2.gz GLZOFADVHUIGOY-RTBURBONSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522062161 1010784959 /nfs/dbraw/zinc/78/49/59/1010784959.db2.gz GLZOFADVHUIGOY-RTBURBONSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522062161 1010784963 /nfs/dbraw/zinc/78/49/63/1010784963.db2.gz GLZOFADVHUIGOY-RTBURBONSA-N 2 2 422.564 3.883 20 0 HHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522102476 1010813224 /nfs/dbraw/zinc/81/32/24/1010813224.db2.gz JSYUNHFXFFCYCZ-QGZVFWFLSA-N 2 2 401.530 3.711 20 0 HHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522102476 1010813228 /nfs/dbraw/zinc/81/32/28/1010813228.db2.gz JSYUNHFXFFCYCZ-QGZVFWFLSA-N 2 2 401.530 3.711 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)CC1 ZINC000522114706 1010819579 /nfs/dbraw/zinc/81/95/79/1010819579.db2.gz QKXQUORXJGBRRQ-LJQANCHMSA-N 2 2 423.026 3.735 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000522404503 1010985649 /nfs/dbraw/zinc/98/56/49/1010985649.db2.gz SLBRKYBHODSJOR-QHCPKHFHSA-N 2 2 403.530 3.817 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000522404502 1010985742 /nfs/dbraw/zinc/98/57/42/1010985742.db2.gz SLBRKYBHODSJOR-HSZRJFAPSA-N 2 2 403.530 3.817 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000522607717 1011108788 /nfs/dbraw/zinc/10/87/88/1011108788.db2.gz ZSNDPQOTUZIUQN-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000522607717 1011108792 /nfs/dbraw/zinc/10/87/92/1011108792.db2.gz ZSNDPQOTUZIUQN-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000522626725 1011121888 /nfs/dbraw/zinc/12/18/88/1011121888.db2.gz SGRHGBMRZNYYFJ-UEXGIBASSA-N 2 2 404.599 3.784 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000522626725 1011121894 /nfs/dbraw/zinc/12/18/94/1011121894.db2.gz SGRHGBMRZNYYFJ-UEXGIBASSA-N 2 2 404.599 3.784 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000522730579 1011182127 /nfs/dbraw/zinc/18/21/27/1011182127.db2.gz YXGYHOOBFKDKIZ-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000536212376 1011359691 /nfs/dbraw/zinc/35/96/91/1011359691.db2.gz AUOJHJAQHSSJJY-OAHLLOKOSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536212376 1011359702 /nfs/dbraw/zinc/35/97/02/1011359702.db2.gz AUOJHJAQHSSJJY-OAHLLOKOSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540789095 1011450075 /nfs/dbraw/zinc/45/00/75/1011450075.db2.gz QTRPOUUINIIDMX-LJQANCHMSA-N 3 2 411.594 3.726 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)cc1 ZINC000536299740 1011488406 /nfs/dbraw/zinc/48/84/06/1011488406.db2.gz TYUMEBBHYFQKRA-AZUAARDMSA-N 2 2 401.942 3.672 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)cc1 ZINC000536299740 1011488415 /nfs/dbraw/zinc/48/84/15/1011488415.db2.gz TYUMEBBHYFQKRA-AZUAARDMSA-N 2 2 401.942 3.672 20 0 HHADLP C[NH+]1CCN(c2cc[nH+]cc2NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000540984605 1011617505 /nfs/dbraw/zinc/61/75/05/1011617505.db2.gz ORLOSZOJQZGHLM-UHFFFAOYSA-N 3 2 417.960 3.702 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1F ZINC000536486005 1011698179 /nfs/dbraw/zinc/69/81/79/1011698179.db2.gz PIAGLZHVJJYDIE-UHFFFAOYSA-N 2 2 416.566 3.758 20 0 HHADLP Cc1ccc(C2CC[NH+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2)cn1 ZINC000541204550 1011874750 /nfs/dbraw/zinc/87/47/50/1011874750.db2.gz PJXXHIOPTXIDJV-UHFFFAOYSA-N 2 2 424.614 3.757 20 0 HHADLP Clc1ccc(C[C@]2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734197 1011894372 /nfs/dbraw/zinc/89/43/72/1011894372.db2.gz RLHYXSPQKCSPDU-BJKOFHAPSA-N 2 2 414.977 3.922 20 0 HHADLP Clc1ccc(C[C@]2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734197 1011894388 /nfs/dbraw/zinc/89/43/88/1011894388.db2.gz RLHYXSPQKCSPDU-BJKOFHAPSA-N 2 2 414.977 3.922 20 0 HHADLP C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000541248399 1011929413 /nfs/dbraw/zinc/92/94/13/1011929413.db2.gz CZMNVRZJHBIBIG-GGAORHGYSA-N 2 2 412.622 3.914 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c(C)c1 ZINC000536840403 1012071267 /nfs/dbraw/zinc/07/12/67/1012071267.db2.gz QONPUQNPOGKCEC-GCJKJVERSA-N 2 2 412.559 3.964 20 0 HHADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000536861348 1012095533 /nfs/dbraw/zinc/09/55/33/1012095533.db2.gz CRZLZKZQNZIQKK-GOTSBHOMSA-N 2 2 423.605 3.673 20 0 HHADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000541383551 1012103117 /nfs/dbraw/zinc/10/31/17/1012103117.db2.gz KRSKMUQSFUIXON-LJQANCHMSA-N 2 2 422.598 3.676 20 0 HHADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000541383551 1012103129 /nfs/dbraw/zinc/10/31/29/1012103129.db2.gz KRSKMUQSFUIXON-LJQANCHMSA-N 2 2 422.598 3.676 20 0 HHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000552098428 1012114613 /nfs/dbraw/zinc/11/46/13/1012114613.db2.gz CDCFUCORMDCJKQ-WWTUQBGBSA-N 2 2 415.912 3.676 20 0 HHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000552098428 1012114622 /nfs/dbraw/zinc/11/46/22/1012114622.db2.gz CDCFUCORMDCJKQ-WWTUQBGBSA-N 2 2 415.912 3.676 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880454 1012127084 /nfs/dbraw/zinc/12/70/84/1012127084.db2.gz CANJXRIGISOVLV-UWJYYQICSA-N 2 2 400.954 3.954 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880454 1012127093 /nfs/dbraw/zinc/12/70/93/1012127093.db2.gz CANJXRIGISOVLV-UWJYYQICSA-N 2 2 400.954 3.954 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000523592021 1012148700 /nfs/dbraw/zinc/14/87/00/1012148700.db2.gz MNIGZIQATIAKHU-WOJBJXKFSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000523592021 1012148707 /nfs/dbraw/zinc/14/87/07/1012148707.db2.gz MNIGZIQATIAKHU-WOJBJXKFSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@@H](Cc1ccccc1)n1cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536894561 1012149268 /nfs/dbraw/zinc/14/92/68/1012149268.db2.gz WUGWEXUYBNRZGA-FQEVSTJZSA-N 2 2 408.590 3.580 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@@H](C)O1 ZINC000536934863 1012224595 /nfs/dbraw/zinc/22/45/95/1012224595.db2.gz CKXFHWQTEMZDPC-QZTJIDSGSA-N 2 2 417.525 3.571 20 0 HHADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536936392 1012227828 /nfs/dbraw/zinc/22/78/28/1012227828.db2.gz SBPUPSGHIGQIAJ-IRXDYDNUSA-N 2 2 419.591 3.802 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541475331 1012244719 /nfs/dbraw/zinc/24/47/19/1012244719.db2.gz UYADOFXFPMRJSE-WOJBJXKFSA-N 2 2 409.578 3.943 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000541534897 1012317679 /nfs/dbraw/zinc/31/76/79/1012317679.db2.gz FNZBPJJKQRBNDG-UHFFFAOYSA-N 2 2 402.401 3.538 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000541534897 1012317692 /nfs/dbraw/zinc/31/76/92/1012317692.db2.gz FNZBPJJKQRBNDG-UHFFFAOYSA-N 2 2 402.401 3.538 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541552234 1012339849 /nfs/dbraw/zinc/33/98/49/1012339849.db2.gz YIZHUZOLORIVOQ-RUZDIDTESA-N 2 2 404.558 3.657 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552338769 1012350912 /nfs/dbraw/zinc/35/09/12/1012350912.db2.gz PBKHBRQNBIXERU-DLZDZTESSA-N 2 2 405.970 3.535 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552338769 1012350930 /nfs/dbraw/zinc/35/09/30/1012350930.db2.gz PBKHBRQNBIXERU-DLZDZTESSA-N 2 2 405.970 3.535 20 0 HHADLP CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000537101726 1012466446 /nfs/dbraw/zinc/46/64/46/1012466446.db2.gz YZYSAPNYNBLHCG-SFHVURJKSA-N 2 2 413.587 3.920 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)c1ccccc1O2 ZINC000537166897 1012569021 /nfs/dbraw/zinc/56/90/21/1012569021.db2.gz ICOKJPANCRDXBA-XMMPIXPASA-N 3 2 421.585 3.597 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537250312 1012695900 /nfs/dbraw/zinc/69/59/00/1012695900.db2.gz BZFQQTQABPACHW-GOTSBHOMSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537250312 1012695913 /nfs/dbraw/zinc/69/59/13/1012695913.db2.gz BZFQQTQABPACHW-GOTSBHOMSA-N 2 2 411.594 3.979 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752066 /nfs/dbraw/zinc/75/20/66/1012752066.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 3 2 424.658 3.537 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752077 /nfs/dbraw/zinc/75/20/77/1012752077.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 3 2 424.658 3.537 20 0 HHADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000541985021 1012860776 /nfs/dbraw/zinc/86/07/76/1012860776.db2.gz VNDDSJDVJPGZHA-WOJBJXKFSA-N 2 2 422.635 3.580 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553051078 1013025039 /nfs/dbraw/zinc/02/50/39/1013025039.db2.gz GPPVZLWITSANOR-INIZCTEOSA-N 2 2 409.361 3.733 20 0 HHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542109702 1013042101 /nfs/dbraw/zinc/04/21/01/1013042101.db2.gz XAJBQSZVAMYRCW-FQEVSTJZSA-N 2 2 415.607 3.984 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542110127 1013043491 /nfs/dbraw/zinc/04/34/91/1013043491.db2.gz HOSRGHHEHAAWJI-QHCPKHFHSA-N 2 2 409.578 3.922 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684189 1071803899 /nfs/dbraw/zinc/80/38/99/1071803899.db2.gz KSQRQOUYBBWRKL-XZOQPEGZSA-N 2 2 406.505 3.631 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684189 1071803910 /nfs/dbraw/zinc/80/39/10/1071803910.db2.gz KSQRQOUYBBWRKL-XZOQPEGZSA-N 2 2 406.505 3.631 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729684220 1071804229 /nfs/dbraw/zinc/80/42/29/1071804229.db2.gz MASRYYRXUSIAKH-XZOQPEGZSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729684220 1071804242 /nfs/dbraw/zinc/80/42/42/1071804242.db2.gz MASRYYRXUSIAKH-XZOQPEGZSA-N 2 2 402.542 3.801 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000586876891 1072501613 /nfs/dbraw/zinc/50/16/13/1072501613.db2.gz JZCULIIXIRYOAD-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000586876891 1072501617 /nfs/dbraw/zinc/50/16/17/1072501617.db2.gz JZCULIIXIRYOAD-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+](Cc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000586876891 1072501622 /nfs/dbraw/zinc/50/16/22/1072501622.db2.gz JZCULIIXIRYOAD-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+](Cc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000586876891 1072501625 /nfs/dbraw/zinc/50/16/25/1072501625.db2.gz JZCULIIXIRYOAD-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP Cn1c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc2cccc(Cl)c21 ZINC000479402311 1072794577 /nfs/dbraw/zinc/79/45/77/1072794577.db2.gz NKMSRQZOQIQNKV-UHFFFAOYSA-N 2 2 418.372 3.922 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588271196 1072981914 /nfs/dbraw/zinc/98/19/14/1072981914.db2.gz ZYFDGBPTIIQASM-UHFFFAOYSA-N 2 2 401.942 3.617 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709818 1073155397 /nfs/dbraw/zinc/15/53/97/1073155397.db2.gz DTPAEMDXFTVWEY-OWCLPIDISA-N 2 2 411.949 3.627 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709818 1073155400 /nfs/dbraw/zinc/15/54/00/1073155400.db2.gz DTPAEMDXFTVWEY-OWCLPIDISA-N 2 2 411.949 3.627 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377562 1073387137 /nfs/dbraw/zinc/38/71/37/1073387137.db2.gz QRLBAZKHLCSZOK-IZIIKQMZSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377562 1073387142 /nfs/dbraw/zinc/38/71/42/1073387142.db2.gz QRLBAZKHLCSZOK-IZIIKQMZSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000555377562 1073387149 /nfs/dbraw/zinc/38/71/49/1073387149.db2.gz QRLBAZKHLCSZOK-IZIIKQMZSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000555377562 1073387155 /nfs/dbraw/zinc/38/71/55/1073387155.db2.gz QRLBAZKHLCSZOK-IZIIKQMZSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000555627370 1073681853 /nfs/dbraw/zinc/68/18/53/1073681853.db2.gz MUABHKVCGGIZCB-IIBYNOLFSA-N 2 2 403.364 3.561 20 0 HHADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000555627370 1073681855 /nfs/dbraw/zinc/68/18/55/1073681855.db2.gz MUABHKVCGGIZCB-IIBYNOLFSA-N 2 2 403.364 3.561 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000590846087 1074015439 /nfs/dbraw/zinc/01/54/39/1074015439.db2.gz GWEHWYKEPPQPDF-RTBURBONSA-N 2 2 401.580 3.764 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852549 1074018147 /nfs/dbraw/zinc/01/81/47/1074018147.db2.gz GFMJLHPWENDKFE-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP Cc1cccc(C2(CNC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000591565344 1074412969 /nfs/dbraw/zinc/41/29/69/1074412969.db2.gz NSUNFLVKYVCBSJ-UHFFFAOYSA-N 2 2 414.638 3.864 20 0 HHADLP Cc1cccc(C2(CNC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000591565344 1074412974 /nfs/dbraw/zinc/41/29/74/1074412974.db2.gz NSUNFLVKYVCBSJ-UHFFFAOYSA-N 2 2 414.638 3.864 20 0 HHADLP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000591586015 1074428343 /nfs/dbraw/zinc/42/83/43/1074428343.db2.gz BSTSIOMTZADOTL-HNNXBMFYSA-N 2 2 415.409 3.764 20 0 HHADLP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000591586015 1074428350 /nfs/dbraw/zinc/42/83/50/1074428350.db2.gz BSTSIOMTZADOTL-HNNXBMFYSA-N 2 2 415.409 3.764 20 0 HHADLP CC(C)Sc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000591599335 1074435663 /nfs/dbraw/zinc/43/56/63/1074435663.db2.gz XYGYLEMJZJZDRE-GOSISDBHSA-N 2 2 406.640 3.916 20 0 HHADLP CC(C)Sc1ccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000591599335 1074435667 /nfs/dbraw/zinc/43/56/67/1074435667.db2.gz XYGYLEMJZJZDRE-GOSISDBHSA-N 2 2 406.640 3.916 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(Br)c1OC(F)F ZINC000573966088 1074745678 /nfs/dbraw/zinc/74/56/78/1074745678.db2.gz NODYFAATTHVHAF-LLVKDONJSA-N 2 2 416.266 3.819 20 0 HHADLP O=C(C[N@@H+]1CCCc2sccc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000592983302 1075153658 /nfs/dbraw/zinc/15/36/58/1075153658.db2.gz WOMRGZLHVNQCBO-UHFFFAOYSA-N 2 2 401.601 3.684 20 0 HHADLP O=C(C[N@H+]1CCCc2sccc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000592983302 1075153660 /nfs/dbraw/zinc/15/36/60/1075153660.db2.gz WOMRGZLHVNQCBO-UHFFFAOYSA-N 2 2 401.601 3.684 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000594053195 1075249530 /nfs/dbraw/zinc/24/95/30/1075249530.db2.gz AOABXUCJWKBGDP-HXUWFJFHSA-N 2 2 421.463 3.927 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000594053195 1075249535 /nfs/dbraw/zinc/24/95/35/1075249535.db2.gz AOABXUCJWKBGDP-HXUWFJFHSA-N 2 2 421.463 3.927 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574963060 1075433761 /nfs/dbraw/zinc/43/37/61/1075433761.db2.gz YZXLFBSOGAOVOS-URXFXBBRSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574963060 1075433763 /nfs/dbraw/zinc/43/37/63/1075433763.db2.gz YZXLFBSOGAOVOS-URXFXBBRSA-N 2 2 420.601 3.673 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474072 1075618695 /nfs/dbraw/zinc/61/86/95/1075618695.db2.gz LMTRTYDUVMGSBZ-DENIHFKCSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474072 1075618698 /nfs/dbraw/zinc/61/86/98/1075618698.db2.gz LMTRTYDUVMGSBZ-DENIHFKCSA-N 2 2 401.595 3.513 20 0 HHADLP CN(C(=O)CCCCc1nc2ccccc2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477204 1075619642 /nfs/dbraw/zinc/61/96/42/1075619642.db2.gz GFDVRBGGGLVMKT-LJQANCHMSA-N 2 2 414.619 3.636 20 0 HHADLP CN(C(=O)CCCCc1nc2ccccc2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477204 1075619645 /nfs/dbraw/zinc/61/96/45/1075619645.db2.gz GFDVRBGGGLVMKT-LJQANCHMSA-N 2 2 414.619 3.636 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001164827778 720310178 /nfs/dbraw/zinc/31/01/78/720310178.db2.gz XXKSGNRJZNUZFN-SFTDATJTSA-N 2 2 412.965 3.800 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1N1CCCC1 ZINC001164840953 720654248 /nfs/dbraw/zinc/65/42/48/720654248.db2.gz OHDANMCPTNANAP-QFIPXVFZSA-N 2 2 421.589 3.645 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1N1CCCC1 ZINC001164840953 720654256 /nfs/dbraw/zinc/65/42/56/720654256.db2.gz OHDANMCPTNANAP-QFIPXVFZSA-N 2 2 421.589 3.645 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164738350 720827486 /nfs/dbraw/zinc/82/74/86/720827486.db2.gz DXAYFZRLLAWALH-FUPPJEDESA-N 2 2 402.546 3.514 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164738350 720827487 /nfs/dbraw/zinc/82/74/87/720827487.db2.gz DXAYFZRLLAWALH-FUPPJEDESA-N 2 2 402.546 3.514 20 0 HHADLP c1csc(C[N@@H+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)n1 ZINC001164783353 721413932 /nfs/dbraw/zinc/41/39/32/721413932.db2.gz HZYYMXZCUJDVHK-KDURUIRLSA-N 2 2 416.554 3.504 20 0 HHADLP c1csc(C[N@H+]2C[C@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)n1 ZINC001164783353 721413935 /nfs/dbraw/zinc/41/39/35/721413935.db2.gz HZYYMXZCUJDVHK-KDURUIRLSA-N 2 2 416.554 3.504 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164907354 721537068 /nfs/dbraw/zinc/53/70/68/721537068.db2.gz NCHJBJVZPFMPKX-ICSRJNTNSA-N 2 2 423.488 3.733 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164907354 721537072 /nfs/dbraw/zinc/53/70/72/721537072.db2.gz NCHJBJVZPFMPKX-ICSRJNTNSA-N 2 2 423.488 3.733 20 0 HHADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918157 721821155 /nfs/dbraw/zinc/82/11/55/721821155.db2.gz CAWJVXOKSNIBQS-QFIPXVFZSA-N 2 2 422.621 3.965 20 0 HHADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918157 721821156 /nfs/dbraw/zinc/82/11/56/721821156.db2.gz CAWJVXOKSNIBQS-QFIPXVFZSA-N 2 2 422.621 3.965 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c12 ZINC001164980624 722102771 /nfs/dbraw/zinc/10/27/71/722102771.db2.gz JTEINPNHRHNBEI-GGAORHGYSA-N 2 2 402.542 3.974 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c12 ZINC001164980624 722102773 /nfs/dbraw/zinc/10/27/73/722102773.db2.gz JTEINPNHRHNBEI-GGAORHGYSA-N 2 2 402.542 3.974 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3cccc(C[NH+]4CCCCCC4)c3)[nH+]cn2)C1 ZINC000301224248 970817246 /nfs/dbraw/zinc/81/72/46/970817246.db2.gz CKXILBUUFPONEK-JOCHJYFZSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3cccc(C[NH+]4CCCCCC4)c3)nc[nH+]2)C1 ZINC000301224248 970817255 /nfs/dbraw/zinc/81/72/55/970817255.db2.gz CKXILBUUFPONEK-JOCHJYFZSA-N 2 2 409.578 3.673 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301251824 970834016 /nfs/dbraw/zinc/83/40/16/970834016.db2.gz QACBTDIVEWDSLS-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301251824 970834021 /nfs/dbraw/zinc/83/40/21/970834021.db2.gz QACBTDIVEWDSLS-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301251824 970834029 /nfs/dbraw/zinc/83/40/29/970834029.db2.gz QACBTDIVEWDSLS-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301251824 970834039 /nfs/dbraw/zinc/83/40/39/970834039.db2.gz QACBTDIVEWDSLS-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP FC(F)(F)c1ccc2c(NCCC[NH+]3CCN(c4ncccn4)CC3)cc[nH+]c2c1 ZINC000301767196 971059832 /nfs/dbraw/zinc/05/98/32/971059832.db2.gz BRKGHIRLOLNLOT-UHFFFAOYSA-N 2 2 416.451 3.668 20 0 HHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000542132095 1013063169 /nfs/dbraw/zinc/06/31/69/1013063169.db2.gz JQQVSLRBNVFZEU-FQEVSTJZSA-N 2 2 404.917 3.973 20 0 HHADLP Cc1[nH+]c2ccccc2c(N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1C ZINC000302106961 971177755 /nfs/dbraw/zinc/17/77/55/971177755.db2.gz XVCZWHXZVVNUQA-LJQANCHMSA-N 2 2 418.545 3.559 20 0 HHADLP Cc1[nH+]c2ccccc2c(N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000302106961 971177760 /nfs/dbraw/zinc/17/77/60/971177760.db2.gz XVCZWHXZVVNUQA-LJQANCHMSA-N 2 2 418.545 3.559 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000524254115 1013064904 /nfs/dbraw/zinc/06/49/04/1013064904.db2.gz OIJZGFNOOQJYKE-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000524254115 1013064921 /nfs/dbraw/zinc/06/49/21/1013064921.db2.gz OIJZGFNOOQJYKE-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302773580 971313961 /nfs/dbraw/zinc/31/39/61/971313961.db2.gz DFPDLIIHHGZDGT-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302773580 971313964 /nfs/dbraw/zinc/31/39/64/971313964.db2.gz DFPDLIIHHGZDGT-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302773580 971313966 /nfs/dbraw/zinc/31/39/66/971313966.db2.gz DFPDLIIHHGZDGT-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302773580 971313970 /nfs/dbraw/zinc/31/39/70/971313970.db2.gz DFPDLIIHHGZDGT-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP CCOC1CC(CNc2cc[nH+]c3ccc(Br)cc23)([NH+]2CCOCC2)C1 ZINC000302809066 971328682 /nfs/dbraw/zinc/32/86/82/971328682.db2.gz GOUJQOZFQZPNPB-UHFFFAOYSA-N 2 2 420.351 3.679 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc[nH+]1 ZINC000302870107 971364119 /nfs/dbraw/zinc/36/41/19/971364119.db2.gz BAVKHVSCODYZJY-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@H]1CCCCN1c1cc(NCc2ccccc2C[NH+]2CCCCCC2)[nH+]cn1 ZINC000302870107 971364129 /nfs/dbraw/zinc/36/41/29/971364129.db2.gz BAVKHVSCODYZJY-JOCHJYFZSA-N 2 2 409.578 3.816 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000303252483 971581574 /nfs/dbraw/zinc/58/15/74/971581574.db2.gz BEQSIBHSNVBJGD-INIZCTEOSA-N 2 2 418.632 3.940 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000303252483 971581580 /nfs/dbraw/zinc/58/15/80/971581580.db2.gz BEQSIBHSNVBJGD-INIZCTEOSA-N 2 2 418.632 3.940 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000303269350 971588942 /nfs/dbraw/zinc/58/89/42/971588942.db2.gz QTXWRTNSLISRBX-GOSISDBHSA-N 2 2 411.015 3.544 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000303269350 971588945 /nfs/dbraw/zinc/58/89/45/971588945.db2.gz QTXWRTNSLISRBX-GOSISDBHSA-N 2 2 411.015 3.544 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)CC1 ZINC000303276007 971592505 /nfs/dbraw/zinc/59/25/05/971592505.db2.gz KWGUXZLSZQLYEL-UHFFFAOYSA-N 2 2 413.512 3.920 20 0 HHADLP C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303498608 971796712 /nfs/dbraw/zinc/79/67/12/971796712.db2.gz AFXHJZWYXRHFSC-VWLOTQADSA-N 2 2 407.558 3.511 20 0 HHADLP C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303498608 971796718 /nfs/dbraw/zinc/79/67/18/971796718.db2.gz AFXHJZWYXRHFSC-VWLOTQADSA-N 2 2 407.558 3.511 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178757 1013117486 /nfs/dbraw/zinc/11/74/86/1013117486.db2.gz JJSCUNAHTIYTGT-MOPGFXCFSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178757 1013117497 /nfs/dbraw/zinc/11/74/97/1013117497.db2.gz JJSCUNAHTIYTGT-MOPGFXCFSA-N 2 2 409.521 3.697 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180066 1013118981 /nfs/dbraw/zinc/11/89/81/1013118981.db2.gz SNZLVDVIEFXFMH-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180066 1013118988 /nfs/dbraw/zinc/11/89/88/1013118988.db2.gz SNZLVDVIEFXFMH-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000553203665 1013163322 /nfs/dbraw/zinc/16/33/22/1013163322.db2.gz OATUZZHLRYNBIZ-UHFFFAOYSA-N 2 2 418.545 3.964 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000553203665 1013163330 /nfs/dbraw/zinc/16/33/30/1013163330.db2.gz OATUZZHLRYNBIZ-UHFFFAOYSA-N 2 2 418.545 3.964 20 0 HHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553221628 1013188888 /nfs/dbraw/zinc/18/88/88/1013188888.db2.gz KKVFDKUEVJOSRN-PMOQBDJRSA-N 2 2 402.542 3.959 20 0 HHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553221628 1013188890 /nfs/dbraw/zinc/18/88/90/1013188890.db2.gz KKVFDKUEVJOSRN-PMOQBDJRSA-N 2 2 402.542 3.959 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698142 1013263065 /nfs/dbraw/zinc/26/30/65/1013263065.db2.gz RLKJMWFIFUDMPH-VWNXMTODSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698142 1013263073 /nfs/dbraw/zinc/26/30/73/1013263073.db2.gz RLKJMWFIFUDMPH-VWNXMTODSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698142 1013263085 /nfs/dbraw/zinc/26/30/85/1013263085.db2.gz RLKJMWFIFUDMPH-VWNXMTODSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698142 1013263096 /nfs/dbraw/zinc/26/30/96/1013263096.db2.gz RLKJMWFIFUDMPH-VWNXMTODSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698141 1013263238 /nfs/dbraw/zinc/26/32/38/1013263238.db2.gz RLKJMWFIFUDMPH-UPVQGACJSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698141 1013263249 /nfs/dbraw/zinc/26/32/49/1013263249.db2.gz RLKJMWFIFUDMPH-UPVQGACJSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698141 1013263252 /nfs/dbraw/zinc/26/32/52/1013263252.db2.gz RLKJMWFIFUDMPH-UPVQGACJSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@@H]21 ZINC000537698141 1013263262 /nfs/dbraw/zinc/26/32/62/1013263262.db2.gz RLKJMWFIFUDMPH-UPVQGACJSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698140 1013263674 /nfs/dbraw/zinc/26/36/74/1013263674.db2.gz RLKJMWFIFUDMPH-LADGPHEKSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698140 1013263680 /nfs/dbraw/zinc/26/36/80/1013263680.db2.gz RLKJMWFIFUDMPH-LADGPHEKSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698140 1013263684 /nfs/dbraw/zinc/26/36/84/1013263684.db2.gz RLKJMWFIFUDMPH-LADGPHEKSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698140 1013263690 /nfs/dbraw/zinc/26/36/90/1013263690.db2.gz RLKJMWFIFUDMPH-LADGPHEKSA-N 2 2 401.558 3.910 20 0 HHADLP CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015548566 962790160 /nfs/dbraw/zinc/79/01/60/962790160.db2.gz HXJYOUOOMAMFNS-DEOSSOPVSA-N 2 2 423.557 3.693 20 0 HHADLP CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015548566 962790170 /nfs/dbraw/zinc/79/01/70/962790170.db2.gz HXJYOUOOMAMFNS-DEOSSOPVSA-N 2 2 423.557 3.693 20 0 HHADLP CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000542502815 1013446704 /nfs/dbraw/zinc/44/67/04/1013446704.db2.gz SMHQDOBUYCXQMS-UHFFFAOYSA-N 2 2 406.574 3.990 20 0 HHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782588 964060144 /nfs/dbraw/zinc/06/01/44/964060144.db2.gz SCTQBAGOYIUNSE-UHFFFAOYSA-N 2 2 408.456 3.946 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000542532510 1013475990 /nfs/dbraw/zinc/47/59/90/1013475990.db2.gz IZMQRPLEBZXRRA-JKSUJKDBSA-N 2 2 416.591 3.876 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000542532510 1013475992 /nfs/dbraw/zinc/47/59/92/1013475992.db2.gz IZMQRPLEBZXRRA-JKSUJKDBSA-N 2 2 416.591 3.876 20 0 HHADLP Cc1cnc([C@@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)s1 ZINC000542534658 1013480258 /nfs/dbraw/zinc/48/02/58/1013480258.db2.gz ZITXHECELNWREZ-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1cnc([C@@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)s1 ZINC000542534658 1013480263 /nfs/dbraw/zinc/48/02/63/1013480263.db2.gz ZITXHECELNWREZ-QFIPXVFZSA-N 2 2 412.603 3.535 20 0 HHADLP CCCCCCOc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797126 964399560 /nfs/dbraw/zinc/39/95/60/964399560.db2.gz QQRTWDAHJHHZPF-UHFFFAOYSA-N 2 2 415.622 3.863 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800901 964401703 /nfs/dbraw/zinc/40/17/03/964401703.db2.gz ADPFSDNWVPECFH-UHFFFAOYSA-N 2 2 416.566 3.546 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000026364992 964539424 /nfs/dbraw/zinc/53/94/24/964539424.db2.gz VOFOUZQXWUSZGG-ZWKOTPCHSA-N 2 2 415.965 3.528 20 0 HHADLP CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759829 964690013 /nfs/dbraw/zinc/69/00/13/964690013.db2.gz LNNZENRMYIXYTC-UHFFFAOYSA-N 2 2 400.611 3.684 20 0 HHADLP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1Br ZINC000052134817 964818720 /nfs/dbraw/zinc/81/87/20/964818720.db2.gz PFOJOTUFNIDQKW-INIZCTEOSA-N 2 2 410.400 3.823 20 0 HHADLP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1Br ZINC000052134817 964818724 /nfs/dbraw/zinc/81/87/24/964818724.db2.gz PFOJOTUFNIDQKW-INIZCTEOSA-N 2 2 410.400 3.823 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000027898658 964995013 /nfs/dbraw/zinc/99/50/13/964995013.db2.gz RJJAWFLMPYAWAY-IBGZPJMESA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000027898658 964995021 /nfs/dbraw/zinc/99/50/21/964995021.db2.gz RJJAWFLMPYAWAY-IBGZPJMESA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000027898658 964995025 /nfs/dbraw/zinc/99/50/25/964995025.db2.gz RJJAWFLMPYAWAY-IBGZPJMESA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000027898658 964995032 /nfs/dbraw/zinc/99/50/32/964995032.db2.gz RJJAWFLMPYAWAY-IBGZPJMESA-N 2 2 413.537 3.562 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)c2)cc[nH+]1 ZINC000542618612 1013554190 /nfs/dbraw/zinc/55/41/90/1013554190.db2.gz LVSQITUZFVCUCX-HMFYCAOWSA-N 2 2 407.562 3.875 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054717138 965619065 /nfs/dbraw/zinc/61/90/65/965619065.db2.gz SZVAAOXJYJFWSD-REWPJTCUSA-N 2 2 417.557 3.609 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054717138 965619072 /nfs/dbraw/zinc/61/90/72/965619072.db2.gz SZVAAOXJYJFWSD-REWPJTCUSA-N 2 2 417.557 3.609 20 0 HHADLP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000058514400 965764922 /nfs/dbraw/zinc/76/49/22/965764922.db2.gz QOUQUQXLGSQZPR-UHFFFAOYSA-N 2 2 411.550 3.513 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058804298 965911194 /nfs/dbraw/zinc/91/11/94/965911194.db2.gz GJKRIWSCTIZHIR-GOTSBHOMSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058804298 965911202 /nfs/dbraw/zinc/91/12/02/965911202.db2.gz GJKRIWSCTIZHIR-GOTSBHOMSA-N 2 2 409.599 3.557 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000060564060 966207597 /nfs/dbraw/zinc/20/75/97/966207597.db2.gz JRJSKLCJPBRTTH-OAQYLSRUSA-N 2 2 410.562 3.761 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000060564060 966207609 /nfs/dbraw/zinc/20/76/09/966207609.db2.gz JRJSKLCJPBRTTH-OAQYLSRUSA-N 2 2 410.562 3.761 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000061869038 966569510 /nfs/dbraw/zinc/56/95/10/966569510.db2.gz NIILWPAFMTUWAX-HXUWFJFHSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000061869038 966569515 /nfs/dbraw/zinc/56/95/15/966569515.db2.gz NIILWPAFMTUWAX-HXUWFJFHSA-N 2 2 421.589 3.782 20 0 HHADLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000042226806 966750048 /nfs/dbraw/zinc/75/00/48/966750048.db2.gz AYDHROLZQNINEU-UHFFFAOYSA-N 2 2 410.315 3.996 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000542771953 1013675432 /nfs/dbraw/zinc/67/54/32/1013675432.db2.gz DDFDHZIHZGKQBR-UHFFFAOYSA-N 2 2 411.509 3.989 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000538119174 1013680684 /nfs/dbraw/zinc/68/06/84/1013680684.db2.gz XMZOFWXQBOUJRI-QFIPXVFZSA-N 2 2 415.541 3.635 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000538119174 1013680691 /nfs/dbraw/zinc/68/06/91/1013680691.db2.gz XMZOFWXQBOUJRI-QFIPXVFZSA-N 2 2 415.541 3.635 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000538119582 1013682056 /nfs/dbraw/zinc/68/20/56/1013682056.db2.gz CKROXYBEILHMRB-SFHVURJKSA-N 2 2 409.559 3.920 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000538119582 1013682062 /nfs/dbraw/zinc/68/20/62/1013682062.db2.gz CKROXYBEILHMRB-SFHVURJKSA-N 2 2 409.559 3.920 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(I)cc2)n1 ZINC000538121236 1013683292 /nfs/dbraw/zinc/68/32/92/1013683292.db2.gz SXOPDWRZKIVTIS-UHFFFAOYSA-N 2 2 422.270 3.665 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(I)cc2)n1 ZINC000538121236 1013683297 /nfs/dbraw/zinc/68/32/97/1013683297.db2.gz SXOPDWRZKIVTIS-UHFFFAOYSA-N 2 2 422.270 3.665 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC[C@@H](C)C3)c2C1 ZINC000063822657 966968810 /nfs/dbraw/zinc/96/88/10/966968810.db2.gz MMXZODFLRWMHLN-LJQANCHMSA-N 2 2 408.590 3.855 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCC[C@@H](C)C3)c2C1 ZINC000063822657 966968817 /nfs/dbraw/zinc/96/88/17/966968817.db2.gz MMXZODFLRWMHLN-LJQANCHMSA-N 2 2 408.590 3.855 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c2C1 ZINC000063822657 966968821 /nfs/dbraw/zinc/96/88/21/966968821.db2.gz MMXZODFLRWMHLN-LJQANCHMSA-N 2 2 408.590 3.855 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)c2C1 ZINC000063822657 966968827 /nfs/dbraw/zinc/96/88/27/966968827.db2.gz MMXZODFLRWMHLN-LJQANCHMSA-N 2 2 408.590 3.855 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517652 966988747 /nfs/dbraw/zinc/98/87/47/966988747.db2.gz CTFKYYFFFVDPOG-QGZVFWFLSA-N 2 2 403.552 3.681 20 0 HHADLP COc1cccc([C@@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)c1 ZINC000043517572 966989133 /nfs/dbraw/zinc/98/91/33/966989133.db2.gz QDIXKPODGLCQRZ-LJQANCHMSA-N 2 2 417.579 3.562 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000043547117 966997088 /nfs/dbraw/zinc/99/70/88/966997088.db2.gz KIBDGTIOIJVREL-KXBFYZLASA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000043547117 966997094 /nfs/dbraw/zinc/99/70/94/966997094.db2.gz KIBDGTIOIJVREL-KXBFYZLASA-N 2 2 419.570 3.939 20 0 HHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000542849764 1013708674 /nfs/dbraw/zinc/70/86/74/1013708674.db2.gz FDFGPYSYQUEADU-HXUWFJFHSA-N 2 2 412.981 3.844 20 0 HHADLP CC(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000542849764 1013708676 /nfs/dbraw/zinc/70/86/76/1013708676.db2.gz FDFGPYSYQUEADU-HXUWFJFHSA-N 2 2 412.981 3.844 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000064644587 967258858 /nfs/dbraw/zinc/25/88/58/967258858.db2.gz NJAVZEZSTUJABY-SFHVURJKSA-N 2 2 418.632 3.549 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000064644587 967258867 /nfs/dbraw/zinc/25/88/67/967258867.db2.gz NJAVZEZSTUJABY-SFHVURJKSA-N 2 2 418.632 3.549 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000065447663 967470075 /nfs/dbraw/zinc/47/00/75/967470075.db2.gz IRUOZYHILZZKCG-BGYRXZFFSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000065447663 967470081 /nfs/dbraw/zinc/47/00/81/967470081.db2.gz IRUOZYHILZZKCG-BGYRXZFFSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000065447663 967470087 /nfs/dbraw/zinc/47/00/87/967470087.db2.gz IRUOZYHILZZKCG-BGYRXZFFSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000065447663 967470092 /nfs/dbraw/zinc/47/00/92/967470092.db2.gz IRUOZYHILZZKCG-BGYRXZFFSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532240 967490092 /nfs/dbraw/zinc/49/00/92/967490092.db2.gz QDAPDJCLCGZMHA-SFTDATJTSA-N 2 2 411.594 3.531 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065521475 967505306 /nfs/dbraw/zinc/50/53/06/967505306.db2.gz LUCFIPUVRLCEQB-UGKGYDQZSA-N 2 2 407.562 3.707 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065521475 967505309 /nfs/dbraw/zinc/50/53/09/967505309.db2.gz LUCFIPUVRLCEQB-UGKGYDQZSA-N 2 2 407.562 3.707 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542890866 1013736574 /nfs/dbraw/zinc/73/65/74/1013736574.db2.gz HBKLXFGVMMRGEJ-DQEYMECFSA-N 2 2 422.617 3.946 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542890866 1013736578 /nfs/dbraw/zinc/73/65/78/1013736578.db2.gz HBKLXFGVMMRGEJ-DQEYMECFSA-N 2 2 422.617 3.946 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047884157 968352281 /nfs/dbraw/zinc/35/22/81/968352281.db2.gz LVNOSQAGUDDEDU-LJQANCHMSA-N 2 2 410.965 3.788 20 0 HHADLP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000538256562 1013797903 /nfs/dbraw/zinc/79/79/03/1013797903.db2.gz QPWWFCFRRQYARW-IBGZPJMESA-N 2 2 413.537 3.528 20 0 HHADLP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000538256562 1013797913 /nfs/dbraw/zinc/79/79/13/1013797913.db2.gz QPWWFCFRRQYARW-IBGZPJMESA-N 2 2 413.537 3.528 20 0 HHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000097134362 969095073 /nfs/dbraw/zinc/09/50/73/969095073.db2.gz ORIXCRIPPXWGFJ-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000097134362 969095079 /nfs/dbraw/zinc/09/50/79/969095079.db2.gz ORIXCRIPPXWGFJ-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP COc1ccc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187801 969225043 /nfs/dbraw/zinc/22/50/43/969225043.db2.gz BSGYGKYQRAIOQR-QFIPXVFZSA-N 2 2 415.965 3.734 20 0 HHADLP COc1ccc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187801 969225051 /nfs/dbraw/zinc/22/50/51/969225051.db2.gz BSGYGKYQRAIOQR-QFIPXVFZSA-N 2 2 415.965 3.734 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868527 969308864 /nfs/dbraw/zinc/30/88/64/969308864.db2.gz UXDICXRRXNNVHY-ZIAGYGMSSA-N 2 2 418.173 3.937 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868527 969308870 /nfs/dbraw/zinc/30/88/70/969308870.db2.gz UXDICXRRXNNVHY-ZIAGYGMSSA-N 2 2 418.173 3.937 20 0 HHADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000109545655 969531108 /nfs/dbraw/zinc/53/11/08/969531108.db2.gz DCSUCEDLKJSQFO-UHFFFAOYSA-N 2 2 423.557 3.852 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CCOC4CCCCCC4)C3)CC2)nc1 ZINC000112664564 969822452 /nfs/dbraw/zinc/82/24/52/969822452.db2.gz GEPTXQAZWIUTCC-QFIPXVFZSA-N 2 2 400.611 3.655 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CCOC4CCCCCC4)C3)CC2)nc1 ZINC000112664564 969822458 /nfs/dbraw/zinc/82/24/58/969822458.db2.gz GEPTXQAZWIUTCC-QFIPXVFZSA-N 2 2 400.611 3.655 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000195652335 969934279 /nfs/dbraw/zinc/93/42/79/969934279.db2.gz ILEROKFJFXDVFF-DNVCBOLYSA-N 2 2 419.363 3.528 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Br ZINC000195652335 969934283 /nfs/dbraw/zinc/93/42/83/969934283.db2.gz ILEROKFJFXDVFF-DNVCBOLYSA-N 2 2 419.363 3.528 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000215981358 970058741 /nfs/dbraw/zinc/05/87/41/970058741.db2.gz QHKATQNIDSVTAP-UHFFFAOYSA-N 2 2 400.567 3.688 20 0 HHADLP O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000142755616 970167249 /nfs/dbraw/zinc/16/72/49/970167249.db2.gz OXVVBALSNUQBNP-OAQYLSRUSA-N 2 2 401.601 3.500 20 0 HHADLP O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000142755616 970167255 /nfs/dbraw/zinc/16/72/55/970167255.db2.gz OXVVBALSNUQBNP-OAQYLSRUSA-N 2 2 401.601 3.500 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237031927 970210376 /nfs/dbraw/zinc/21/03/76/970210376.db2.gz INAXQMMHEHNJLI-GOSISDBHSA-N 2 2 412.559 3.589 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237031927 970210379 /nfs/dbraw/zinc/21/03/79/970210379.db2.gz INAXQMMHEHNJLI-GOSISDBHSA-N 2 2 412.559 3.589 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000237141248 970230090 /nfs/dbraw/zinc/23/00/90/970230090.db2.gz PLBVBJAOTGBXSW-IBGZPJMESA-N 2 2 416.610 3.958 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000145542489 970264566 /nfs/dbraw/zinc/26/45/66/970264566.db2.gz AFYBHTPLJGLSCH-MAUKXSAKSA-N 2 2 411.472 3.673 20 0 HHADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccncc1 ZINC000237364550 970270644 /nfs/dbraw/zinc/27/06/44/970270644.db2.gz WYIDFEAUBJHLGP-UHFFFAOYSA-N 2 2 404.514 3.823 20 0 HHADLP COc1ccc(OC)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000237384597 970275200 /nfs/dbraw/zinc/27/52/00/970275200.db2.gz ZBKGWAKDWUHBTP-UHFFFAOYSA-N 2 2 423.479 3.764 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)cc1F ZINC000237650931 970329722 /nfs/dbraw/zinc/32/97/22/970329722.db2.gz MUDIXECANOKFHF-UHFFFAOYSA-N 2 2 422.504 3.515 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000238022444 970419437 /nfs/dbraw/zinc/41/94/37/970419437.db2.gz IISIYLAYCDFLEF-UHFFFAOYSA-N 2 2 419.525 3.897 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000554682765 1014011487 /nfs/dbraw/zinc/01/14/87/1014011487.db2.gz YVIQKVLYJOEQIU-SFHVURJKSA-N 2 2 415.607 3.593 20 0 HHADLP C[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2sccc2C1 ZINC000554682765 1014011494 /nfs/dbraw/zinc/01/14/94/1014011494.db2.gz YVIQKVLYJOEQIU-SFHVURJKSA-N 2 2 415.607 3.593 20 0 HHADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000313906205 972637025 /nfs/dbraw/zinc/63/70/25/972637025.db2.gz SNKVDLRFUQGIOA-UHFFFAOYSA-N 2 2 415.344 3.879 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000409477823 972926991 /nfs/dbraw/zinc/92/69/91/972926991.db2.gz QHKFJRALMOSOKK-NRFANRHFSA-N 2 2 423.536 3.764 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000409491941 972943462 /nfs/dbraw/zinc/94/34/62/972943462.db2.gz BYWGCKVJDKLVOQ-UHFFFAOYSA-N 2 2 421.520 3.784 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000554843903 1014071872 /nfs/dbraw/zinc/07/18/72/1014071872.db2.gz RKOVWFBWFCDFDA-IEFUJUGPSA-N 2 2 409.618 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000554843903 1014071875 /nfs/dbraw/zinc/07/18/75/1014071875.db2.gz RKOVWFBWFCDFDA-IEFUJUGPSA-N 2 2 409.618 3.962 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554844404 1014072094 /nfs/dbraw/zinc/07/20/94/1014072094.db2.gz WILVPWBYXUMOPK-QFIPXVFZSA-N 2 2 423.557 3.610 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554844404 1014072099 /nfs/dbraw/zinc/07/20/99/1014072099.db2.gz WILVPWBYXUMOPK-QFIPXVFZSA-N 2 2 423.557 3.610 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409762102 973238445 /nfs/dbraw/zinc/23/84/45/973238445.db2.gz NJRZXQGJDDZYPQ-TZIWHRDSSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409762102 973238453 /nfs/dbraw/zinc/23/84/53/973238453.db2.gz NJRZXQGJDDZYPQ-TZIWHRDSSA-N 2 2 409.578 3.629 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410044993 973526388 /nfs/dbraw/zinc/52/63/88/973526388.db2.gz XDVGOWVBKOYFJU-OAQYLSRUSA-N 2 2 421.589 3.773 20 0 HHADLP Cc1ccc2cc([C@@H](C)[NH2+][C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)oc2c1 ZINC000426023882 974144262 /nfs/dbraw/zinc/14/42/62/974144262.db2.gz QGMPKTUDWUISEL-QUCCMNQESA-N 2 2 421.545 3.687 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccccc1 ZINC000426234414 974331037 /nfs/dbraw/zinc/33/10/37/974331037.db2.gz BBTLNADGYWIUHV-DNVJHFABSA-N 2 2 403.530 3.714 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc(F)c1 ZINC000426252829 974347558 /nfs/dbraw/zinc/34/75/58/974347558.db2.gz BMXLXZIHPSDNIK-ZRBLBEILSA-N 2 2 421.520 3.853 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426822080 974687486 /nfs/dbraw/zinc/68/74/86/974687486.db2.gz ZOXYYRSQIIYZHW-FGTMMUONSA-N 2 2 407.986 3.878 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426822080 974687489 /nfs/dbraw/zinc/68/74/89/974687489.db2.gz ZOXYYRSQIIYZHW-FGTMMUONSA-N 2 2 407.986 3.878 20 0 HHADLP Cc1cccc(-c2cncc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)c1 ZINC000426850280 974709540 /nfs/dbraw/zinc/70/95/40/974709540.db2.gz XUQMCUCEVYVDIR-UHFFFAOYSA-N 2 2 406.574 3.737 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)cc1F ZINC000427859071 975324711 /nfs/dbraw/zinc/32/47/11/975324711.db2.gz NAAKARRAAWAYSJ-WFASDCNBSA-N 2 2 408.319 3.692 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258396 975571876 /nfs/dbraw/zinc/57/18/76/975571876.db2.gz FCSAJYIYEHUNPA-NJDAHSKKSA-N 2 2 422.495 3.634 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258396 975571887 /nfs/dbraw/zinc/57/18/87/975571887.db2.gz FCSAJYIYEHUNPA-NJDAHSKKSA-N 2 2 422.495 3.634 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428346760 975659284 /nfs/dbraw/zinc/65/92/84/975659284.db2.gz IEEDUNZGLFAYLI-GBXCKJPGSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428346760 975659305 /nfs/dbraw/zinc/65/93/05/975659305.db2.gz IEEDUNZGLFAYLI-GBXCKJPGSA-N 2 2 417.557 3.784 20 0 HHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1Br ZINC000428537788 975836409 /nfs/dbraw/zinc/83/64/09/975836409.db2.gz OQNDJYFOKLINHF-KRWDZBQOSA-N 2 2 400.320 3.576 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1Br ZINC000428538913 975839305 /nfs/dbraw/zinc/83/93/05/975839305.db2.gz ACIPIWVAYXMEQS-CQSZACIVSA-N 2 2 406.349 3.637 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)sc2C1 ZINC000428538827 975839847 /nfs/dbraw/zinc/83/98/47/975839847.db2.gz YEJXSYVOJMNZOF-IBGZPJMESA-N 2 2 416.660 3.617 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CSCCN3Cc3ccccc3)sc2C1 ZINC000428538827 975839859 /nfs/dbraw/zinc/83/98/59/975839859.db2.gz YEJXSYVOJMNZOF-IBGZPJMESA-N 2 2 416.660 3.617 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000428615829 975921824 /nfs/dbraw/zinc/92/18/24/975921824.db2.gz GXLOVJSBRGCLFV-OXJNMPFZSA-N 2 2 401.580 3.505 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000428615829 975921850 /nfs/dbraw/zinc/92/18/50/975921850.db2.gz GXLOVJSBRGCLFV-OXJNMPFZSA-N 2 2 401.580 3.505 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2cccs2)CC1 ZINC000428681011 975972446 /nfs/dbraw/zinc/97/24/46/975972446.db2.gz BBSHMFHHKDBKEX-IBGZPJMESA-N 2 2 415.607 3.896 20 0 HHADLP FC(F)(F)c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000428878632 976170169 /nfs/dbraw/zinc/17/01/69/976170169.db2.gz AZEHOCZROLSOSB-UHFFFAOYSA-N 2 2 400.466 3.768 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712398 /nfs/dbraw/zinc/71/23/98/976712398.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712405 /nfs/dbraw/zinc/71/24/05/976712405.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712416 /nfs/dbraw/zinc/71/24/16/976712416.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@H]3C2)cc1 ZINC000429432424 976712425 /nfs/dbraw/zinc/71/24/25/976712425.db2.gz XCIBUANHKBOJOD-YYGZZXRFSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3[C@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712530 /nfs/dbraw/zinc/71/25/30/976712530.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3[C@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712538 /nfs/dbraw/zinc/71/25/38/976712538.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3[C@H]([NH2+]C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712547 /nfs/dbraw/zinc/71/25/47/976712547.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3[C@H]([NH2+]C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)CC[C@@H]3C2)cc1 ZINC000429432423 976712555 /nfs/dbraw/zinc/71/25/55/976712555.db2.gz XCIBUANHKBOJOD-JVYGEBFASA-N 3 2 419.613 3.778 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000429500791 976756232 /nfs/dbraw/zinc/75/62/32/976756232.db2.gz GOQDTHNKSADEDN-SFTDATJTSA-N 2 2 409.578 3.772 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540762 976803576 /nfs/dbraw/zinc/80/35/76/976803576.db2.gz UABCXWANGVADPY-VQIMIIECSA-N 2 2 408.384 3.669 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540762 976803588 /nfs/dbraw/zinc/80/35/88/976803588.db2.gz UABCXWANGVADPY-VQIMIIECSA-N 2 2 408.384 3.669 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000429611416 976896392 /nfs/dbraw/zinc/89/63/92/976896392.db2.gz NZFROVWHUWXLHV-UHFFFAOYSA-N 2 2 412.582 3.532 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000430180849 977374534 /nfs/dbraw/zinc/37/45/34/977374534.db2.gz SBIXYLHGDGAMKR-RTBURBONSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000430180849 977374547 /nfs/dbraw/zinc/37/45/47/977374547.db2.gz SBIXYLHGDGAMKR-RTBURBONSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000430440240 977550953 /nfs/dbraw/zinc/55/09/53/977550953.db2.gz LIBZBIKGYQXQSS-LJQANCHMSA-N 2 2 417.985 3.870 20 0 HHADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430567477 977635857 /nfs/dbraw/zinc/63/58/57/977635857.db2.gz DOIKQBJQBJFOEA-FQEVSTJZSA-N 2 2 417.985 3.869 20 0 HHADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430567477 977635858 /nfs/dbraw/zinc/63/58/58/977635858.db2.gz DOIKQBJQBJFOEA-FQEVSTJZSA-N 2 2 417.985 3.869 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810681 977770876 /nfs/dbraw/zinc/77/08/76/977770876.db2.gz MLHZPEYLFLFPQD-WUMKDDEVSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810681 977770879 /nfs/dbraw/zinc/77/08/79/977770879.db2.gz MLHZPEYLFLFPQD-WUMKDDEVSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810681 977770885 /nfs/dbraw/zinc/77/08/85/977770885.db2.gz MLHZPEYLFLFPQD-WUMKDDEVSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810681 977770888 /nfs/dbraw/zinc/77/08/88/977770888.db2.gz MLHZPEYLFLFPQD-WUMKDDEVSA-N 2 2 410.558 3.614 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000430913326 977881969 /nfs/dbraw/zinc/88/19/69/977881969.db2.gz UFGINFIFPFZXJO-QGZVFWFLSA-N 2 2 422.451 3.508 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000430913326 977881977 /nfs/dbraw/zinc/88/19/77/977881977.db2.gz UFGINFIFPFZXJO-QGZVFWFLSA-N 2 2 422.451 3.508 20 0 HHADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430919397 977887258 /nfs/dbraw/zinc/88/72/58/977887258.db2.gz QIEPQHPEMRUJPT-UHFFFAOYSA-N 3 2 415.622 3.916 20 0 HHADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430919397 977887264 /nfs/dbraw/zinc/88/72/64/977887264.db2.gz QIEPQHPEMRUJPT-UHFFFAOYSA-N 3 2 415.622 3.916 20 0 HHADLP C[C@@H](CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000431605482 978379634 /nfs/dbraw/zinc/37/96/34/978379634.db2.gz RJRJCORDGIGWLA-SFHVURJKSA-N 2 2 424.626 3.872 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000431789254 978514485 /nfs/dbraw/zinc/51/44/85/978514485.db2.gz AKPRNWGHGMAWBV-DEOSSOPVSA-N 2 2 410.606 3.797 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432346611 978770078 /nfs/dbraw/zinc/77/00/78/978770078.db2.gz MKBACJXQZAFRDD-MRXNPFEDSA-N 2 2 421.383 3.534 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432346611 978770081 /nfs/dbraw/zinc/77/00/81/978770081.db2.gz MKBACJXQZAFRDD-MRXNPFEDSA-N 2 2 421.383 3.534 20 0 HHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCCO1 ZINC000432347652 978770716 /nfs/dbraw/zinc/77/07/16/978770716.db2.gz OBEPFBXSHXXGDS-SFHVURJKSA-N 2 2 403.954 3.905 20 0 HHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCCO1 ZINC000432347652 978770721 /nfs/dbraw/zinc/77/07/21/978770721.db2.gz OBEPFBXSHXXGDS-SFHVURJKSA-N 2 2 403.954 3.905 20 0 HHADLP COC(=O)c1cc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000432821233 978985019 /nfs/dbraw/zinc/98/50/19/978985019.db2.gz WLHDZRQPIPRPCU-KRWDZBQOSA-N 3 2 405.583 3.564 20 0 HHADLP COC(=O)c1cc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000432821233 978985023 /nfs/dbraw/zinc/98/50/23/978985023.db2.gz WLHDZRQPIPRPCU-KRWDZBQOSA-N 3 2 405.583 3.564 20 0 HHADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432832153 978987129 /nfs/dbraw/zinc/98/71/29/978987129.db2.gz XJSDDXQTLBILIZ-AWEZNQCLSA-N 2 2 404.352 3.768 20 0 HHADLP C[C@@H](CO)[N@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432832153 978987130 /nfs/dbraw/zinc/98/71/30/978987130.db2.gz XJSDDXQTLBILIZ-AWEZNQCLSA-N 2 2 404.352 3.768 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000433070648 979058287 /nfs/dbraw/zinc/05/82/87/979058287.db2.gz YGQACDRCWNGYNK-UHFFFAOYSA-N 2 2 410.562 3.899 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000433070648 979058291 /nfs/dbraw/zinc/05/82/91/979058291.db2.gz YGQACDRCWNGYNK-UHFFFAOYSA-N 2 2 410.562 3.899 20 0 HHADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc4cc(Br)ccc4n3)CC2)CC1 ZINC000433535859 979364960 /nfs/dbraw/zinc/36/49/60/979364960.db2.gz XYRBIWMGOKSAEF-UHFFFAOYSA-N 2 2 417.395 3.992 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433993068 979741073 /nfs/dbraw/zinc/74/10/73/979741073.db2.gz HJDVQLORGMMSJM-WMZHIEFXSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433993068 979741081 /nfs/dbraw/zinc/74/10/81/979741081.db2.gz HJDVQLORGMMSJM-WMZHIEFXSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433993022 979741203 /nfs/dbraw/zinc/74/12/03/979741203.db2.gz GWZAZCHUPMWANB-AUSIDOKSSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433993022 979741213 /nfs/dbraw/zinc/74/12/13/979741213.db2.gz GWZAZCHUPMWANB-AUSIDOKSSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[C@](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)([NH+](C)C)C1 ZINC000434268748 980030416 /nfs/dbraw/zinc/03/04/16/980030416.db2.gz DHFMSMDNMJDYFP-JPYJTQIMSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434362746 980115868 /nfs/dbraw/zinc/11/58/68/980115868.db2.gz GAJSOIFYYDPMFJ-ICSRJNTNSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000434362746 980115869 /nfs/dbraw/zinc/11/58/69/980115869.db2.gz GAJSOIFYYDPMFJ-ICSRJNTNSA-N 2 2 413.610 3.761 20 0 HHADLP Cc1cc2sc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)nc2cc1F ZINC000434530402 980231837 /nfs/dbraw/zinc/23/18/37/980231837.db2.gz MTTRNBDRFHJNFP-UHFFFAOYSA-N 2 2 419.570 3.816 20 0 HHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679232 980334901 /nfs/dbraw/zinc/33/49/01/980334901.db2.gz BJNIROFHANELGW-KRWDZBQOSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687726 980340457 /nfs/dbraw/zinc/34/04/57/980340457.db2.gz FNYCDQDCTXLJMW-KRWDZBQOSA-N 2 2 410.587 3.926 20 0 HHADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688234 980340552 /nfs/dbraw/zinc/34/05/52/980340552.db2.gz JYCKRALMZVRTQI-QZTJIDSGSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccc([C@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(C)C)cc1 ZINC000434692494 980344296 /nfs/dbraw/zinc/34/42/96/980344296.db2.gz YFZKBERSPCWWKK-XMMPIXPASA-N 2 2 424.589 3.921 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1Cl ZINC000434754632 980380316 /nfs/dbraw/zinc/38/03/16/980380316.db2.gz GODWAWHBNTVELQ-INIZCTEOSA-N 2 2 400.954 3.930 20 0 HHADLP Cc1c(C)c(C)c(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1C ZINC000434966221 980537210 /nfs/dbraw/zinc/53/72/10/980537210.db2.gz JLDHMMSLXCFDAS-UHFFFAOYSA-N 2 2 400.611 3.587 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C2(c3nccs3)CCCC2)CC1 ZINC000435030953 980583547 /nfs/dbraw/zinc/58/35/47/980583547.db2.gz XDGYYHDQDYKQDT-UHFFFAOYSA-N 2 2 412.603 3.545 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C2(c3nccs3)CCCC2)CC1 ZINC000435030953 980583551 /nfs/dbraw/zinc/58/35/51/980583551.db2.gz XDGYYHDQDYKQDT-UHFFFAOYSA-N 2 2 412.603 3.545 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000435131495 980662151 /nfs/dbraw/zinc/66/21/51/980662151.db2.gz ZIQPWNIIZBTJHI-RTWAWAEBSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000435131495 980662155 /nfs/dbraw/zinc/66/21/55/980662155.db2.gz ZIQPWNIIZBTJHI-RTWAWAEBSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000435131494 980662343 /nfs/dbraw/zinc/66/23/43/980662343.db2.gz ZIQPWNIIZBTJHI-NHCUHLMSSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000435131494 980662349 /nfs/dbraw/zinc/66/23/49/980662349.db2.gz ZIQPWNIIZBTJHI-NHCUHLMSSA-N 2 2 422.573 3.818 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000435798069 981035703 /nfs/dbraw/zinc/03/57/03/981035703.db2.gz MARADSOFXHVRER-DHIUTWEWSA-N 2 2 414.569 3.727 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000435798069 981035711 /nfs/dbraw/zinc/03/57/11/981035711.db2.gz MARADSOFXHVRER-DHIUTWEWSA-N 2 2 414.569 3.727 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000448473869 981815628 /nfs/dbraw/zinc/81/56/28/981815628.db2.gz NVMKMYCWPICQQF-OIBXWCBGSA-N 2 2 409.578 3.779 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000448473869 981815639 /nfs/dbraw/zinc/81/56/39/981815639.db2.gz NVMKMYCWPICQQF-OIBXWCBGSA-N 2 2 409.578 3.779 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448523360 981851609 /nfs/dbraw/zinc/85/16/09/981851609.db2.gz YIJHTFOFYIKPLH-KRWDZBQOSA-N 2 2 406.534 3.640 20 0 HHADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460502403 982291086 /nfs/dbraw/zinc/29/10/86/982291086.db2.gz IFPDUPOQLGBXMB-BHIFYINESA-N 2 2 407.643 3.530 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000437973443 982499479 /nfs/dbraw/zinc/49/94/79/982499479.db2.gz JGDKEXHKSBHEKJ-NRFANRHFSA-N 2 2 417.985 3.931 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000437973443 982499493 /nfs/dbraw/zinc/49/94/93/982499493.db2.gz JGDKEXHKSBHEKJ-NRFANRHFSA-N 2 2 417.985 3.931 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000437979873 982503932 /nfs/dbraw/zinc/50/39/32/982503932.db2.gz ZGWAVKSQSPQMLQ-UHFFFAOYSA-N 2 2 416.463 3.916 20 0 HHADLP CC(C)N(C)c1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000438058536 982559737 /nfs/dbraw/zinc/55/97/37/982559737.db2.gz MDDOEWSUFISIOG-UHFFFAOYSA-N 2 2 401.599 3.603 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000438060116 982561194 /nfs/dbraw/zinc/56/11/94/982561194.db2.gz VQUWXLRXXYGZRH-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000438060116 982561201 /nfs/dbraw/zinc/56/12/01/982561201.db2.gz VQUWXLRXXYGZRH-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)([NH+]2CCCCC2)CC1 ZINC000438069458 982569285 /nfs/dbraw/zinc/56/92/85/982569285.db2.gz BLUOFDZVRUBJMQ-XUTJKUGGSA-N 2 2 419.013 3.836 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000438141533 982610847 /nfs/dbraw/zinc/61/08/47/982610847.db2.gz KKEZHBQIIQAOCF-QFIPXVFZSA-N 2 2 401.599 3.882 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000438141533 982610853 /nfs/dbraw/zinc/61/08/53/982610853.db2.gz KKEZHBQIIQAOCF-QFIPXVFZSA-N 2 2 401.599 3.882 20 0 HHADLP Cc1cc(C)c(Br)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000461011091 982722149 /nfs/dbraw/zinc/72/21/49/982722149.db2.gz ZKHAAKDBCDGORZ-UHFFFAOYSA-N 2 2 422.411 3.746 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438374042 982752100 /nfs/dbraw/zinc/75/21/00/982752100.db2.gz HVSAMSIWQRBBOM-PKOBYXMFSA-N 2 2 413.393 3.517 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438374042 982752105 /nfs/dbraw/zinc/75/21/05/982752105.db2.gz HVSAMSIWQRBBOM-PKOBYXMFSA-N 2 2 413.393 3.517 20 0 HHADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)NCC4([NH+]5CCCCC5)CC[NH+](C)CC4)cc3c2C1 ZINC000461291169 982991045 /nfs/dbraw/zinc/99/10/45/982991045.db2.gz RMCOXYDCJOZBNT-LJQANCHMSA-N 2 2 422.617 3.973 20 0 HHADLP CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)CCCC2 ZINC000439647937 983483090 /nfs/dbraw/zinc/48/30/90/983483090.db2.gz NJKODMFYDLATCO-OAHLLOKOSA-N 2 2 421.607 3.593 20 0 HHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816873 983549492 /nfs/dbraw/zinc/54/94/92/983549492.db2.gz ZALCKHQUPPOPNO-YADARESESA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816873 983549493 /nfs/dbraw/zinc/54/94/93/983549493.db2.gz ZALCKHQUPPOPNO-YADARESESA-N 2 2 408.590 3.824 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000440824797 983923585 /nfs/dbraw/zinc/92/35/85/983923585.db2.gz QAYALGQNOIDASN-HSZRJFAPSA-N 2 2 405.546 3.672 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000440824797 983923586 /nfs/dbraw/zinc/92/35/86/983923586.db2.gz QAYALGQNOIDASN-HSZRJFAPSA-N 2 2 405.546 3.672 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441012960 984022291 /nfs/dbraw/zinc/02/22/91/984022291.db2.gz GPQMYFFAGACGJY-UHFFFAOYSA-N 2 2 423.605 3.819 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000441027688 984030230 /nfs/dbraw/zinc/03/02/30/984030230.db2.gz CRSPILKXZMHMOH-UHFFFAOYSA-N 2 2 400.394 3.863 20 0 HHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000441044398 984040362 /nfs/dbraw/zinc/04/03/62/984040362.db2.gz JLNGDAKGJHGSGJ-URXFXBBRSA-N 2 2 414.638 3.523 20 0 HHADLP CC1(C)C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000441061419 984049846 /nfs/dbraw/zinc/04/98/46/984049846.db2.gz LDPPLPXLNNFVDX-HSZRJFAPSA-N 2 2 407.558 3.583 20 0 HHADLP CC1(C)C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000441061419 984049853 /nfs/dbraw/zinc/04/98/53/984049853.db2.gz LDPPLPXLNNFVDX-HSZRJFAPSA-N 2 2 407.558 3.583 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CC1 ZINC000441069000 984053847 /nfs/dbraw/zinc/05/38/47/984053847.db2.gz SVKYBWCDENKXHG-UHFFFAOYSA-N 2 2 420.601 3.929 20 0 HHADLP Cc1nc(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2)cs1 ZINC000441071098 984054976 /nfs/dbraw/zinc/05/49/76/984054976.db2.gz YRFHTERPITXVAI-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322233 984182033 /nfs/dbraw/zinc/18/20/33/984182033.db2.gz GCIFEDAHTFRCTF-FDDCHVKYSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322233 984182035 /nfs/dbraw/zinc/18/20/35/984182035.db2.gz GCIFEDAHTFRCTF-FDDCHVKYSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343642 984198039 /nfs/dbraw/zinc/19/80/39/984198039.db2.gz WISJRHUIAHJGJJ-BWKNWUBXSA-N 2 2 420.601 3.795 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343642 984198041 /nfs/dbraw/zinc/19/80/41/984198041.db2.gz WISJRHUIAHJGJJ-BWKNWUBXSA-N 2 2 420.601 3.795 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000441380433 984220188 /nfs/dbraw/zinc/22/01/88/984220188.db2.gz FYOIIRZBIAQSTO-RTWAWAEBSA-N 2 2 404.514 3.645 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)c(C)c1 ZINC000441382302 984221413 /nfs/dbraw/zinc/22/14/13/984221413.db2.gz TYSREVIFCNLKFG-NQIIRXRSSA-N 2 2 408.571 3.866 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)c(C)c1 ZINC000441382306 984221459 /nfs/dbraw/zinc/22/14/59/984221459.db2.gz TYSREVIFCNLKFG-RXVVDRJESA-N 2 2 408.571 3.866 20 0 HHADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441383522 984221814 /nfs/dbraw/zinc/22/18/14/984221814.db2.gz MHPZYWUTVMVXJQ-FDDCHVKYSA-N 2 2 419.529 3.816 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415316 984239521 /nfs/dbraw/zinc/23/95/21/984239521.db2.gz MEIWHPWEYNQNEM-RCZVLFRGSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415316 984239524 /nfs/dbraw/zinc/23/95/24/984239524.db2.gz MEIWHPWEYNQNEM-RCZVLFRGSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441415316 984239527 /nfs/dbraw/zinc/23/95/27/984239527.db2.gz MEIWHPWEYNQNEM-RCZVLFRGSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441415316 984239529 /nfs/dbraw/zinc/23/95/29/984239529.db2.gz MEIWHPWEYNQNEM-RCZVLFRGSA-N 2 2 421.585 3.756 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000442231592 984751202 /nfs/dbraw/zinc/75/12/02/984751202.db2.gz ALJHIDDLQYXQNP-XZOQPEGZSA-N 2 2 423.536 3.982 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(C)c1 ZINC000442233899 984754218 /nfs/dbraw/zinc/75/42/18/984754218.db2.gz GJUGDTVHKRVBNT-QFIPXVFZSA-N 2 2 420.561 3.639 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237732 984758426 /nfs/dbraw/zinc/75/84/26/984758426.db2.gz YFTFCOFMOIMIFU-UPVQGACJSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237732 984758430 /nfs/dbraw/zinc/75/84/30/984758430.db2.gz YFTFCOFMOIMIFU-UPVQGACJSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243895 984765216 /nfs/dbraw/zinc/76/52/16/984765216.db2.gz RTTRDUKKXQRRNV-FYYLOGMGSA-N 2 2 409.578 3.615 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243895 984765222 /nfs/dbraw/zinc/76/52/22/984765222.db2.gz RTTRDUKKXQRRNV-FYYLOGMGSA-N 2 2 409.578 3.615 20 0 HHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000462116953 985086916 /nfs/dbraw/zinc/08/69/16/985086916.db2.gz ABIOAKFHNMCOBX-UHFFFAOYSA-N 2 2 405.539 3.591 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462617136 985560276 /nfs/dbraw/zinc/56/02/76/985560276.db2.gz NPKWJLWETPIIJJ-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462617136 985560289 /nfs/dbraw/zinc/56/02/89/985560289.db2.gz NPKWJLWETPIIJJ-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP CC(C)C[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468021909 985675776 /nfs/dbraw/zinc/67/57/76/985675776.db2.gz LXGPWYORPOSGFE-IFMALSPDSA-N 2 2 409.578 3.679 20 0 HHADLP Fc1ccc(Br)c2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c12 ZINC000443510440 985681415 /nfs/dbraw/zinc/68/14/15/985681415.db2.gz OLZFONFHSONBMN-UHFFFAOYSA-N 2 2 408.315 3.685 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000462743331 985686019 /nfs/dbraw/zinc/68/60/19/985686019.db2.gz JXMALKOFNPHMLX-PUHATCMVSA-N 2 2 409.578 3.778 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000462743331 985686023 /nfs/dbraw/zinc/68/60/23/985686023.db2.gz JXMALKOFNPHMLX-PUHATCMVSA-N 2 2 409.578 3.778 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000462779001 985714656 /nfs/dbraw/zinc/71/46/56/985714656.db2.gz RRDIYGCFPVACDA-UHFFFAOYSA-N 2 2 408.542 3.796 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000462784247 985719255 /nfs/dbraw/zinc/71/92/55/985719255.db2.gz AZKIWHXLFACIRV-DHIUTWEWSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000462784247 985719269 /nfs/dbraw/zinc/71/92/69/985719269.db2.gz AZKIWHXLFACIRV-DHIUTWEWSA-N 2 2 410.558 3.615 20 0 HHADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000443565886 985739815 /nfs/dbraw/zinc/73/98/15/985739815.db2.gz OVPADWQQRWSOAV-UHFFFAOYSA-N 2 2 419.013 3.794 20 0 HHADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000443565886 985739831 /nfs/dbraw/zinc/73/98/31/985739831.db2.gz OVPADWQQRWSOAV-UHFFFAOYSA-N 2 2 419.013 3.794 20 0 HHADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC[N@@H+]1C ZINC000468102222 985762469 /nfs/dbraw/zinc/76/24/69/985762469.db2.gz DHMYLKWYZGZAMZ-ROUUACIJSA-N 2 2 415.578 3.929 20 0 HHADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC[N@H+]1C ZINC000468102222 985762491 /nfs/dbraw/zinc/76/24/91/985762491.db2.gz DHMYLKWYZGZAMZ-ROUUACIJSA-N 2 2 415.578 3.929 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000462898216 985826025 /nfs/dbraw/zinc/82/60/25/985826025.db2.gz VZVAZANCBLDJIX-UHFFFAOYSA-N 2 2 407.967 3.971 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000463133850 986100341 /nfs/dbraw/zinc/10/03/41/986100341.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000463133850 986100347 /nfs/dbraw/zinc/10/03/47/986100347.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133850 986100353 /nfs/dbraw/zinc/10/03/53/986100353.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133850 986100362 /nfs/dbraw/zinc/10/03/62/986100362.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 2 2 411.590 3.949 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468411534 986110143 /nfs/dbraw/zinc/11/01/43/986110143.db2.gz ITGIQMGGVSSNQB-SFTDATJTSA-N 2 2 407.549 3.962 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468411534 986110145 /nfs/dbraw/zinc/11/01/45/986110145.db2.gz ITGIQMGGVSSNQB-SFTDATJTSA-N 2 2 407.549 3.962 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000463197926 986170094 /nfs/dbraw/zinc/17/00/94/986170094.db2.gz KLFRVWMYBOWGJY-IEBWSBKVSA-N 2 2 404.580 3.812 20 0 HHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(Br)cc1 ZINC000463236781 986205114 /nfs/dbraw/zinc/20/51/14/986205114.db2.gz JMNHRWLAHIOMID-OAHLLOKOSA-N 2 2 423.317 3.607 20 0 HHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1cccc(Br)c1 ZINC000463237412 986206067 /nfs/dbraw/zinc/20/60/67/986206067.db2.gz PJZNBCXRNRLZBF-OAHLLOKOSA-N 2 2 423.317 3.607 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Cl ZINC000463252818 986220907 /nfs/dbraw/zinc/22/09/07/986220907.db2.gz VSQOUEODMWCGSR-UHFFFAOYSA-N 2 2 424.969 3.679 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCN1C1CCCCC1 ZINC000463282515 986249509 /nfs/dbraw/zinc/24/95/09/986249509.db2.gz NAWNYWFCOJKMLK-HSZRJFAPSA-N 2 2 401.570 3.746 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191228 986368766 /nfs/dbraw/zinc/36/87/66/986368766.db2.gz OYKAKIQKBVYQCX-KNQAVFIVSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191228 986368773 /nfs/dbraw/zinc/36/87/73/986368773.db2.gz OYKAKIQKBVYQCX-KNQAVFIVSA-N 2 2 409.578 3.741 20 0 HHADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210489 986391712 /nfs/dbraw/zinc/39/17/12/986391712.db2.gz HSHMAIVUZDNFAC-PXNSSMCTSA-N 2 2 407.505 3.591 20 0 HHADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210489 986391722 /nfs/dbraw/zinc/39/17/22/986391722.db2.gz HSHMAIVUZDNFAC-PXNSSMCTSA-N 2 2 407.505 3.591 20 0 HHADLP O=C1[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221406 986406989 /nfs/dbraw/zinc/40/69/89/986406989.db2.gz DMKIZGKIIWXTOG-FXAWDEMLSA-N 2 2 407.505 3.734 20 0 HHADLP O=C1[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444221406 986406999 /nfs/dbraw/zinc/40/69/99/986406999.db2.gz DMKIZGKIIWXTOG-FXAWDEMLSA-N 2 2 407.505 3.734 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468733083 986445989 /nfs/dbraw/zinc/44/59/89/986445989.db2.gz GKLKPMVQDNJVOL-QUCCMNQESA-N 2 2 414.516 3.613 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468733083 986445991 /nfs/dbraw/zinc/44/59/91/986445991.db2.gz GKLKPMVQDNJVOL-QUCCMNQESA-N 2 2 414.516 3.613 20 0 HHADLP CSC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[NH+](C)CC1 ZINC000463686415 986669380 /nfs/dbraw/zinc/66/93/80/986669380.db2.gz NVDNSPOWHPTIHE-UHFFFAOYSA-N 2 2 413.591 3.835 20 0 HHADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](C)O1 ZINC000463687573 986671288 /nfs/dbraw/zinc/67/12/88/986671288.db2.gz SKRIRRUEQAYVLI-HDICACEKSA-N 2 2 411.550 3.507 20 0 HHADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](C)O1 ZINC000463687573 986671295 /nfs/dbraw/zinc/67/12/95/986671295.db2.gz SKRIRRUEQAYVLI-HDICACEKSA-N 2 2 411.550 3.507 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000444792071 986947581 /nfs/dbraw/zinc/94/75/81/986947581.db2.gz CTGRNABOQMWNOG-QGZVFWFLSA-N 2 2 404.474 3.813 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000444792071 986947592 /nfs/dbraw/zinc/94/75/92/986947592.db2.gz CTGRNABOQMWNOG-QGZVFWFLSA-N 2 2 404.474 3.813 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843441 987002218 /nfs/dbraw/zinc/00/22/18/987002218.db2.gz BKUUXNPTNVXZPZ-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843441 987002227 /nfs/dbraw/zinc/00/22/27/987002227.db2.gz BKUUXNPTNVXZPZ-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC2)CC1 ZINC000444925154 987072059 /nfs/dbraw/zinc/07/20/59/987072059.db2.gz UDXMOPUQCXBKCL-UHFFFAOYSA-N 2 2 424.536 3.822 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011551 987142880 /nfs/dbraw/zinc/14/28/80/987142880.db2.gz MXMRDSWTDBMKFY-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011551 987142884 /nfs/dbraw/zinc/14/28/84/987142884.db2.gz MXMRDSWTDBMKFY-UXHICEINSA-N 2 2 406.546 3.635 20 0 HHADLP Cc1cccc(S(=O)(=O)CCC[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469765815 987418718 /nfs/dbraw/zinc/41/87/18/987418718.db2.gz VHRAMIGGUACJRY-SFTDATJTSA-N 2 2 414.615 3.905 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000469768319 987420913 /nfs/dbraw/zinc/42/09/13/987420913.db2.gz IVBAFTISFIKORU-GJYPPUQNSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000469768319 987420916 /nfs/dbraw/zinc/42/09/16/987420916.db2.gz IVBAFTISFIKORU-GJYPPUQNSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)[C@@H](C)C1 ZINC000469794575 987438175 /nfs/dbraw/zinc/43/81/75/987438175.db2.gz SMYAHZVYULNAPV-ZCNNSNEGSA-N 2 2 419.635 3.631 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)[C@@H](C)C1 ZINC000469794575 987438180 /nfs/dbraw/zinc/43/81/80/987438180.db2.gz SMYAHZVYULNAPV-ZCNNSNEGSA-N 2 2 419.635 3.631 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866102 987503572 /nfs/dbraw/zinc/50/35/72/987503572.db2.gz OTDCBNHABKLFFE-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866102 987503579 /nfs/dbraw/zinc/50/35/79/987503579.db2.gz OTDCBNHABKLFFE-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000470102506 988004370 /nfs/dbraw/zinc/00/43/70/988004370.db2.gz CCFBZPTUHMVJRZ-UONOGXRCSA-N 2 2 403.162 3.510 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000470102506 988004383 /nfs/dbraw/zinc/00/43/83/988004383.db2.gz CCFBZPTUHMVJRZ-UONOGXRCSA-N 2 2 403.162 3.510 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000463961580 988073943 /nfs/dbraw/zinc/07/39/43/988073943.db2.gz BOUZKXUYLLWCQW-IBGZPJMESA-N 2 2 415.607 3.694 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000463961581 988074392 /nfs/dbraw/zinc/07/43/92/988074392.db2.gz BOUZKXUYLLWCQW-LJQANCHMSA-N 2 2 415.607 3.694 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438724 988410396 /nfs/dbraw/zinc/41/03/96/988410396.db2.gz QDUNKIFWJZALSO-KSZLIROESA-N 2 2 406.537 3.552 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438724 988410404 /nfs/dbraw/zinc/41/04/04/988410404.db2.gz QDUNKIFWJZALSO-KSZLIROESA-N 2 2 406.537 3.552 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811852 988873939 /nfs/dbraw/zinc/87/39/39/988873939.db2.gz JSXCWVFZCUHYQC-SKBVVQJISA-N 2 2 420.601 3.882 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811852 988873948 /nfs/dbraw/zinc/87/39/48/988873948.db2.gz JSXCWVFZCUHYQC-SKBVVQJISA-N 2 2 420.601 3.882 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811852 988873958 /nfs/dbraw/zinc/87/39/58/988873958.db2.gz JSXCWVFZCUHYQC-SKBVVQJISA-N 2 2 420.601 3.882 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811852 988873966 /nfs/dbraw/zinc/87/39/66/988873966.db2.gz JSXCWVFZCUHYQC-SKBVVQJISA-N 2 2 420.601 3.882 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470886861 988958529 /nfs/dbraw/zinc/95/85/29/988958529.db2.gz XYFJMWOCTYQUGG-PXNSSMCTSA-N 2 2 422.976 3.571 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470886861 988958534 /nfs/dbraw/zinc/95/85/34/988958534.db2.gz XYFJMWOCTYQUGG-PXNSSMCTSA-N 2 2 422.976 3.571 20 0 HHADLP CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804111 989032365 /nfs/dbraw/zinc/03/23/65/989032365.db2.gz CTPVAXXFKDIBJA-UHFFFAOYSA-N 2 2 414.516 3.667 20 0 HHADLP CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804111 989032380 /nfs/dbraw/zinc/03/23/80/989032380.db2.gz CTPVAXXFKDIBJA-UHFFFAOYSA-N 2 2 414.516 3.667 20 0 HHADLP CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805830 989036888 /nfs/dbraw/zinc/03/68/88/989036888.db2.gz MZEFZUFKARAMGK-UHFFFAOYSA-N 2 2 402.489 3.927 20 0 HHADLP CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805830 989036899 /nfs/dbraw/zinc/03/68/99/989036899.db2.gz MZEFZUFKARAMGK-UHFFFAOYSA-N 2 2 402.489 3.927 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464806798 989038092 /nfs/dbraw/zinc/03/80/92/989038092.db2.gz RILWVCAAWZGVQW-HSZRJFAPSA-N 2 2 414.619 3.709 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000464806798 989038104 /nfs/dbraw/zinc/03/81/04/989038104.db2.gz RILWVCAAWZGVQW-HSZRJFAPSA-N 2 2 414.619 3.709 20 0 HHADLP CC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809012 989042265 /nfs/dbraw/zinc/04/22/65/989042265.db2.gz YBCNSWWZIPBRMY-UHFFFAOYSA-N 2 2 414.981 3.632 20 0 HHADLP CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809012 989042275 /nfs/dbraw/zinc/04/22/75/989042275.db2.gz YBCNSWWZIPBRMY-UHFFFAOYSA-N 2 2 414.981 3.632 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860699 989115544 /nfs/dbraw/zinc/11/55/44/989115544.db2.gz ZLJWNUJHVMEAJW-ONTIZHBOSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860699 989115548 /nfs/dbraw/zinc/11/55/48/989115548.db2.gz ZLJWNUJHVMEAJW-ONTIZHBOSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860699 989115554 /nfs/dbraw/zinc/11/55/54/989115554.db2.gz ZLJWNUJHVMEAJW-ONTIZHBOSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860699 989115558 /nfs/dbraw/zinc/11/55/58/989115558.db2.gz ZLJWNUJHVMEAJW-ONTIZHBOSA-N 2 2 409.574 3.715 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(=Cc4ccccc4F)CC3)CC2)CC1 ZINC000464950782 989245600 /nfs/dbraw/zinc/24/56/00/989245600.db2.gz QJQIHSDXNHDSHV-UHFFFAOYSA-N 2 2 414.569 3.573 20 0 HHADLP C[N@H+](C[C@H](O)COc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176365 989305178 /nfs/dbraw/zinc/30/51/78/989305178.db2.gz GCCODJUJNKIDOE-DEOSSOPVSA-N 2 2 419.569 3.613 20 0 HHADLP C[N@@H+](C[C@H](O)COc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176365 989305188 /nfs/dbraw/zinc/30/51/88/989305188.db2.gz GCCODJUJNKIDOE-DEOSSOPVSA-N 2 2 419.569 3.613 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCSc2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000465401710 989749520 /nfs/dbraw/zinc/74/95/20/989749520.db2.gz GJPOWCNRGNFBED-UHFFFAOYSA-N 2 2 422.614 3.557 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000465525531 989882277 /nfs/dbraw/zinc/88/22/77/989882277.db2.gz XQXAANPUHNVYTK-IRLDBZIGSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000465525531 989882288 /nfs/dbraw/zinc/88/22/88/989882288.db2.gz XQXAANPUHNVYTK-IRLDBZIGSA-N 2 2 423.586 3.875 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000465526161 989883527 /nfs/dbraw/zinc/88/35/27/989883527.db2.gz OBYBZIQAXRGTPY-WOJBJXKFSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000465526161 989883533 /nfs/dbraw/zinc/88/35/33/989883533.db2.gz OBYBZIQAXRGTPY-WOJBJXKFSA-N 2 2 401.599 3.592 20 0 HHADLP CC(C)Oc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465526390 989883640 /nfs/dbraw/zinc/88/36/40/989883640.db2.gz ZLSXURGUPVMFBG-FQEVSTJZSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@@H+]1C ZINC000465537799 989900430 /nfs/dbraw/zinc/90/04/30/989900430.db2.gz CUYCPJLBAOXYLQ-GPMSIDNRSA-N 2 2 410.965 3.740 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000465537799 989900442 /nfs/dbraw/zinc/90/04/42/989900442.db2.gz CUYCPJLBAOXYLQ-GPMSIDNRSA-N 2 2 410.965 3.740 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465552364 989915050 /nfs/dbraw/zinc/91/50/50/989915050.db2.gz VJTAHILWCLCODD-OYRHEFFESA-N 2 2 415.626 3.698 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465552364 989915057 /nfs/dbraw/zinc/91/50/57/989915057.db2.gz VJTAHILWCLCODD-OYRHEFFESA-N 2 2 415.626 3.698 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccs1 ZINC000465570903 989939331 /nfs/dbraw/zinc/93/93/31/989939331.db2.gz LSTDFEVIGGPRKZ-GHTZIAJQSA-N 2 2 413.591 3.626 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccs1 ZINC000465570903 989939335 /nfs/dbraw/zinc/93/93/35/989939335.db2.gz LSTDFEVIGGPRKZ-GHTZIAJQSA-N 2 2 413.591 3.626 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000465586740 989961470 /nfs/dbraw/zinc/96/14/70/989961470.db2.gz BNAVMOQTQAQUDY-NRFANRHFSA-N 2 2 415.626 3.984 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000465586740 989961478 /nfs/dbraw/zinc/96/14/78/989961478.db2.gz BNAVMOQTQAQUDY-NRFANRHFSA-N 2 2 415.626 3.984 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465630957 990016947 /nfs/dbraw/zinc/01/69/47/990016947.db2.gz QQLAZWJLZARIFJ-DEOSSOPVSA-N 2 2 417.557 3.595 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465630957 990016954 /nfs/dbraw/zinc/01/69/54/990016954.db2.gz QQLAZWJLZARIFJ-DEOSSOPVSA-N 2 2 417.557 3.595 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465634924 990021067 /nfs/dbraw/zinc/02/10/67/990021067.db2.gz NPLWVLBMNKBIGQ-UHFFFAOYSA-N 2 2 415.626 3.984 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000465643269 990029834 /nfs/dbraw/zinc/02/98/34/990029834.db2.gz YQVRWHBVDSXZRL-UHFFFAOYSA-N 2 2 403.958 3.589 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465756341 990141502 /nfs/dbraw/zinc/14/15/02/990141502.db2.gz QGXQPIJVIBTTQZ-OAQYLSRUSA-N 2 2 421.520 3.675 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465756341 990141518 /nfs/dbraw/zinc/14/15/18/990141518.db2.gz QGXQPIJVIBTTQZ-OAQYLSRUSA-N 2 2 421.520 3.675 20 0 HHADLP Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465806795 990189385 /nfs/dbraw/zinc/18/93/85/990189385.db2.gz HBVWGIPSVLSCQS-UWJYYQICSA-N 2 2 402.583 3.629 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC000472062378 990225684 /nfs/dbraw/zinc/22/56/84/990225684.db2.gz JVHGOYCXINBXIV-LJQANCHMSA-N 2 2 410.587 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000472062378 990225693 /nfs/dbraw/zinc/22/56/93/990225693.db2.gz JVHGOYCXINBXIV-LJQANCHMSA-N 2 2 410.587 3.903 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(CCCc3ccccc3)CC[NH+](C)C)CC2)[nH+]c1 ZINC000465959792 991102577 /nfs/dbraw/zinc/10/25/77/991102577.db2.gz VTUYNMOOEACKNC-UHFFFAOYSA-N 2 2 423.605 3.565 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000465965966 991114270 /nfs/dbraw/zinc/11/42/70/991114270.db2.gz KKNXXXNBZTTXQN-OAQYLSRUSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000465965966 991114273 /nfs/dbraw/zinc/11/42/73/991114273.db2.gz KKNXXXNBZTTXQN-OAQYLSRUSA-N 2 2 421.589 3.665 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466019004 991186984 /nfs/dbraw/zinc/18/69/84/991186984.db2.gz PWULCWPTLZAQJL-FQEVSTJZSA-N 2 2 403.615 3.696 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000466076898 991250982 /nfs/dbraw/zinc/25/09/82/991250982.db2.gz KSFUGORKQYHDKF-XLIONFOSSA-N 2 2 416.591 3.993 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000466076898 991250988 /nfs/dbraw/zinc/25/09/88/991250988.db2.gz KSFUGORKQYHDKF-XLIONFOSSA-N 2 2 416.591 3.993 20 0 HHADLP Cc1ccc(C[C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466142759 991325075 /nfs/dbraw/zinc/32/50/75/991325075.db2.gz IAYFGFNEDRTZON-QHCPKHFHSA-N 2 2 412.622 3.662 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)([NH+]2CCCCC2)CC1 ZINC000466146236 991328948 /nfs/dbraw/zinc/32/89/48/991328948.db2.gz NVWYDKSWJRFANG-NRFANRHFSA-N 2 2 402.558 3.623 20 0 HHADLP CCCCOc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466152805 991339080 /nfs/dbraw/zinc/33/90/80/991339080.db2.gz GJOKGXIESWBZMN-UHFFFAOYSA-N 2 2 402.583 3.937 20 0 HHADLP O=C1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1Cc1ccccc1C(F)(F)F ZINC000466474158 991766166 /nfs/dbraw/zinc/76/61/66/991766166.db2.gz MUNSQVMYVOFWMH-HNNXBMFYSA-N 2 2 420.460 3.843 20 0 HHADLP CC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466739287 992047887 /nfs/dbraw/zinc/04/78/87/992047887.db2.gz JKTXTDXHADWIQP-GOSISDBHSA-N 2 2 401.555 3.937 20 0 HHADLP CC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466739287 992047901 /nfs/dbraw/zinc/04/79/01/992047901.db2.gz JKTXTDXHADWIQP-GOSISDBHSA-N 2 2 401.555 3.937 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC000467265720 992587058 /nfs/dbraw/zinc/58/70/58/992587058.db2.gz JPLXZPCPUZQCNT-UHFFFAOYSA-N 2 2 412.965 3.690 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287474 993303626 /nfs/dbraw/zinc/30/36/26/993303626.db2.gz ZWWHLOHKVVMIHA-ZBFHGGJFSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472287474 993303638 /nfs/dbraw/zinc/30/36/38/993303638.db2.gz ZWWHLOHKVVMIHA-ZBFHGGJFSA-N 2 2 402.366 3.753 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000472304781 993317181 /nfs/dbraw/zinc/31/71/81/993317181.db2.gz XRQXMPWFIRDFKB-HSZRJFAPSA-N 2 2 409.578 3.607 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000472304781 993317185 /nfs/dbraw/zinc/31/71/85/993317185.db2.gz XRQXMPWFIRDFKB-HSZRJFAPSA-N 2 2 409.578 3.607 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462778 993464818 /nfs/dbraw/zinc/46/48/18/993464818.db2.gz IIYIRACGVHCEIW-DENIHFKCSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462778 993464823 /nfs/dbraw/zinc/46/48/23/993464823.db2.gz IIYIRACGVHCEIW-DENIHFKCSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462778 993464830 /nfs/dbraw/zinc/46/48/30/993464830.db2.gz IIYIRACGVHCEIW-DENIHFKCSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462778 993464833 /nfs/dbraw/zinc/46/48/33/993464833.db2.gz IIYIRACGVHCEIW-DENIHFKCSA-N 2 2 423.601 3.859 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000480823428 993700330 /nfs/dbraw/zinc/70/03/30/993700330.db2.gz SLTBDSCVGSXLCZ-IIBYNOLFSA-N 2 2 408.571 3.583 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000480823428 993700342 /nfs/dbraw/zinc/70/03/42/993700342.db2.gz SLTBDSCVGSXLCZ-IIBYNOLFSA-N 2 2 408.571 3.583 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082058 993920599 /nfs/dbraw/zinc/92/05/99/993920599.db2.gz VTKAEDPDDDTDTD-KSSFIOAISA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082058 993920606 /nfs/dbraw/zinc/92/06/06/993920606.db2.gz VTKAEDPDDDTDTD-KSSFIOAISA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082059 993920964 /nfs/dbraw/zinc/92/09/64/993920964.db2.gz VTKAEDPDDDTDTD-RDTXWAMCSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082059 993920974 /nfs/dbraw/zinc/92/09/74/993920974.db2.gz VTKAEDPDDDTDTD-RDTXWAMCSA-N 2 2 407.345 3.787 20 0 HHADLP COc1ccccc1[C@H](CC(C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000473023736 993943867 /nfs/dbraw/zinc/94/38/67/993943867.db2.gz ODQCZDRWCKNFMX-QFIPXVFZSA-N 2 2 416.610 3.640 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190827 994023257 /nfs/dbraw/zinc/02/32/57/994023257.db2.gz PEZBVRNTGICDIR-JTAQYXEDSA-N 2 2 422.573 3.840 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190827 994023265 /nfs/dbraw/zinc/02/32/65/994023265.db2.gz PEZBVRNTGICDIR-JTAQYXEDSA-N 2 2 422.573 3.840 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195831 994029051 /nfs/dbraw/zinc/02/90/51/994029051.db2.gz YAWLRPKAGXIOAZ-UZLBHIALSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195831 994029060 /nfs/dbraw/zinc/02/90/60/994029060.db2.gz YAWLRPKAGXIOAZ-UZLBHIALSA-N 2 2 401.938 3.787 20 0 HHADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000481409143 994243317 /nfs/dbraw/zinc/24/33/17/994243317.db2.gz AJDBSQXWKZTQMP-IBGZPJMESA-N 2 2 401.576 3.584 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)cc1OC(F)F ZINC000481423082 994257858 /nfs/dbraw/zinc/25/78/58/994257858.db2.gz VEDOEYVWGBLVAC-INIZCTEOSA-N 2 2 424.463 3.989 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583350 994424808 /nfs/dbraw/zinc/42/48/08/994424808.db2.gz QFGLRLXHMIVZGL-VQTJNVASSA-N 2 2 419.573 3.956 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583350 994424814 /nfs/dbraw/zinc/42/48/14/994424814.db2.gz QFGLRLXHMIVZGL-VQTJNVASSA-N 2 2 419.573 3.956 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000473682701 994572529 /nfs/dbraw/zinc/57/25/29/994572529.db2.gz OFRUALBHQVXUEU-GOSISDBHSA-N 2 2 414.377 3.578 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473951131 994928515 /nfs/dbraw/zinc/92/85/15/994928515.db2.gz RFUYSQPJKMNUIO-OFNKIYASSA-N 2 2 421.589 3.917 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473951131 994928523 /nfs/dbraw/zinc/92/85/23/994928523.db2.gz RFUYSQPJKMNUIO-OFNKIYASSA-N 2 2 421.589 3.917 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000482032014 994948746 /nfs/dbraw/zinc/94/87/46/994948746.db2.gz GLBKLUNPEKALOP-UZLBHIALSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000482032014 994948758 /nfs/dbraw/zinc/94/87/58/994948758.db2.gz GLBKLUNPEKALOP-UZLBHIALSA-N 2 2 400.954 3.872 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034157 994952003 /nfs/dbraw/zinc/95/20/03/994952003.db2.gz VBTFEXRHQIAAKI-YKSBVNFPSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034157 994952016 /nfs/dbraw/zinc/95/20/16/994952016.db2.gz VBTFEXRHQIAAKI-YKSBVNFPSA-N 2 2 409.574 3.859 20 0 HHADLP O=C(CC[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482117036 995064288 /nfs/dbraw/zinc/06/42/88/995064288.db2.gz YXGOHZUDPXQNJV-SFHVURJKSA-N 2 2 416.978 3.600 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000482143226 995092859 /nfs/dbraw/zinc/09/28/59/995092859.db2.gz OKAWBWRBIZWDKJ-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000482143226 995092868 /nfs/dbraw/zinc/09/28/68/995092868.db2.gz OKAWBWRBIZWDKJ-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc(C2CC2)nc1-c1ccccc1 ZINC000482172087 995133186 /nfs/dbraw/zinc/13/31/86/995133186.db2.gz BZUHEGXMVYJNGS-UHFFFAOYSA-N 2 2 412.603 3.786 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc(C2CC2)nc1-c1ccccc1 ZINC000482172087 995133191 /nfs/dbraw/zinc/13/31/91/995133191.db2.gz BZUHEGXMVYJNGS-UHFFFAOYSA-N 2 2 412.603 3.786 20 0 HHADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000474221954 995216237 /nfs/dbraw/zinc/21/62/37/995216237.db2.gz VXQLIWOORINPGP-XMMPIXPASA-N 2 2 407.558 3.911 20 0 HHADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000474221954 995216247 /nfs/dbraw/zinc/21/62/47/995216247.db2.gz VXQLIWOORINPGP-XMMPIXPASA-N 2 2 407.558 3.911 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000482552818 995559688 /nfs/dbraw/zinc/55/96/88/995559688.db2.gz KNBVFFILFZNRKY-MSOLQXFVSA-N 2 2 422.552 3.878 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000482616851 995613385 /nfs/dbraw/zinc/61/33/85/995613385.db2.gz CDUZNCTXWXRBRH-CXAGYDPISA-N 2 2 406.983 3.762 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000482616851 995613389 /nfs/dbraw/zinc/61/33/89/995613389.db2.gz CDUZNCTXWXRBRH-CXAGYDPISA-N 2 2 406.983 3.762 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642051 995636995 /nfs/dbraw/zinc/63/69/95/995636995.db2.gz LVWVCCJUPBZSNW-XHDPSFHLSA-N 2 2 411.390 3.715 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642051 995637006 /nfs/dbraw/zinc/63/70/06/995637006.db2.gz LVWVCCJUPBZSNW-XHDPSFHLSA-N 2 2 411.390 3.715 20 0 HHADLP Fc1ccc(I)c(F)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000474898532 995787742 /nfs/dbraw/zinc/78/77/42/995787742.db2.gz XKMSHHPDFDRZHN-UHFFFAOYSA-N 2 2 403.214 3.556 20 0 HHADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000475146613 995953038 /nfs/dbraw/zinc/95/30/38/995953038.db2.gz XXCZUDDLSOFINL-LAUBAEHRSA-N 2 2 408.571 3.880 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)C2 ZINC000475176192 995972925 /nfs/dbraw/zinc/97/29/25/995972925.db2.gz ZGOIPRHTTWYVBG-LJQANCHMSA-N 2 2 421.589 3.809 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(N3CC[NH+](CC4CC4)CC3)c1)CC2 ZINC000475176192 995972934 /nfs/dbraw/zinc/97/29/34/995972934.db2.gz ZGOIPRHTTWYVBG-LJQANCHMSA-N 2 2 421.589 3.809 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC000475324041 996070847 /nfs/dbraw/zinc/07/08/47/996070847.db2.gz JIKRDQBFKYXEHO-LJQANCHMSA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC000475324041 996070851 /nfs/dbraw/zinc/07/08/51/996070851.db2.gz JIKRDQBFKYXEHO-LJQANCHMSA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([N@@H+]3CCc4ccccc4C3)CC1)CC2 ZINC000475324041 996070856 /nfs/dbraw/zinc/07/08/56/996070856.db2.gz JIKRDQBFKYXEHO-LJQANCHMSA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([N@H+]3CCc4ccccc4C3)CC1)CC2 ZINC000475324041 996070858 /nfs/dbraw/zinc/07/08/58/996070858.db2.gz JIKRDQBFKYXEHO-LJQANCHMSA-N 2 2 406.574 3.687 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000475421864 996128545 /nfs/dbraw/zinc/12/85/45/996128545.db2.gz BLUHKKVKYHJJGP-SJORKVTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000475421864 996128550 /nfs/dbraw/zinc/12/85/50/996128550.db2.gz BLUHKKVKYHJJGP-SJORKVTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000475421864 996128555 /nfs/dbraw/zinc/12/85/55/996128555.db2.gz BLUHKKVKYHJJGP-SJORKVTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000475421864 996128574 /nfs/dbraw/zinc/12/85/74/996128574.db2.gz BLUHKKVKYHJJGP-SJORKVTESA-N 2 2 400.592 3.728 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475488700 996173442 /nfs/dbraw/zinc/17/34/42/996173442.db2.gz WWKHEENHXFJMER-PKTZIBPZSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475488700 996173447 /nfs/dbraw/zinc/17/34/47/996173447.db2.gz WWKHEENHXFJMER-PKTZIBPZSA-N 2 2 418.601 3.737 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000483527535 996233996 /nfs/dbraw/zinc/23/39/96/996233996.db2.gz LHQFDZWWPKCPNP-DEOSSOPVSA-N 2 2 400.526 3.730 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000483527535 996234001 /nfs/dbraw/zinc/23/40/01/996234001.db2.gz LHQFDZWWPKCPNP-DEOSSOPVSA-N 2 2 400.526 3.730 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475631257 996263001 /nfs/dbraw/zinc/26/30/01/996263001.db2.gz AMDKVFOYYSDOBJ-INIZCTEOSA-N 2 2 409.290 3.964 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cccc(F)c2o1 ZINC000475719300 996321951 /nfs/dbraw/zinc/32/19/51/996321951.db2.gz GORTXFAKPJKTGH-MRXNPFEDSA-N 2 2 411.477 3.693 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730869 996330449 /nfs/dbraw/zinc/33/04/49/996330449.db2.gz SLWNIGWPEKWAPY-HYBUGGRVSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730869 996330452 /nfs/dbraw/zinc/33/04/52/996330452.db2.gz SLWNIGWPEKWAPY-HYBUGGRVSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730869 996330458 /nfs/dbraw/zinc/33/04/58/996330458.db2.gz SLWNIGWPEKWAPY-HYBUGGRVSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730869 996330472 /nfs/dbraw/zinc/33/04/72/996330472.db2.gz SLWNIGWPEKWAPY-HYBUGGRVSA-N 2 2 411.615 3.783 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732728 996331446 /nfs/dbraw/zinc/33/14/46/996331446.db2.gz RCOQVJONAYFMJR-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732728 996331451 /nfs/dbraw/zinc/33/14/51/996331451.db2.gz RCOQVJONAYFMJR-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475732728 996331459 /nfs/dbraw/zinc/33/14/59/996331459.db2.gz RCOQVJONAYFMJR-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475732728 996331464 /nfs/dbraw/zinc/33/14/64/996331464.db2.gz RCOQVJONAYFMJR-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000483868190 996436786 /nfs/dbraw/zinc/43/67/86/996436786.db2.gz JXFOWYYJAUNUAV-QHAWAJNXSA-N 2 2 414.594 3.636 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000483868190 996436788 /nfs/dbraw/zinc/43/67/88/996436788.db2.gz JXFOWYYJAUNUAV-QHAWAJNXSA-N 2 2 414.594 3.636 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(COc4ccccc4)cc3)CC2)CC1 ZINC000483921370 996470219 /nfs/dbraw/zinc/47/02/19/996470219.db2.gz VUTAQUCGZOTSHT-UHFFFAOYSA-N 2 2 422.573 3.946 20 0 HHADLP CC1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)CC1 ZINC000483937621 996478426 /nfs/dbraw/zinc/47/84/26/996478426.db2.gz FZNSVKQDJYHTJS-UHFFFAOYSA-N 2 2 413.610 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000476041486 996561210 /nfs/dbraw/zinc/56/12/10/996561210.db2.gz LDWZTZZUDCLKIQ-UHFFFAOYSA-N 2 2 412.484 3.746 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137408 996591942 /nfs/dbraw/zinc/59/19/42/996591942.db2.gz DJYCEWKHEULTJY-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137408 996591944 /nfs/dbraw/zinc/59/19/44/996591944.db2.gz DJYCEWKHEULTJY-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149106 996600022 /nfs/dbraw/zinc/60/00/22/996600022.db2.gz WFTVSXMRHQDGCA-HCYUJWNOSA-N 2 2 422.548 3.853 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cnn1-c1ccc(F)cc1 ZINC000484149106 996600026 /nfs/dbraw/zinc/60/00/26/996600026.db2.gz WFTVSXMRHQDGCA-HCYUJWNOSA-N 2 2 422.548 3.853 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154642 996603955 /nfs/dbraw/zinc/60/39/55/996603955.db2.gz CRBPKSYLGANJTF-AOMKIAJQSA-N 2 2 406.473 3.584 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154642 996603957 /nfs/dbraw/zinc/60/39/57/996603957.db2.gz CRBPKSYLGANJTF-AOMKIAJQSA-N 2 2 406.473 3.584 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476473524 996951373 /nfs/dbraw/zinc/95/13/73/996951373.db2.gz URZUQJKGRBJZOJ-LEWJYISDSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476473524 996951383 /nfs/dbraw/zinc/95/13/83/996951383.db2.gz URZUQJKGRBJZOJ-LEWJYISDSA-N 2 2 401.526 3.981 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484617917 996952087 /nfs/dbraw/zinc/95/20/87/996952087.db2.gz KWLXPVOLZSOURJ-AWRGLXIESA-N 2 2 409.574 3.806 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484617917 996952104 /nfs/dbraw/zinc/95/21/04/996952104.db2.gz KWLXPVOLZSOURJ-AWRGLXIESA-N 2 2 409.574 3.806 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(N3CC[NH+](C(C)C)CC3)c1)C2 ZINC000476534375 997024301 /nfs/dbraw/zinc/02/43/01/997024301.db2.gz FWQCHJIXAMNMJO-GOSISDBHSA-N 2 2 409.578 3.807 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(N3CC[NH+](C(C)C)CC3)c1)CC2 ZINC000476534375 997024317 /nfs/dbraw/zinc/02/43/17/997024317.db2.gz FWQCHJIXAMNMJO-GOSISDBHSA-N 2 2 409.578 3.807 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709617 997048798 /nfs/dbraw/zinc/04/87/98/997048798.db2.gz MYNKGTAQDXZBMH-CWFSZBLJSA-N 2 2 424.992 3.986 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709617 997048802 /nfs/dbraw/zinc/04/88/02/997048802.db2.gz MYNKGTAQDXZBMH-CWFSZBLJSA-N 2 2 424.992 3.986 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709618 997048929 /nfs/dbraw/zinc/04/89/29/997048929.db2.gz MYNKGTAQDXZBMH-RYGJVYDSSA-N 2 2 424.992 3.986 20 0 HHADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000484709618 997048937 /nfs/dbraw/zinc/04/89/37/997048937.db2.gz MYNKGTAQDXZBMH-RYGJVYDSSA-N 2 2 424.992 3.986 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476575531 997074181 /nfs/dbraw/zinc/07/41/81/997074181.db2.gz XZULWVRKPCQGKS-QAPCUYQASA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476575531 997074192 /nfs/dbraw/zinc/07/41/92/997074192.db2.gz XZULWVRKPCQGKS-QAPCUYQASA-N 2 2 412.484 3.650 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972665 997341802 /nfs/dbraw/zinc/34/18/02/997341802.db2.gz RIKZGQDBRQAJHQ-MTNREXPMSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972665 997341806 /nfs/dbraw/zinc/34/18/06/997341806.db2.gz RIKZGQDBRQAJHQ-MTNREXPMSA-N 2 2 418.630 3.963 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000476815608 997371875 /nfs/dbraw/zinc/37/18/75/997371875.db2.gz CHEMPOLYCVLIMX-OAHLLOKOSA-N 2 2 401.473 3.511 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000476828697 997388728 /nfs/dbraw/zinc/38/87/28/997388728.db2.gz YOUGQEAWYZMTNJ-WOJBJXKFSA-N 2 2 411.590 3.885 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485139751 997523521 /nfs/dbraw/zinc/52/35/21/997523521.db2.gz PZQLSEKRPWBFGH-OFNKIYASSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485139751 997523534 /nfs/dbraw/zinc/52/35/34/997523534.db2.gz PZQLSEKRPWBFGH-OFNKIYASSA-N 2 2 417.557 3.641 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049150 997687957 /nfs/dbraw/zinc/68/79/57/997687957.db2.gz MUHAGLZFZDISGT-VWLOTQADSA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049150 997687967 /nfs/dbraw/zinc/68/79/67/997687967.db2.gz MUHAGLZFZDISGT-VWLOTQADSA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049150 997687973 /nfs/dbraw/zinc/68/79/73/997687973.db2.gz MUHAGLZFZDISGT-VWLOTQADSA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049150 997687982 /nfs/dbraw/zinc/68/79/82/997687982.db2.gz MUHAGLZFZDISGT-VWLOTQADSA-N 2 2 402.542 3.866 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000477049068 997688022 /nfs/dbraw/zinc/68/80/22/997688022.db2.gz IYIJCWYUAZXKSB-QHCPKHFHSA-N 2 2 403.530 3.582 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000477049068 997688049 /nfs/dbraw/zinc/68/80/49/997688049.db2.gz IYIJCWYUAZXKSB-QHCPKHFHSA-N 2 2 403.530 3.582 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049148 997688433 /nfs/dbraw/zinc/68/84/33/997688433.db2.gz MUHAGLZFZDISGT-RUZDIDTESA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049148 997688442 /nfs/dbraw/zinc/68/84/42/997688442.db2.gz MUHAGLZFZDISGT-RUZDIDTESA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049148 997688447 /nfs/dbraw/zinc/68/84/47/997688447.db2.gz MUHAGLZFZDISGT-RUZDIDTESA-N 2 2 402.542 3.866 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccccc21 ZINC000477049148 997688451 /nfs/dbraw/zinc/68/84/51/997688451.db2.gz MUHAGLZFZDISGT-RUZDIDTESA-N 2 2 402.542 3.866 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292281 997693699 /nfs/dbraw/zinc/69/36/99/997693699.db2.gz MHBGMMTYLOZFFP-SFTDATJTSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292281 997693704 /nfs/dbraw/zinc/69/37/04/997693704.db2.gz MHBGMMTYLOZFFP-SFTDATJTSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292279 997694150 /nfs/dbraw/zinc/69/41/50/997694150.db2.gz MHBGMMTYLOZFFP-NHCUHLMSSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292279 997694158 /nfs/dbraw/zinc/69/41/58/997694158.db2.gz MHBGMMTYLOZFFP-NHCUHLMSSA-N 2 2 423.605 3.816 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccsc1 ZINC000485294456 997698695 /nfs/dbraw/zinc/69/86/95/997698695.db2.gz AGRRUDGQNAHVNZ-MJGOQNOKSA-N 2 2 403.596 3.529 20 0 HHADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396599 997824660 /nfs/dbraw/zinc/82/46/60/997824660.db2.gz MPTWIHFPPBQUFG-QFBILLFUSA-N 2 2 410.965 3.599 20 0 HHADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396599 997824684 /nfs/dbraw/zinc/82/46/84/997824684.db2.gz MPTWIHFPPBQUFG-QFBILLFUSA-N 2 2 410.965 3.599 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000477255707 997931983 /nfs/dbraw/zinc/93/19/83/997931983.db2.gz WJIQUQIDZSTZPP-LJQANCHMSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000477255707 997931995 /nfs/dbraw/zinc/93/19/95/997931995.db2.gz WJIQUQIDZSTZPP-LJQANCHMSA-N 2 2 422.976 3.713 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2NCc2ccco2)([NH+]2CCCCC2)CC1 ZINC000485508509 997965072 /nfs/dbraw/zinc/96/50/72/997965072.db2.gz FGVHKARISCPCEY-UHFFFAOYSA-N 2 2 410.562 3.572 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000477288489 997972413 /nfs/dbraw/zinc/97/24/13/997972413.db2.gz HJTFNESSZAZIRO-WOJBJXKFSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000477288489 997972422 /nfs/dbraw/zinc/97/24/22/997972422.db2.gz HJTFNESSZAZIRO-WOJBJXKFSA-N 2 2 422.976 3.713 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339030 998027427 /nfs/dbraw/zinc/02/74/27/998027427.db2.gz FOBASSGUEOUKBY-LEWJYISDSA-N 2 2 424.589 3.604 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339030 998027437 /nfs/dbraw/zinc/02/74/37/998027437.db2.gz FOBASSGUEOUKBY-LEWJYISDSA-N 2 2 424.589 3.604 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000477436969 998134196 /nfs/dbraw/zinc/13/41/96/998134196.db2.gz NVEJPDKXFGAJPR-JOCHJYFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000477436969 998134202 /nfs/dbraw/zinc/13/42/02/998134202.db2.gz NVEJPDKXFGAJPR-JOCHJYFZSA-N 2 2 401.501 3.697 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485810333 998277899 /nfs/dbraw/zinc/27/78/99/998277899.db2.gz AEXDBINXDPPHMC-CQSZACIVSA-N 2 2 402.340 3.524 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485810333 998277906 /nfs/dbraw/zinc/27/79/06/998277906.db2.gz AEXDBINXDPPHMC-CQSZACIVSA-N 2 2 402.340 3.524 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255964 998679210 /nfs/dbraw/zinc/67/92/10/998679210.db2.gz WBBGEJDTAOZTJE-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255964 998679212 /nfs/dbraw/zinc/67/92/12/998679212.db2.gz WBBGEJDTAOZTJE-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486330343 998714795 /nfs/dbraw/zinc/71/47/95/998714795.db2.gz DZNGIASMCWUEDM-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486330343 998714797 /nfs/dbraw/zinc/71/47/97/998714797.db2.gz DZNGIASMCWUEDM-HYBUGGRVSA-N 2 2 417.557 3.641 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000478254799 998848369 /nfs/dbraw/zinc/84/83/69/998848369.db2.gz JXFXNTZRGMIOMH-GOTSBHOMSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000478254799 998848375 /nfs/dbraw/zinc/84/83/75/998848375.db2.gz JXFXNTZRGMIOMH-GOTSBHOMSA-N 2 2 410.558 3.615 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000486757656 998926201 /nfs/dbraw/zinc/92/62/01/998926201.db2.gz BFBZYENVZQMOIT-UBFVSLLYSA-N 2 2 424.633 3.913 20 0 HHADLP CC(C)c1c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1-c1ccccc1 ZINC000486911271 999002748 /nfs/dbraw/zinc/00/27/48/999002748.db2.gz ZJKLZDGWAXUGGH-UHFFFAOYSA-N 2 2 424.593 3.676 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224340 999103016 /nfs/dbraw/zinc/10/30/16/999103016.db2.gz NVWJUKQOSMIADY-JOCHJYFZSA-N 2 2 411.521 3.954 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000487224340 999103017 /nfs/dbraw/zinc/10/30/17/999103017.db2.gz NVWJUKQOSMIADY-JOCHJYFZSA-N 2 2 411.521 3.954 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000487667073 999247094 /nfs/dbraw/zinc/24/70/94/999247094.db2.gz FLMZNDGHYRDGQE-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000487667073 999247096 /nfs/dbraw/zinc/24/70/96/999247096.db2.gz FLMZNDGHYRDGQE-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000479317008 999381672 /nfs/dbraw/zinc/38/16/72/999381672.db2.gz OCLXHWMOQWEZFQ-KRWDZBQOSA-N 2 2 418.548 3.557 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000479437311 999416888 /nfs/dbraw/zinc/41/68/88/999416888.db2.gz MCPOBKYPGANODS-LOSJGSFVSA-N 2 2 417.553 3.730 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000479437311 999416893 /nfs/dbraw/zinc/41/68/93/999416893.db2.gz MCPOBKYPGANODS-LOSJGSFVSA-N 2 2 417.553 3.730 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488616746 999547169 /nfs/dbraw/zinc/54/71/69/999547169.db2.gz WEQUMGCCEJEHNP-LEWJYISDSA-N 2 2 419.520 3.725 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488616746 999547172 /nfs/dbraw/zinc/54/71/72/999547172.db2.gz WEQUMGCCEJEHNP-LEWJYISDSA-N 2 2 419.520 3.725 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479770485 999582541 /nfs/dbraw/zinc/58/25/41/999582541.db2.gz FAEZWAJUJRSYBX-FGZHOGPDSA-N 2 2 420.548 3.806 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000479770485 999582545 /nfs/dbraw/zinc/58/25/45/999582545.db2.gz FAEZWAJUJRSYBX-FGZHOGPDSA-N 2 2 420.548 3.806 20 0 HHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000479875515 999632931 /nfs/dbraw/zinc/63/29/31/999632931.db2.gz QZAMBODZPNCKNG-HUVFLSCGSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCC1 ZINC000479875515 999632934 /nfs/dbraw/zinc/63/29/34/999632934.db2.gz QZAMBODZPNCKNG-HUVFLSCGSA-N 2 2 408.590 3.727 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccs1 ZINC000489095382 999698005 /nfs/dbraw/zinc/69/80/05/999698005.db2.gz AKJREUCEPDDPAY-SBHAEUEKSA-N 2 2 409.559 3.775 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000489330315 999746826 /nfs/dbraw/zinc/74/68/26/999746826.db2.gz NHKJUZQZNMTWCT-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000489330315 999746827 /nfs/dbraw/zinc/74/68/27/999746827.db2.gz NHKJUZQZNMTWCT-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000489332577 999747212 /nfs/dbraw/zinc/74/72/12/999747212.db2.gz TUEWFIHKOSNQTO-DENIHFKCSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000489332577 999747214 /nfs/dbraw/zinc/74/72/14/999747214.db2.gz TUEWFIHKOSNQTO-DENIHFKCSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000489337237 999748190 /nfs/dbraw/zinc/74/81/90/999748190.db2.gz XDMCKYZXKAWZSV-WOJBJXKFSA-N 2 2 424.589 3.894 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000489337237 999748192 /nfs/dbraw/zinc/74/81/92/999748192.db2.gz XDMCKYZXKAWZSV-WOJBJXKFSA-N 2 2 424.589 3.894 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(C)=O ZINC000480241721 999754507 /nfs/dbraw/zinc/75/45/07/999754507.db2.gz OCLSPRHRIJISRY-LJQANCHMSA-N 2 2 410.562 3.517 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000489398432 999758814 /nfs/dbraw/zinc/75/88/14/999758814.db2.gz XVKSWMSDWBZHIC-HSZRJFAPSA-N 2 2 410.537 3.779 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000489398432 999758816 /nfs/dbraw/zinc/75/88/16/999758816.db2.gz XVKSWMSDWBZHIC-HSZRJFAPSA-N 2 2 410.537 3.779 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000480263441 999758916 /nfs/dbraw/zinc/75/89/16/999758916.db2.gz ZFZMUHSLMMVZIA-FCHUYYIVSA-N 2 2 420.548 3.664 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000480263441 999758919 /nfs/dbraw/zinc/75/89/19/999758919.db2.gz ZFZMUHSLMMVZIA-FCHUYYIVSA-N 2 2 420.548 3.664 20 0 HHADLP COc1ccc([C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2nccn2C)cc1 ZINC000480342770 999775625 /nfs/dbraw/zinc/77/56/25/999775625.db2.gz IPQXXNXLXGOBNA-JPYJTQIMSA-N 2 2 408.546 3.809 20 0 HHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000489565429 999793245 /nfs/dbraw/zinc/79/32/45/999793245.db2.gz ZHYHOYWHMRSANK-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)CC1 ZINC000489584642 999797518 /nfs/dbraw/zinc/79/75/18/999797518.db2.gz MFWATLXWXHRXCM-UHFFFAOYSA-N 2 2 417.941 3.675 20 0 HHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480621932 999843229 /nfs/dbraw/zinc/84/32/29/999843229.db2.gz XTHVBWDMSFSJKT-KRWDZBQOSA-N 2 2 415.965 3.977 20 0 HHADLP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000480633780 999846467 /nfs/dbraw/zinc/84/64/67/999846467.db2.gz GPIWLTSZPPZAAI-UHFFFAOYSA-N 2 2 418.589 3.645 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836570 999846809 /nfs/dbraw/zinc/84/68/09/999846809.db2.gz RZFQUIBNBAZRMS-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836570 999846813 /nfs/dbraw/zinc/84/68/13/999846813.db2.gz RZFQUIBNBAZRMS-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000480662977 999853899 /nfs/dbraw/zinc/85/38/99/999853899.db2.gz BILMHCCFCBMBRQ-UHFFFAOYSA-N 2 2 415.788 3.601 20 0 HHADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000490130011 999897405 /nfs/dbraw/zinc/89/74/05/999897405.db2.gz IPEHBQPQGJAGPP-DEOSSOPVSA-N 2 2 423.582 3.853 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490152249 999900886 /nfs/dbraw/zinc/90/08/86/999900886.db2.gz MWNNACGOOIUILI-DHIUTWEWSA-N 2 2 423.605 3.573 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490152249 999900888 /nfs/dbraw/zinc/90/08/88/999900888.db2.gz MWNNACGOOIUILI-DHIUTWEWSA-N 2 2 423.605 3.573 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000490546754 999975496 /nfs/dbraw/zinc/97/54/96/999975496.db2.gz QVFRIPSZZMYHNS-QFIPXVFZSA-N 2 2 416.529 3.955 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC000490546754 999975499 /nfs/dbraw/zinc/97/54/99/999975499.db2.gz QVFRIPSZZMYHNS-QFIPXVFZSA-N 2 2 416.529 3.955 20 0 HHADLP CN(C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000490805087 1000008788 /nfs/dbraw/zinc/00/87/88/1000008788.db2.gz WMYVMFIJOJDYLY-PSWRPDDJSA-N 2 2 422.658 3.559 20 0 HHADLP CN(C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490805087 1000008789 /nfs/dbraw/zinc/00/87/89/1000008789.db2.gz WMYVMFIJOJDYLY-PSWRPDDJSA-N 2 2 422.658 3.559 20 0 HHADLP COc1ccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491018199 1000034244 /nfs/dbraw/zinc/03/42/44/1000034244.db2.gz HNKDROWVHCFQAK-GAJHUEQPSA-N 2 2 417.981 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491980686 1000103377 /nfs/dbraw/zinc/10/33/77/1000103377.db2.gz RZQAQVUYWYZSNP-IBGZPJMESA-N 2 2 410.566 3.835 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491980686 1000103378 /nfs/dbraw/zinc/10/33/78/1000103378.db2.gz RZQAQVUYWYZSNP-IBGZPJMESA-N 2 2 410.566 3.835 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)c2)cc[nH+]1 ZINC000494049625 1000284000 /nfs/dbraw/zinc/28/40/00/1000284000.db2.gz OBZXTSIDTIDYJH-MBSDFSHPSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)c2)cc[nH+]1 ZINC000494049625 1000284005 /nfs/dbraw/zinc/28/40/05/1000284005.db2.gz OBZXTSIDTIDYJH-MBSDFSHPSA-N 2 2 415.541 3.790 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000494215364 1000368307 /nfs/dbraw/zinc/36/83/07/1000368307.db2.gz HTMSPYNNRNEHBD-PKTZIBPZSA-N 2 2 419.529 3.874 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000504994623 1000494869 /nfs/dbraw/zinc/49/48/69/1000494869.db2.gz QZVUIAXFUNTPDU-HNAYVOBHSA-N 2 2 421.010 3.750 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000504994623 1000494874 /nfs/dbraw/zinc/49/48/74/1000494874.db2.gz QZVUIAXFUNTPDU-HNAYVOBHSA-N 2 2 421.010 3.750 20 0 HHADLP CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000494470987 1000510402 /nfs/dbraw/zinc/51/04/02/1000510402.db2.gz LRVIGGNMDOIFMB-UHFFFAOYSA-N 2 2 424.570 3.611 20 0 HHADLP COCCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494564641 1000556337 /nfs/dbraw/zinc/55/63/37/1000556337.db2.gz QVJIGWQRNLTXCK-UHFFFAOYSA-N 2 2 410.484 3.541 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000494993497 1000767470 /nfs/dbraw/zinc/76/74/70/1000767470.db2.gz BQKDDFXZWVNZRY-GGAORHGYSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000494993497 1000767476 /nfs/dbraw/zinc/76/74/76/1000767476.db2.gz BQKDDFXZWVNZRY-GGAORHGYSA-N 2 2 400.526 3.763 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999233 1000770803 /nfs/dbraw/zinc/77/08/03/1000770803.db2.gz OBRCFTWYKJRCBF-UTKZUKDTSA-N 2 2 406.530 3.798 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999233 1000770807 /nfs/dbraw/zinc/77/08/07/1000770807.db2.gz OBRCFTWYKJRCBF-UTKZUKDTSA-N 2 2 406.530 3.798 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000495005455 1000774303 /nfs/dbraw/zinc/77/43/03/1000774303.db2.gz OWXKQURUDBUGBK-MRXNPFEDSA-N 2 2 406.452 3.799 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000495005455 1000774310 /nfs/dbraw/zinc/77/43/10/1000774310.db2.gz OWXKQURUDBUGBK-MRXNPFEDSA-N 2 2 406.452 3.799 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000505577974 1000917427 /nfs/dbraw/zinc/91/74/27/1000917427.db2.gz CRWHSZOKIQAQFH-XMMPIXPASA-N 2 2 400.526 3.500 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000505577974 1000917431 /nfs/dbraw/zinc/91/74/31/1000917431.db2.gz CRWHSZOKIQAQFH-XMMPIXPASA-N 2 2 400.526 3.500 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850848 1001060454 /nfs/dbraw/zinc/06/04/54/1001060454.db2.gz JHDQUXRALWLEOV-VGLXENQISA-N 2 2 405.542 3.635 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1/C=C\c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850848 1001060462 /nfs/dbraw/zinc/06/04/62/1001060462.db2.gz JHDQUXRALWLEOV-VGLXENQISA-N 2 2 405.542 3.635 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCc1ccc(Br)cc1 ZINC000495775245 1001075702 /nfs/dbraw/zinc/07/57/02/1001075702.db2.gz RGWQYXIXAFBMDJ-UHFFFAOYSA-N 2 2 424.427 3.646 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCc1ccc(Br)cc1 ZINC000495775245 1001075707 /nfs/dbraw/zinc/07/57/07/1001075707.db2.gz RGWQYXIXAFBMDJ-UHFFFAOYSA-N 2 2 424.427 3.646 20 0 HHADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497049949 1001262409 /nfs/dbraw/zinc/26/24/09/1001262409.db2.gz SSIYRTNFRIYDQK-LJQANCHMSA-N 2 2 421.541 3.574 20 0 HHADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497049949 1001262414 /nfs/dbraw/zinc/26/24/14/1001262414.db2.gz SSIYRTNFRIYDQK-LJQANCHMSA-N 2 2 421.541 3.574 20 0 HHADLP CC(C)[C@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000497833580 1001529277 /nfs/dbraw/zinc/52/92/77/1001529277.db2.gz WCZQJGXEUTWISZ-FPOVZHCZSA-N 2 2 420.395 3.993 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498127051 1001653048 /nfs/dbraw/zinc/65/30/48/1001653048.db2.gz NEFYKDLADHKJSQ-IRFCIJBXSA-N 2 2 420.504 3.684 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000498127051 1001653050 /nfs/dbraw/zinc/65/30/50/1001653050.db2.gz NEFYKDLADHKJSQ-IRFCIJBXSA-N 2 2 420.504 3.684 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507056862 1001785250 /nfs/dbraw/zinc/78/52/50/1001785250.db2.gz JGZSWIKZAYMZOB-GMAHTHKFSA-N 2 2 421.589 3.946 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccccc1 ZINC000507075277 1001793713 /nfs/dbraw/zinc/79/37/13/1001793713.db2.gz VSPPRDPCTCZPNR-NRFANRHFSA-N 2 2 409.578 3.631 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccccc1 ZINC000507075277 1001793717 /nfs/dbraw/zinc/79/37/17/1001793717.db2.gz VSPPRDPCTCZPNR-NRFANRHFSA-N 2 2 409.578 3.631 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000498386647 1001816499 /nfs/dbraw/zinc/81/64/99/1001816499.db2.gz QOITYKAKGLNVQY-VXNXHJTFSA-N 2 2 424.633 3.914 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000498437549 1001867475 /nfs/dbraw/zinc/86/74/75/1001867475.db2.gz AZAFWWVSOPHJGE-UHFFFAOYSA-N 2 2 417.500 3.855 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000498437549 1001867488 /nfs/dbraw/zinc/86/74/88/1001867488.db2.gz AZAFWWVSOPHJGE-UHFFFAOYSA-N 2 2 417.500 3.855 20 0 HHADLP Fc1ccccc1SCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498550631 1001966981 /nfs/dbraw/zinc/96/69/81/1001966981.db2.gz XHVUZJIAFPQHOP-FQEVSTJZSA-N 2 2 414.594 3.847 20 0 HHADLP Fc1ccccc1SCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498550631 1001966992 /nfs/dbraw/zinc/96/69/92/1001966992.db2.gz XHVUZJIAFPQHOP-FQEVSTJZSA-N 2 2 414.594 3.847 20 0 HHADLP O=C(C[NH+]1CCC(OC2CCCC2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507357760 1002020523 /nfs/dbraw/zinc/02/05/23/1002020523.db2.gz JLAYQPKMGZYTOA-UHFFFAOYSA-N 2 2 417.619 3.598 20 0 HHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000507505617 1002117723 /nfs/dbraw/zinc/11/77/23/1002117723.db2.gz FIOXYPDZRDFICB-OAHLLOKOSA-N 2 2 412.418 3.863 20 0 HHADLP Fc1ccc(SCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498831542 1002216661 /nfs/dbraw/zinc/21/66/61/1002216661.db2.gz HTCHIYJWYNYLDH-FQEVSTJZSA-N 2 2 414.594 3.847 20 0 HHADLP Fc1ccc(SCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498831542 1002216666 /nfs/dbraw/zinc/21/66/66/1002216666.db2.gz HTCHIYJWYNYLDH-FQEVSTJZSA-N 2 2 414.594 3.847 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000499064767 1002448748 /nfs/dbraw/zinc/44/87/48/1002448748.db2.gz MXXCNDJXRIAPGZ-KRWDZBQOSA-N 2 2 416.323 3.765 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000499064767 1002448756 /nfs/dbraw/zinc/44/87/56/1002448756.db2.gz MXXCNDJXRIAPGZ-KRWDZBQOSA-N 2 2 416.323 3.765 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148178 1002532305 /nfs/dbraw/zinc/53/23/05/1002532305.db2.gz CAJDDTOXYAQCLF-OJXFFNQFSA-N 3 2 418.629 3.719 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148178 1002532314 /nfs/dbraw/zinc/53/23/14/1002532314.db2.gz CAJDDTOXYAQCLF-OJXFFNQFSA-N 3 2 418.629 3.719 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148178 1002532326 /nfs/dbraw/zinc/53/23/26/1002532326.db2.gz CAJDDTOXYAQCLF-OJXFFNQFSA-N 3 2 418.629 3.719 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)CC1 ZINC000499148178 1002532338 /nfs/dbraw/zinc/53/23/38/1002532338.db2.gz CAJDDTOXYAQCLF-OJXFFNQFSA-N 3 2 418.629 3.719 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(C[NH+]4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533298 /nfs/dbraw/zinc/53/32/98/1002533298.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(C[NH+]4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533310 /nfs/dbraw/zinc/53/33/10/1002533310.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000508046683 1002568891 /nfs/dbraw/zinc/56/88/91/1002568891.db2.gz LGNMIQNXIKBDJC-HSZRJFAPSA-N 2 2 401.595 3.678 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000508046683 1002568902 /nfs/dbraw/zinc/56/89/02/1002568902.db2.gz LGNMIQNXIKBDJC-HSZRJFAPSA-N 2 2 401.595 3.678 20 0 HHADLP O=C(NCCCCC[NH+]1CCCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000508107150 1002632615 /nfs/dbraw/zinc/63/26/15/1002632615.db2.gz SGLZSFGLFOSJHT-FQEVSTJZSA-N 2 2 422.411 3.968 20 0 HHADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccccc1OC ZINC000508577052 1003040414 /nfs/dbraw/zinc/04/04/14/1003040414.db2.gz FFRXOYJRSUAVDK-LJQANCHMSA-N 2 2 416.610 3.736 20 0 HHADLP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508975687 1003446898 /nfs/dbraw/zinc/44/68/98/1003446898.db2.gz GHIQZQABQPGMNG-QHCPKHFHSA-N 2 2 403.574 3.713 20 0 HHADLP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508975687 1003446901 /nfs/dbraw/zinc/44/69/01/1003446901.db2.gz GHIQZQABQPGMNG-QHCPKHFHSA-N 2 2 403.574 3.713 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)c1 ZINC000509263541 1003663705 /nfs/dbraw/zinc/66/37/05/1003663705.db2.gz LVOXHSQVLYBUEH-OAQYLSRUSA-N 2 2 416.610 3.596 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000509294493 1003689321 /nfs/dbraw/zinc/68/93/21/1003689321.db2.gz OLJXFCCPCCWNJI-SFTDATJTSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000509294493 1003689326 /nfs/dbraw/zinc/68/93/26/1003689326.db2.gz OLJXFCCPCCWNJI-SFTDATJTSA-N 2 2 416.610 3.738 20 0 HHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000500442067 1003720475 /nfs/dbraw/zinc/72/04/75/1003720475.db2.gz RODATUASTSXBMP-UHFFFAOYSA-N 2 2 401.679 3.695 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000500510869 1003754174 /nfs/dbraw/zinc/75/41/74/1003754174.db2.gz CKLNGYUBYGMYRP-FCHUYYIVSA-N 2 2 423.557 3.819 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000500510869 1003754177 /nfs/dbraw/zinc/75/41/77/1003754177.db2.gz CKLNGYUBYGMYRP-FCHUYYIVSA-N 2 2 423.557 3.819 20 0 HHADLP O=C(NCC[NH+]1CCCCC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509380210 1003809534 /nfs/dbraw/zinc/80/95/34/1003809534.db2.gz RRVWUPJNAVQJRG-UHFFFAOYSA-N 2 2 417.557 3.884 20 0 HHADLP O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839177 1003815866 /nfs/dbraw/zinc/81/58/66/1003815866.db2.gz UFLSXHAAXPRWTF-SDHSZQHLSA-N 2 2 419.569 3.725 20 0 HHADLP O=C(C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839177 1003815885 /nfs/dbraw/zinc/81/58/85/1003815885.db2.gz UFLSXHAAXPRWTF-SDHSZQHLSA-N 2 2 419.569 3.725 20 0 HHADLP O=C(CC[N@H+]1CC=C(c2ccccc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000509517225 1003917885 /nfs/dbraw/zinc/91/78/85/1003917885.db2.gz QMQIWYJVUUYMHA-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP O=C(CC[N@@H+]1CC=C(c2ccccc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000509517225 1003917891 /nfs/dbraw/zinc/91/78/91/1003917891.db2.gz QMQIWYJVUUYMHA-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000509587861 1003963956 /nfs/dbraw/zinc/96/39/56/1003963956.db2.gz MWBFBHLYMJHIFH-JOCHJYFZSA-N 2 2 403.574 3.794 20 0 HHADLP Cc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000512027538 1003964668 /nfs/dbraw/zinc/96/46/68/1003964668.db2.gz UUMLFBCBOOPVLM-UHFFFAOYSA-N 2 2 401.580 3.550 20 0 HHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000512046276 1003977999 /nfs/dbraw/zinc/97/79/99/1003977999.db2.gz SEBDOKKWJRCKEQ-UHFFFAOYSA-N 2 2 415.344 3.878 20 0 HHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000512046276 1003978008 /nfs/dbraw/zinc/97/80/08/1003978008.db2.gz SEBDOKKWJRCKEQ-UHFFFAOYSA-N 2 2 415.344 3.878 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3-c3ccnn3C)CC2)c1 ZINC000509736846 1004062196 /nfs/dbraw/zinc/06/21/96/1004062196.db2.gz UAYMZLHRGOXNNV-UHFFFAOYSA-N 2 2 403.574 3.697 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000509759674 1004076904 /nfs/dbraw/zinc/07/69/04/1004076904.db2.gz CWGQIZSLXLLZPO-IRLDBZIGSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000509759674 1004076915 /nfs/dbraw/zinc/07/69/15/1004076915.db2.gz CWGQIZSLXLLZPO-IRLDBZIGSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780438 1004092039 /nfs/dbraw/zinc/09/20/39/1004092039.db2.gz YYWQLZKHOBJOLR-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780438 1004092045 /nfs/dbraw/zinc/09/20/45/1004092045.db2.gz YYWQLZKHOBJOLR-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209416 1004110876 /nfs/dbraw/zinc/11/08/76/1004110876.db2.gz ATZALPMWHPVEFY-YADHBBJMSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209416 1004110883 /nfs/dbraw/zinc/11/08/83/1004110883.db2.gz ATZALPMWHPVEFY-YADHBBJMSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209416 1004110890 /nfs/dbraw/zinc/11/08/90/1004110890.db2.gz ATZALPMWHPVEFY-YADHBBJMSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209416 1004110895 /nfs/dbraw/zinc/11/08/95/1004110895.db2.gz ATZALPMWHPVEFY-YADHBBJMSA-N 2 2 413.606 3.774 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512256530 1004159155 /nfs/dbraw/zinc/15/91/55/1004159155.db2.gz BTALWRBPGXVRNR-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512256530 1004159163 /nfs/dbraw/zinc/15/91/63/1004159163.db2.gz BTALWRBPGXVRNR-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512256530 1004159166 /nfs/dbraw/zinc/15/91/66/1004159166.db2.gz BTALWRBPGXVRNR-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512256530 1004159171 /nfs/dbraw/zinc/15/91/71/1004159171.db2.gz BTALWRBPGXVRNR-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCC1)c1ccccc1 ZINC000512262418 1004164166 /nfs/dbraw/zinc/16/41/66/1004164166.db2.gz PWLSTEHOPVIZHM-RZUBCFFCSA-N 2 2 406.574 3.934 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512392119 1004265767 /nfs/dbraw/zinc/26/57/67/1004265767.db2.gz JCKBKZLMQHPGOX-SKWRMQMOSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000512392119 1004265775 /nfs/dbraw/zinc/26/57/75/1004265775.db2.gz JCKBKZLMQHPGOX-SKWRMQMOSA-N 2 2 409.578 3.776 20 0 HHADLP CCC(CC)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000512410201 1004278710 /nfs/dbraw/zinc/27/87/10/1004278710.db2.gz GAMZMPXPPHDTMP-FPOVZHCZSA-N 2 2 409.578 3.869 20 0 HHADLP c1c(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)onc1-c1ccccc1 ZINC000512428303 1004295169 /nfs/dbraw/zinc/29/51/69/1004295169.db2.gz RSXAFRFUJXWWNX-HSZRJFAPSA-N 2 2 402.542 3.734 20 0 HHADLP c1c(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)onc1-c1ccccc1 ZINC000512428303 1004295177 /nfs/dbraw/zinc/29/51/77/1004295177.db2.gz RSXAFRFUJXWWNX-HSZRJFAPSA-N 2 2 402.542 3.734 20 0 HHADLP Fc1ccc(-c2cc(C[NH+]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481754 1004334519 /nfs/dbraw/zinc/33/45/19/1004334519.db2.gz XXTAWUMGNARMHQ-QHCPKHFHSA-N 2 2 420.532 3.873 20 0 HHADLP Fc1ccc(-c2cc(C[NH+]3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481754 1004334544 /nfs/dbraw/zinc/33/45/44/1004334544.db2.gz XXTAWUMGNARMHQ-QHCPKHFHSA-N 2 2 420.532 3.873 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472112 /nfs/dbraw/zinc/47/21/12/1004472112.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661169 1004472118 /nfs/dbraw/zinc/47/21/18/1004472118.db2.gz QFYNDDHECLMNKS-CCDWMCETSA-N 3 2 411.634 3.912 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000512662774 1004472718 /nfs/dbraw/zinc/47/27/18/1004472718.db2.gz AOOLIKWYSBKKBP-FGZHOGPDSA-N 2 2 423.649 3.847 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000512691008 1004497667 /nfs/dbraw/zinc/49/76/67/1004497667.db2.gz QPIITWUHWDSZLO-VXKWHMMOSA-N 2 2 408.590 3.651 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000512844486 1004605730 /nfs/dbraw/zinc/60/57/30/1004605730.db2.gz ILKPBDJZXVUWGM-SFHVURJKSA-N 2 2 421.467 3.523 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000512844486 1004605735 /nfs/dbraw/zinc/60/57/35/1004605735.db2.gz ILKPBDJZXVUWGM-SFHVURJKSA-N 2 2 421.467 3.523 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510513706 1004637854 /nfs/dbraw/zinc/63/78/54/1004637854.db2.gz IURVBMHEWTWGSM-UHFFFAOYSA-N 2 2 417.557 3.722 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510513706 1004637859 /nfs/dbraw/zinc/63/78/59/1004637859.db2.gz IURVBMHEWTWGSM-UHFFFAOYSA-N 2 2 417.557 3.722 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510592021 1004739244 /nfs/dbraw/zinc/73/92/44/1004739244.db2.gz OPGDDMNFJIARAR-HGJUEJDCSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510592021 1004739248 /nfs/dbraw/zinc/73/92/48/1004739248.db2.gz OPGDDMNFJIARAR-HGJUEJDCSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510592021 1004739252 /nfs/dbraw/zinc/73/92/52/1004739252.db2.gz OPGDDMNFJIARAR-HGJUEJDCSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510592021 1004739259 /nfs/dbraw/zinc/73/92/59/1004739259.db2.gz OPGDDMNFJIARAR-HGJUEJDCSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000513055565 1004782221 /nfs/dbraw/zinc/78/22/21/1004782221.db2.gz AYPLKUGDKHHHQD-NQIIRXRSSA-N 2 2 421.651 3.896 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000510857505 1004894741 /nfs/dbraw/zinc/89/47/41/1004894741.db2.gz RDVHNGJKNUDACK-LJQANCHMSA-N 2 2 407.558 3.687 20 0 HHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000513332203 1004915534 /nfs/dbraw/zinc/91/55/34/1004915534.db2.gz YKPJBMKEJWYWGD-UHFFFAOYSA-N 2 2 419.566 3.979 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513405252 1004947467 /nfs/dbraw/zinc/94/74/67/1004947467.db2.gz FUQAQXJTYHMMPK-DWQJTFDBSA-N 2 2 406.574 3.665 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513405252 1004947470 /nfs/dbraw/zinc/94/74/70/1004947470.db2.gz FUQAQXJTYHMMPK-DWQJTFDBSA-N 2 2 406.574 3.665 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513456701 1004974940 /nfs/dbraw/zinc/97/49/40/1004974940.db2.gz RLYAONHRKXCZDE-UHFFFAOYSA-N 2 2 404.514 3.902 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513456701 1004974950 /nfs/dbraw/zinc/97/49/50/1004974950.db2.gz RLYAONHRKXCZDE-UHFFFAOYSA-N 2 2 404.514 3.902 20 0 HHADLP Cc1cc(Br)cc2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000511091203 1005014515 /nfs/dbraw/zinc/01/45/15/1005014515.db2.gz LILIFYARCHUNEZ-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1cc(Br)cc2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000511091203 1005014522 /nfs/dbraw/zinc/01/45/22/1005014522.db2.gz LILIFYARCHUNEZ-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OCCC(C)C ZINC000513643757 1005063491 /nfs/dbraw/zinc/06/34/91/1005063491.db2.gz WVUGVVNAJBSDEB-QFIPXVFZSA-N 2 2 403.611 3.722 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OCCC(C)C ZINC000513643757 1005063500 /nfs/dbraw/zinc/06/35/00/1005063500.db2.gz WVUGVVNAJBSDEB-QFIPXVFZSA-N 2 2 403.611 3.722 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)CC1 ZINC000513647806 1005065217 /nfs/dbraw/zinc/06/52/17/1005065217.db2.gz MEQXEQQNKLHPMZ-UHFFFAOYSA-N 2 2 418.632 3.638 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000511192398 1005068149 /nfs/dbraw/zinc/06/81/49/1005068149.db2.gz URCFIQRAQDYSDB-AZUAARDMSA-N 2 2 420.479 3.878 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000513683380 1005080919 /nfs/dbraw/zinc/08/09/19/1005080919.db2.gz JVBCIQHLNFFLRR-GMKZXUHWSA-N 2 2 412.599 3.741 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000513683380 1005080926 /nfs/dbraw/zinc/08/09/26/1005080926.db2.gz JVBCIQHLNFFLRR-GMKZXUHWSA-N 2 2 412.599 3.741 20 0 HHADLP CC[C@@H]1C[C@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C)c1 ZINC000502495448 1005091765 /nfs/dbraw/zinc/09/17/65/1005091765.db2.gz MZPWNSZFDKMNSO-PXDATVDWSA-N 2 2 407.558 3.681 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272840 1005102231 /nfs/dbraw/zinc/10/22/31/1005102231.db2.gz KCOIINLXPNUREU-RTBURBONSA-N 2 2 420.601 3.996 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272840 1005102234 /nfs/dbraw/zinc/10/22/34/1005102234.db2.gz KCOIINLXPNUREU-RTBURBONSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2C1 ZINC000511272840 1005102236 /nfs/dbraw/zinc/10/22/36/1005102236.db2.gz KCOIINLXPNUREU-RTBURBONSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2C1 ZINC000511272840 1005102238 /nfs/dbraw/zinc/10/22/38/1005102238.db2.gz KCOIINLXPNUREU-RTBURBONSA-N 2 2 420.601 3.996 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511283917 1005106868 /nfs/dbraw/zinc/10/68/68/1005106868.db2.gz FWDIIJKIDBCJOB-DWLFOUALSA-N 2 2 401.620 3.546 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511283917 1005106871 /nfs/dbraw/zinc/10/68/71/1005106871.db2.gz FWDIIJKIDBCJOB-DWLFOUALSA-N 2 2 401.620 3.546 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1)C1CC1 ZINC000511420856 1005169316 /nfs/dbraw/zinc/16/93/16/1005169316.db2.gz HTNYBTXEIACDET-UHFFFAOYSA-N 2 2 421.589 3.855 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1)C1CC1 ZINC000511420856 1005169318 /nfs/dbraw/zinc/16/93/18/1005169318.db2.gz HTNYBTXEIACDET-UHFFFAOYSA-N 2 2 421.589 3.855 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513998033 1005220863 /nfs/dbraw/zinc/22/08/63/1005220863.db2.gz YIBRNWNIJDFAOK-OAQYLSRUSA-N 2 2 415.990 3.676 20 0 HHADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000502796266 1005221490 /nfs/dbraw/zinc/22/14/90/1005221490.db2.gz OUHSPUPJTRTNHQ-OAHLLOKOSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000502796266 1005221494 /nfs/dbraw/zinc/22/14/94/1005221494.db2.gz OUHSPUPJTRTNHQ-OAHLLOKOSA-N 2 2 413.393 3.693 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000514021485 1005231377 /nfs/dbraw/zinc/23/13/77/1005231377.db2.gz ACGTUYPXTQQAFI-UHFFFAOYSA-N 2 2 409.509 3.853 20 0 HHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000514061908 1005249231 /nfs/dbraw/zinc/24/92/31/1005249231.db2.gz QBFHPVPIYKKRDV-UHFFFAOYSA-N 2 2 409.578 3.637 20 0 HHADLP O=C(CC[N@H+](Cc1ccc2ccccc2c1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000514099888 1005265135 /nfs/dbraw/zinc/26/51/35/1005265135.db2.gz RZJREMFTCZYLHG-UHFFFAOYSA-N 2 2 414.553 3.938 20 0 HHADLP O=C(CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000514099888 1005265140 /nfs/dbraw/zinc/26/51/40/1005265140.db2.gz RZJREMFTCZYLHG-UHFFFAOYSA-N 2 2 414.553 3.938 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000502910611 1005270610 /nfs/dbraw/zinc/27/06/10/1005270610.db2.gz LTLHUZWFZVAUIS-IBGZPJMESA-N 2 2 405.546 3.860 20 0 HHADLP CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514132397 1005281546 /nfs/dbraw/zinc/28/15/46/1005281546.db2.gz KKPUHYLATQMVDE-FQEVSTJZSA-N 2 2 409.574 3.686 20 0 HHADLP CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514132397 1005281548 /nfs/dbraw/zinc/28/15/48/1005281548.db2.gz KKPUHYLATQMVDE-FQEVSTJZSA-N 2 2 409.574 3.686 20 0 HHADLP CCC1(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000514201871 1005310309 /nfs/dbraw/zinc/31/03/09/1005310309.db2.gz NTQRSUMJEMWEBC-JOCHJYFZSA-N 2 2 423.605 3.790 20 0 HHADLP CCC1(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000514201871 1005310313 /nfs/dbraw/zinc/31/03/13/1005310313.db2.gz NTQRSUMJEMWEBC-JOCHJYFZSA-N 2 2 423.605 3.790 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000503057396 1005330599 /nfs/dbraw/zinc/33/05/99/1005330599.db2.gz BQLIRZZRQLYJIY-NRFANRHFSA-N 2 2 412.603 3.583 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000503057396 1005330605 /nfs/dbraw/zinc/33/06/05/1005330605.db2.gz BQLIRZZRQLYJIY-NRFANRHFSA-N 2 2 412.603 3.583 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503066193 1005335299 /nfs/dbraw/zinc/33/52/99/1005335299.db2.gz ZDQAYZMZMHEXND-FGCOXFRFSA-N 2 2 402.542 3.866 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503066193 1005335305 /nfs/dbraw/zinc/33/53/05/1005335305.db2.gz ZDQAYZMZMHEXND-FGCOXFRFSA-N 2 2 402.542 3.866 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077461 1005341065 /nfs/dbraw/zinc/34/10/65/1005341065.db2.gz YPAMVYCEZUVTLU-JXQFQVJHSA-N 2 2 420.557 3.975 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077461 1005341069 /nfs/dbraw/zinc/34/10/69/1005341069.db2.gz YPAMVYCEZUVTLU-JXQFQVJHSA-N 2 2 420.557 3.975 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503079423 1005341718 /nfs/dbraw/zinc/34/17/18/1005341718.db2.gz DIYGPPMYSOEXEA-GBXCKJPGSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503079423 1005341719 /nfs/dbraw/zinc/34/17/19/1005341719.db2.gz DIYGPPMYSOEXEA-GBXCKJPGSA-N 2 2 418.541 3.661 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503095235 1005345926 /nfs/dbraw/zinc/34/59/26/1005345926.db2.gz MEHZCXMHHUXOJN-LKUPVBHCSA-N 2 2 406.534 3.596 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503095235 1005345928 /nfs/dbraw/zinc/34/59/28/1005345928.db2.gz MEHZCXMHHUXOJN-LKUPVBHCSA-N 2 2 406.534 3.596 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000503146842 1005356897 /nfs/dbraw/zinc/35/68/97/1005356897.db2.gz NZYREZCXFUXVOV-RUZDIDTESA-N 2 2 414.553 3.716 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000503146842 1005356900 /nfs/dbraw/zinc/35/69/00/1005356900.db2.gz NZYREZCXFUXVOV-RUZDIDTESA-N 2 2 414.553 3.716 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503356983 1005397103 /nfs/dbraw/zinc/39/71/03/1005397103.db2.gz UFGXHQUNUPGHQC-HXUWFJFHSA-N 2 2 422.411 3.823 20 0 HHADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503375705 1005401729 /nfs/dbraw/zinc/40/17/29/1005401729.db2.gz MADVCHULPLMFBU-OAQYLSRUSA-N 2 2 424.589 3.553 20 0 HHADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503375705 1005401731 /nfs/dbraw/zinc/40/17/31/1005401731.db2.gz MADVCHULPLMFBU-OAQYLSRUSA-N 2 2 424.589 3.553 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379001 1005402670 /nfs/dbraw/zinc/40/26/70/1005402670.db2.gz UIKSGEVQCBWGAU-FUHWJXTLSA-N 2 2 416.516 3.897 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379001 1005402671 /nfs/dbraw/zinc/40/26/71/1005402671.db2.gz UIKSGEVQCBWGAU-FUHWJXTLSA-N 2 2 416.516 3.897 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000503431564 1005418480 /nfs/dbraw/zinc/41/84/80/1005418480.db2.gz GAMYQYMOEHLJHO-HXUWFJFHSA-N 2 2 401.942 3.720 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437007 1005420231 /nfs/dbraw/zinc/42/02/31/1005420231.db2.gz LQWWXRJMCZVEBQ-IPMKNSEASA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437007 1005420233 /nfs/dbraw/zinc/42/02/33/1005420233.db2.gz LQWWXRJMCZVEBQ-IPMKNSEASA-N 2 2 410.562 3.673 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000503724541 1005485986 /nfs/dbraw/zinc/48/59/86/1005485986.db2.gz JGOJXNKUCMIKDV-GOSISDBHSA-N 2 2 400.592 3.705 20 0 HHADLP Cc1ccc(-c2ncco2)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000534016072 1005986002 /nfs/dbraw/zinc/98/60/02/1005986002.db2.gz BNVZIDSXCUSYJB-UHFFFAOYSA-N 2 2 411.550 3.722 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534053884 1006022775 /nfs/dbraw/zinc/02/27/75/1006022775.db2.gz JNSKLLHVJPDWRA-ZJOUEHCJSA-N 2 2 416.953 3.815 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534053884 1006022784 /nfs/dbraw/zinc/02/27/84/1006022784.db2.gz JNSKLLHVJPDWRA-ZJOUEHCJSA-N 2 2 416.953 3.815 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000531191079 1006036985 /nfs/dbraw/zinc/03/69/85/1006036985.db2.gz LSZNSVKECKEBEA-UHFFFAOYSA-N 3 2 404.002 3.616 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000531191079 1006036999 /nfs/dbraw/zinc/03/69/99/1006036999.db2.gz LSZNSVKECKEBEA-UHFFFAOYSA-N 3 2 404.002 3.616 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194037 1006184025 /nfs/dbraw/zinc/18/40/25/1006184025.db2.gz KJQTXIASMCWJBV-NHCUHLMSSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194037 1006184030 /nfs/dbraw/zinc/18/40/30/1006184030.db2.gz KJQTXIASMCWJBV-NHCUHLMSSA-N 2 2 402.583 3.886 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236397 1006240911 /nfs/dbraw/zinc/24/09/11/1006240911.db2.gz VIGOEDJKGDLHHI-XLIONFOSSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236397 1006240924 /nfs/dbraw/zinc/24/09/24/1006240924.db2.gz VIGOEDJKGDLHHI-XLIONFOSSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236258 1006241119 /nfs/dbraw/zinc/24/11/19/1006241119.db2.gz RMPUUKJETQRYFO-FXAWDEMLSA-N 2 2 421.948 3.709 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236258 1006241134 /nfs/dbraw/zinc/24/11/34/1006241134.db2.gz RMPUUKJETQRYFO-FXAWDEMLSA-N 2 2 421.948 3.709 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236259 1006241497 /nfs/dbraw/zinc/24/14/97/1006241497.db2.gz RMPUUKJETQRYFO-PXNSSMCTSA-N 2 2 421.948 3.709 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236259 1006241505 /nfs/dbraw/zinc/24/15/05/1006241505.db2.gz RMPUUKJETQRYFO-PXNSSMCTSA-N 2 2 421.948 3.709 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357531 1006318578 /nfs/dbraw/zinc/31/85/78/1006318578.db2.gz BMTQQBFTEJNRQK-NJYVYQBISA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357531 1006318597 /nfs/dbraw/zinc/31/85/97/1006318597.db2.gz BMTQQBFTEJNRQK-NJYVYQBISA-N 2 2 403.636 3.964 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359133 1006321737 /nfs/dbraw/zinc/32/17/37/1006321737.db2.gz GAVHACDGBNTXAR-NZSAHSFTSA-N 2 2 422.639 3.568 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359133 1006321744 /nfs/dbraw/zinc/32/17/44/1006321744.db2.gz GAVHACDGBNTXAR-NZSAHSFTSA-N 2 2 422.639 3.568 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359131 1006322120 /nfs/dbraw/zinc/32/21/20/1006322120.db2.gz GAVHACDGBNTXAR-NEWSRXKRSA-N 2 2 422.639 3.568 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359131 1006322129 /nfs/dbraw/zinc/32/21/29/1006322129.db2.gz GAVHACDGBNTXAR-NEWSRXKRSA-N 2 2 422.639 3.568 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360407 1006324509 /nfs/dbraw/zinc/32/45/09/1006324509.db2.gz WNTLBXBPNKOEMC-YGOYIFOWSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360407 1006324519 /nfs/dbraw/zinc/32/45/19/1006324519.db2.gz WNTLBXBPNKOEMC-YGOYIFOWSA-N 2 2 415.622 3.984 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382745 1006354586 /nfs/dbraw/zinc/35/45/86/1006354586.db2.gz BVAVJKBMICSQTF-LEOXJPRUSA-N 2 2 418.601 3.735 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382745 1006354599 /nfs/dbraw/zinc/35/45/99/1006354599.db2.gz BVAVJKBMICSQTF-LEOXJPRUSA-N 2 2 418.601 3.735 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1 ZINC000531722455 1006379253 /nfs/dbraw/zinc/37/92/53/1006379253.db2.gz FKOKWZSNXPEEAE-LRQRDZAKSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1 ZINC000531722455 1006379267 /nfs/dbraw/zinc/37/92/67/1006379267.db2.gz FKOKWZSNXPEEAE-LRQRDZAKSA-N 2 2 403.364 3.983 20 0 HHADLP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534552053 1006542979 /nfs/dbraw/zinc/54/29/79/1006542979.db2.gz BRRXRKXEBZAQBI-UHFFFAOYSA-N 2 2 406.530 3.575 20 0 HHADLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000531989897 1006563921 /nfs/dbraw/zinc/56/39/21/1006563921.db2.gz UKEGHXPYGFLAHG-IBGZPJMESA-N 2 2 403.368 3.837 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325132 1006591141 /nfs/dbraw/zinc/59/11/41/1006591141.db2.gz OOOZCJKJTHKLDP-VXKWHMMOSA-N 2 2 418.630 3.648 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325132 1006591151 /nfs/dbraw/zinc/59/11/51/1006591151.db2.gz OOOZCJKJTHKLDP-VXKWHMMOSA-N 2 2 418.630 3.648 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC2)CC1 ZINC000538351592 1006618999 /nfs/dbraw/zinc/61/89/99/1006618999.db2.gz FMHYWMHGWDLDEG-UHFFFAOYSA-N 2 2 422.013 3.534 20 0 HHADLP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000538397456 1006666642 /nfs/dbraw/zinc/66/66/42/1006666642.db2.gz GOWFWYZTCFWAID-KRWDZBQOSA-N 2 2 407.514 3.680 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000515795491 1006677835 /nfs/dbraw/zinc/67/78/35/1006677835.db2.gz VUZIRWGKCARRSL-MZKRTTBSSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000515795491 1006677839 /nfs/dbraw/zinc/67/78/39/1006677839.db2.gz VUZIRWGKCARRSL-MZKRTTBSSA-N 2 2 424.589 3.590 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538415077 1006683074 /nfs/dbraw/zinc/68/30/74/1006683074.db2.gz XHNNTQIIYLJWOK-DEOSSOPVSA-N 2 2 424.976 3.869 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000538415077 1006683076 /nfs/dbraw/zinc/68/30/76/1006683076.db2.gz XHNNTQIIYLJWOK-DEOSSOPVSA-N 2 2 424.976 3.869 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000516166486 1006926229 /nfs/dbraw/zinc/92/62/29/1006926229.db2.gz SZVAAOXJYJFWSD-NFBKMPQASA-N 2 2 417.557 3.609 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000516166486 1006926237 /nfs/dbraw/zinc/92/62/37/1006926237.db2.gz SZVAAOXJYJFWSD-NFBKMPQASA-N 2 2 417.557 3.609 20 0 HHADLP Cc1csc(C(C)(C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000534912585 1006945540 /nfs/dbraw/zinc/94/55/40/1006945540.db2.gz GFCOFCOXVHEKQI-GOSISDBHSA-N 2 2 421.010 3.883 20 0 HHADLP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Br)c1 ZINC000516210506 1006948314 /nfs/dbraw/zinc/94/83/14/1006948314.db2.gz LXBMBYPDDFRBPX-AWEZNQCLSA-N 2 2 408.340 3.644 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929519 1006966215 /nfs/dbraw/zinc/96/62/15/1006966215.db2.gz CPDNMGAIOFDAKY-FCHUYYIVSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929519 1006966229 /nfs/dbraw/zinc/96/62/29/1006966229.db2.gz CPDNMGAIOFDAKY-FCHUYYIVSA-N 2 2 402.583 3.634 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534931764 1006968519 /nfs/dbraw/zinc/96/85/19/1006968519.db2.gz ULDONZHWAOAEPB-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534931764 1006968523 /nfs/dbraw/zinc/96/85/23/1006968523.db2.gz ULDONZHWAOAEPB-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1 ZINC000532556810 1006989986 /nfs/dbraw/zinc/98/99/86/1006989986.db2.gz HIRQGOVSGYINGN-UHFFFAOYSA-N 2 2 409.317 3.548 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534975551 1007033713 /nfs/dbraw/zinc/03/37/13/1007033713.db2.gz GSBWIZHXAIWVIO-UZLBHIALSA-N 2 2 419.932 3.668 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534975551 1007033727 /nfs/dbraw/zinc/03/37/27/1007033727.db2.gz GSBWIZHXAIWVIO-UZLBHIALSA-N 2 2 419.932 3.668 20 0 HHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749987 1007034653 /nfs/dbraw/zinc/03/46/53/1007034653.db2.gz RURMUVFPBNZQJN-QGZVFWFLSA-N 2 2 403.368 3.799 20 0 HHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749987 1007034672 /nfs/dbraw/zinc/03/46/72/1007034672.db2.gz RURMUVFPBNZQJN-QGZVFWFLSA-N 2 2 403.368 3.799 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749987 1007034685 /nfs/dbraw/zinc/03/46/85/1007034685.db2.gz RURMUVFPBNZQJN-QGZVFWFLSA-N 2 2 403.368 3.799 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000538749987 1007034699 /nfs/dbraw/zinc/03/46/99/1007034699.db2.gz RURMUVFPBNZQJN-QGZVFWFLSA-N 2 2 403.368 3.799 20 0 HHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c(C(C)(C)C)n2)cc1 ZINC000532628403 1007049819 /nfs/dbraw/zinc/04/98/19/1007049819.db2.gz RCWCLAQXETZYNZ-PKTZIBPZSA-N 2 2 410.606 3.946 20 0 HHADLP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c(C(C)(C)C)n2)cc1 ZINC000532628398 1007050062 /nfs/dbraw/zinc/05/00/62/1007050062.db2.gz RCWCLAQXETZYNZ-DHIUTWEWSA-N 2 2 410.606 3.946 20 0 HHADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000532651461 1007069761 /nfs/dbraw/zinc/06/97/61/1007069761.db2.gz XCJUMDDDVKPUNM-UHFFFAOYSA-N 2 2 402.498 3.780 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538797746 1007079321 /nfs/dbraw/zinc/07/93/21/1007079321.db2.gz XHCKNZGKTNOWBL-APWZRJJASA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538797746 1007079334 /nfs/dbraw/zinc/07/93/34/1007079334.db2.gz XHCKNZGKTNOWBL-APWZRJJASA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538797746 1007079349 /nfs/dbraw/zinc/07/93/49/1007079349.db2.gz XHCKNZGKTNOWBL-APWZRJJASA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538797746 1007079365 /nfs/dbraw/zinc/07/93/65/1007079365.db2.gz XHCKNZGKTNOWBL-APWZRJJASA-N 2 2 411.384 3.781 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093011 1007106870 /nfs/dbraw/zinc/10/68/70/1007106870.db2.gz ARHKTNSPMZQKJO-SXSPYAJSSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093011 1007106875 /nfs/dbraw/zinc/10/68/75/1007106875.db2.gz ARHKTNSPMZQKJO-SXSPYAJSSA-N 2 2 403.586 3.800 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094353 1007109662 /nfs/dbraw/zinc/10/96/62/1007109662.db2.gz GJNLFAGEBZPEDY-PKTZIBPZSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094353 1007109670 /nfs/dbraw/zinc/10/96/70/1007109670.db2.gz GJNLFAGEBZPEDY-PKTZIBPZSA-N 2 2 412.578 3.586 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095029 1007110658 /nfs/dbraw/zinc/11/06/58/1007110658.db2.gz NANLXLUHLXUEQP-URHOCTSQSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095029 1007110664 /nfs/dbraw/zinc/11/06/64/1007110664.db2.gz NANLXLUHLXUEQP-URHOCTSQSA-N 2 2 419.560 3.864 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097165 1007115237 /nfs/dbraw/zinc/11/52/37/1007115237.db2.gz XINLITQSOQKWOO-XZOQPEGZSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097165 1007115242 /nfs/dbraw/zinc/11/52/42/1007115242.db2.gz XINLITQSOQKWOO-XZOQPEGZSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097643 1007116585 /nfs/dbraw/zinc/11/65/85/1007116585.db2.gz XKUHOTSSGZVTDN-FGZHOGPDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097643 1007116592 /nfs/dbraw/zinc/11/65/92/1007116592.db2.gz XKUHOTSSGZVTDN-FGZHOGPDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108809 1007133645 /nfs/dbraw/zinc/13/36/45/1007133645.db2.gz BVKLSWGNRAFPBU-DNQXCXABSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108809 1007133653 /nfs/dbraw/zinc/13/36/53/1007133653.db2.gz BVKLSWGNRAFPBU-DNQXCXABSA-N 2 2 423.605 3.713 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2)CC1 ZINC000516551680 1007149412 /nfs/dbraw/zinc/14/94/12/1007149412.db2.gz MGWMJEORQFLTHP-HSZRJFAPSA-N 2 2 421.589 3.823 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122799 1007156064 /nfs/dbraw/zinc/15/60/64/1007156064.db2.gz YFLYMYPCEWXGCQ-BWAGFHJFSA-N 2 2 418.630 3.504 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122799 1007156068 /nfs/dbraw/zinc/15/60/68/1007156068.db2.gz YFLYMYPCEWXGCQ-BWAGFHJFSA-N 2 2 418.630 3.504 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848404 1007234918 /nfs/dbraw/zinc/23/49/18/1007234918.db2.gz DKLRVIJWMPYFIM-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848404 1007234929 /nfs/dbraw/zinc/23/49/29/1007234929.db2.gz DKLRVIJWMPYFIM-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265444 1007314667 /nfs/dbraw/zinc/31/46/67/1007314667.db2.gz INWHZMDHTKEKDG-NJDAHSKKSA-N 2 2 416.928 3.710 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265444 1007314678 /nfs/dbraw/zinc/31/46/78/1007314678.db2.gz INWHZMDHTKEKDG-NJDAHSKKSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265444 1007314689 /nfs/dbraw/zinc/31/46/89/1007314689.db2.gz INWHZMDHTKEKDG-NJDAHSKKSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265444 1007314696 /nfs/dbraw/zinc/31/46/96/1007314696.db2.gz INWHZMDHTKEKDG-NJDAHSKKSA-N 2 2 416.928 3.710 20 0 HHADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967219 1007334686 /nfs/dbraw/zinc/33/46/86/1007334686.db2.gz NOCUCIYINSNBQT-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532967219 1007334700 /nfs/dbraw/zinc/33/47/00/1007334700.db2.gz NOCUCIYINSNBQT-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967219 1007334715 /nfs/dbraw/zinc/33/47/15/1007334715.db2.gz NOCUCIYINSNBQT-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C[NH+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532967219 1007334728 /nfs/dbraw/zinc/33/47/28/1007334728.db2.gz NOCUCIYINSNBQT-WMPKNSHKSA-N 4 2 410.650 3.522 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045275 1007342062 /nfs/dbraw/zinc/34/20/62/1007342062.db2.gz ILPILWMNFPAYSL-NRJQMVOHSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045275 1007342076 /nfs/dbraw/zinc/34/20/76/1007342076.db2.gz ILPILWMNFPAYSL-NRJQMVOHSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000539049047 1007346339 /nfs/dbraw/zinc/34/63/39/1007346339.db2.gz ZQYGOWXDXOFNKU-STWLZBDKSA-N 2 2 408.590 3.659 20 0 HHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2c(cc1Br)OCCO2 ZINC000539092272 1007381694 /nfs/dbraw/zinc/38/16/94/1007381694.db2.gz RLCRHOWYRPXHQF-AWEZNQCLSA-N 2 2 418.335 3.935 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143434 1007439386 /nfs/dbraw/zinc/43/93/86/1007439386.db2.gz RWAMUYHUUQBFDO-NDXORKPFSA-N 2 2 424.992 3.892 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143434 1007439391 /nfs/dbraw/zinc/43/93/91/1007439391.db2.gz RWAMUYHUUQBFDO-NDXORKPFSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143434 1007439399 /nfs/dbraw/zinc/43/93/99/1007439399.db2.gz RWAMUYHUUQBFDO-NDXORKPFSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539143434 1007439402 /nfs/dbraw/zinc/43/94/02/1007439402.db2.gz RWAMUYHUUQBFDO-NDXORKPFSA-N 2 2 424.992 3.892 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000539145721 1007441248 /nfs/dbraw/zinc/44/12/48/1007441248.db2.gz ANZFJJCXNGEJQO-ROUUACIJSA-N 2 2 417.525 3.571 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085043 1007445715 /nfs/dbraw/zinc/44/57/15/1007445715.db2.gz YADBTEKDVAGOPK-ISKFKSNPSA-N 2 2 417.557 3.665 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085043 1007445720 /nfs/dbraw/zinc/44/57/20/1007445720.db2.gz YADBTEKDVAGOPK-ISKFKSNPSA-N 2 2 417.557 3.665 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000533159622 1007498032 /nfs/dbraw/zinc/49/80/32/1007498032.db2.gz MCVUADNXPZDSPQ-UHFFFAOYSA-N 2 2 405.546 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000533159622 1007498053 /nfs/dbraw/zinc/49/80/53/1007498053.db2.gz MCVUADNXPZDSPQ-UHFFFAOYSA-N 2 2 405.546 3.641 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)n1-c1ccccc1 ZINC000533210010 1007537249 /nfs/dbraw/zinc/53/72/49/1007537249.db2.gz KSNJRUIGZVGUKP-UHFFFAOYSA-N 2 2 417.557 3.533 20 0 HHADLP COC(=O)c1oc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000539250042 1007542131 /nfs/dbraw/zinc/54/21/31/1007542131.db2.gz UWVPWCVDKZUYBT-SFHVURJKSA-N 3 2 405.583 3.564 20 0 HHADLP COC(=O)c1oc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000539250042 1007542140 /nfs/dbraw/zinc/54/21/40/1007542140.db2.gz UWVPWCVDKZUYBT-SFHVURJKSA-N 3 2 405.583 3.564 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000533221937 1007545467 /nfs/dbraw/zinc/54/54/67/1007545467.db2.gz WZHRRRKLHMUWKT-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000533221937 1007545473 /nfs/dbraw/zinc/54/54/73/1007545473.db2.gz WZHRRRKLHMUWKT-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000533221937 1007545488 /nfs/dbraw/zinc/54/54/88/1007545488.db2.gz WZHRRRKLHMUWKT-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000533221937 1007545493 /nfs/dbraw/zinc/54/54/93/1007545493.db2.gz WZHRRRKLHMUWKT-UHFFFAOYSA-N 2 2 419.569 3.524 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC000517342658 1007581750 /nfs/dbraw/zinc/58/17/50/1007581750.db2.gz KNFGSJISFKGSJY-PMVMPFDFSA-N 2 2 413.512 3.881 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1c1ccccc1 ZINC000517342658 1007581757 /nfs/dbraw/zinc/58/17/57/1007581757.db2.gz KNFGSJISFKGSJY-PMVMPFDFSA-N 2 2 413.512 3.881 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)CC1 ZINC000539315704 1007615108 /nfs/dbraw/zinc/61/51/08/1007615108.db2.gz YANSBDXOVAXMBP-INIZCTEOSA-N 2 2 417.598 3.874 20 0 HHADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533347540 1007655399 /nfs/dbraw/zinc/65/53/99/1007655399.db2.gz MWCKNLBZGMLCBN-KRWDZBQOSA-N 2 2 410.518 3.979 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1C(F)(F)F ZINC000539359977 1007662377 /nfs/dbraw/zinc/66/23/77/1007662377.db2.gz VSPPSTGUQZJOFZ-HNNXBMFYSA-N 2 2 411.493 3.762 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535660192 1007676341 /nfs/dbraw/zinc/67/63/41/1007676341.db2.gz WSVOZKAWNWNXJT-SJORKVTESA-N 2 2 422.643 3.637 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535660192 1007676358 /nfs/dbraw/zinc/67/63/58/1007676358.db2.gz WSVOZKAWNWNXJT-SJORKVTESA-N 2 2 422.643 3.637 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000539489720 1007800663 /nfs/dbraw/zinc/80/06/63/1007800663.db2.gz XNPCJBNDULUTFG-PMACEKPBSA-N 2 2 402.542 3.818 20 0 HHADLP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000539490788 1007802650 /nfs/dbraw/zinc/80/26/50/1007802650.db2.gz FNZNAHJKFPGJPG-IBGZPJMESA-N 2 2 413.537 3.528 20 0 HHADLP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000539490788 1007802659 /nfs/dbraw/zinc/80/26/59/1007802659.db2.gz FNZNAHJKFPGJPG-IBGZPJMESA-N 2 2 413.537 3.528 20 0 HHADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807821 1007818569 /nfs/dbraw/zinc/81/85/69/1007818569.db2.gz DMIKPIBSFSZACB-GMAHTHKFSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807821 1007818577 /nfs/dbraw/zinc/81/85/77/1007818577.db2.gz DMIKPIBSFSZACB-GMAHTHKFSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807821 1007818586 /nfs/dbraw/zinc/81/85/86/1007818586.db2.gz DMIKPIBSFSZACB-GMAHTHKFSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807821 1007818597 /nfs/dbraw/zinc/81/85/97/1007818597.db2.gz DMIKPIBSFSZACB-GMAHTHKFSA-N 2 2 405.521 3.893 20 0 HHADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808694 1007819794 /nfs/dbraw/zinc/81/97/94/1007819794.db2.gz RPHHHHKMRLUOHS-SIKLNZKXSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808694 1007819806 /nfs/dbraw/zinc/81/98/06/1007819806.db2.gz RPHHHHKMRLUOHS-SIKLNZKXSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808694 1007819819 /nfs/dbraw/zinc/81/98/19/1007819819.db2.gz RPHHHHKMRLUOHS-SIKLNZKXSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808694 1007819844 /nfs/dbraw/zinc/81/98/44/1007819844.db2.gz RPHHHHKMRLUOHS-SIKLNZKXSA-N 2 2 422.573 3.697 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822945 1007837171 /nfs/dbraw/zinc/83/71/71/1007837171.db2.gz ITQAMQJGRWDBOM-SIKLNZKXSA-N 2 2 404.514 3.906 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822945 1007837186 /nfs/dbraw/zinc/83/71/86/1007837186.db2.gz ITQAMQJGRWDBOM-SIKLNZKXSA-N 2 2 404.514 3.906 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000539540466 1007849497 /nfs/dbraw/zinc/84/94/97/1007849497.db2.gz UAMKORGZJUCVNS-NQIIRXRSSA-N 2 2 411.550 3.535 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533106 1007855506 /nfs/dbraw/zinc/85/55/06/1007855506.db2.gz QYRONYWPJRJGRI-GHTZIAJQSA-N 2 2 415.626 3.894 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533106 1007855520 /nfs/dbraw/zinc/85/55/20/1007855520.db2.gz QYRONYWPJRJGRI-GHTZIAJQSA-N 2 2 415.626 3.894 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850545 1007863454 /nfs/dbraw/zinc/86/34/54/1007863454.db2.gz FLFGLFXOVVIBJG-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850545 1007863459 /nfs/dbraw/zinc/86/34/59/1007863459.db2.gz FLFGLFXOVVIBJG-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849935 1007863470 /nfs/dbraw/zinc/86/34/70/1007863470.db2.gz ZMJGZACYGPAVKU-DNQXCXABSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849935 1007863474 /nfs/dbraw/zinc/86/34/74/1007863474.db2.gz ZMJGZACYGPAVKU-DNQXCXABSA-N 2 2 413.606 3.885 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850477 1007863488 /nfs/dbraw/zinc/86/34/88/1007863488.db2.gz BCTBHZNDZIRERS-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850477 1007863490 /nfs/dbraw/zinc/86/34/90/1007863490.db2.gz BCTBHZNDZIRERS-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849934 1007863977 /nfs/dbraw/zinc/86/39/77/1007863977.db2.gz ZMJGZACYGPAVKU-BJKOFHAPSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849934 1007863990 /nfs/dbraw/zinc/86/39/90/1007863990.db2.gz ZMJGZACYGPAVKU-BJKOFHAPSA-N 2 2 413.606 3.885 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850575 1007864790 /nfs/dbraw/zinc/86/47/90/1007864790.db2.gz GLLOBXQXIFERFJ-BJKOFHAPSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850575 1007864799 /nfs/dbraw/zinc/86/47/99/1007864799.db2.gz GLLOBXQXIFERFJ-BJKOFHAPSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856646 1007871078 /nfs/dbraw/zinc/87/10/78/1007871078.db2.gz QTZRLGYBOWCXEA-DNQXCXABSA-N 2 2 423.605 3.794 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856646 1007871089 /nfs/dbraw/zinc/87/10/89/1007871089.db2.gz QTZRLGYBOWCXEA-DNQXCXABSA-N 2 2 423.605 3.794 20 0 HHADLP CC[N@H+](CCc1nccs1)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533600888 1007900526 /nfs/dbraw/zinc/90/05/26/1007900526.db2.gz LEGAQOQUDLZLFC-UHFFFAOYSA-N 2 2 422.598 3.505 20 0 HHADLP CC[N@@H+](CCc1nccs1)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533600888 1007900531 /nfs/dbraw/zinc/90/05/31/1007900531.db2.gz LEGAQOQUDLZLFC-UHFFFAOYSA-N 2 2 422.598 3.505 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000535929168 1007952488 /nfs/dbraw/zinc/95/24/88/1007952488.db2.gz JRBMMDKLYSDWSP-GMAHTHKFSA-N 2 2 409.578 3.615 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647887 1007957098 /nfs/dbraw/zinc/95/70/98/1007957098.db2.gz FHHMWSHBGSPPLT-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647887 1007957102 /nfs/dbraw/zinc/95/71/02/1007957102.db2.gz FHHMWSHBGSPPLT-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648261 1007958286 /nfs/dbraw/zinc/95/82/86/1007958286.db2.gz LVJBSQYGOKXEPF-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648261 1007958294 /nfs/dbraw/zinc/95/82/94/1007958294.db2.gz LVJBSQYGOKXEPF-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649930 1007960279 /nfs/dbraw/zinc/96/02/79/1007960279.db2.gz YUJDAEOOUOETHF-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649930 1007960286 /nfs/dbraw/zinc/96/02/86/1007960286.db2.gz YUJDAEOOUOETHF-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)COC/C=C/c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649806 1007960996 /nfs/dbraw/zinc/96/09/96/1007960996.db2.gz XTMHUBVWWPKUMI-HMIGMFITSA-N 2 2 413.606 3.512 20 0 HHADLP CN(C(=O)COC/C=C/c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649806 1007961005 /nfs/dbraw/zinc/96/10/05/1007961005.db2.gz XTMHUBVWWPKUMI-HMIGMFITSA-N 2 2 413.606 3.512 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649943 1007961270 /nfs/dbraw/zinc/96/12/70/1007961270.db2.gz YUJDAEOOUOETHF-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649943 1007961274 /nfs/dbraw/zinc/96/12/74/1007961274.db2.gz YUJDAEOOUOETHF-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650637 1007962673 /nfs/dbraw/zinc/96/26/73/1007962673.db2.gz DAFYLOZSQGSKFM-NHCUHLMSSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650637 1007962677 /nfs/dbraw/zinc/96/26/77/1007962677.db2.gz DAFYLOZSQGSKFM-NHCUHLMSSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650908 1007963764 /nfs/dbraw/zinc/96/37/64/1007963764.db2.gz IYVFGCLDSMFJSC-WOJBJXKFSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650908 1007963769 /nfs/dbraw/zinc/96/37/69/1007963769.db2.gz IYVFGCLDSMFJSC-WOJBJXKFSA-N 2 2 409.521 3.697 20 0 HHADLP CCC(CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCC1 ZINC000517813329 1007987407 /nfs/dbraw/zinc/98/74/07/1007987407.db2.gz RXLIIHFSZISZRI-NRFANRHFSA-N 2 2 401.530 3.711 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000535987835 1008027065 /nfs/dbraw/zinc/02/70/65/1008027065.db2.gz DMIJHGBKIRJQQT-OLZOCXBDSA-N 2 2 415.426 3.606 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000517886384 1008029972 /nfs/dbraw/zinc/02/99/72/1008029972.db2.gz HHIDTPOWMNAUDZ-HSZRJFAPSA-N 2 2 409.599 3.557 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000533738347 1008064025 /nfs/dbraw/zinc/06/40/25/1008064025.db2.gz ITDVGLYJBDQYBV-KNKQGSTJSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000533738352 1008064280 /nfs/dbraw/zinc/06/42/80/1008064280.db2.gz ITDVGLYJBDQYBV-XQBPLPMBSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000533738352 1008064287 /nfs/dbraw/zinc/06/42/87/1008064287.db2.gz ITDVGLYJBDQYBV-XQBPLPMBSA-N 2 2 409.578 3.597 20 0 HHADLP CCN(CC)c1ncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000539823533 1008117303 /nfs/dbraw/zinc/11/73/03/1008117303.db2.gz KRRHEGPSFUQITI-UHFFFAOYSA-N 3 2 407.672 3.617 20 0 HHADLP CCN(CC)c1ncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000539823533 1008117309 /nfs/dbraw/zinc/11/73/09/1008117309.db2.gz KRRHEGPSFUQITI-UHFFFAOYSA-N 3 2 407.672 3.617 20 0 HHADLP CN(C(=O)N[C@@H](c1cccnc1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533964731 1008237634 /nfs/dbraw/zinc/23/76/34/1008237634.db2.gz BCPSVALPOQIHDN-XPWALMASSA-N 2 2 413.610 3.511 20 0 HHADLP CN(C(=O)N[C@@H](c1cccnc1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533964731 1008237639 /nfs/dbraw/zinc/23/76/39/1008237639.db2.gz BCPSVALPOQIHDN-XPWALMASSA-N 2 2 413.610 3.511 20 0 HHADLP CN(C(=O)N[C@H](c1cccnc1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533964730 1008237704 /nfs/dbraw/zinc/23/77/04/1008237704.db2.gz BCPSVALPOQIHDN-VJBWXMMDSA-N 2 2 413.610 3.511 20 0 HHADLP CN(C(=O)N[C@H](c1cccnc1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533964730 1008237709 /nfs/dbraw/zinc/23/77/09/1008237709.db2.gz BCPSVALPOQIHDN-VJBWXMMDSA-N 2 2 413.610 3.511 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+](Cc2cccnc2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000540100802 1008287848 /nfs/dbraw/zinc/28/78/48/1008287848.db2.gz FHQNFMDIVDEALY-XMMPIXPASA-N 2 2 424.589 3.644 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](Cc2cccnc2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000540100802 1008287852 /nfs/dbraw/zinc/28/78/52/1008287852.db2.gz FHQNFMDIVDEALY-XMMPIXPASA-N 2 2 424.589 3.644 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCCC2 ZINC000540174044 1008322547 /nfs/dbraw/zinc/32/25/47/1008322547.db2.gz DBMRKGOLVAKEOE-WMZHIEFXSA-N 2 2 421.589 3.512 20 0 HHADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000540176709 1008323585 /nfs/dbraw/zinc/32/35/85/1008323585.db2.gz FDCNRIDVOWWHAA-SIKLNZKXSA-N 2 2 409.578 3.756 20 0 HHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321551 1008378965 /nfs/dbraw/zinc/37/89/65/1008378965.db2.gz UVFPQQZPUNOJJY-MSOLQXFVSA-N 2 2 401.576 3.648 20 0 HHADLP CN(CC[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH+](C)CC1 ZINC000540334524 1008385410 /nfs/dbraw/zinc/38/54/10/1008385410.db2.gz OBCOXBUNBNNKOV-UHFFFAOYSA-N 2 2 416.997 3.772 20 0 HHADLP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH+](C)CC1 ZINC000540334524 1008385414 /nfs/dbraw/zinc/38/54/14/1008385414.db2.gz OBCOXBUNBNNKOV-UHFFFAOYSA-N 2 2 416.997 3.772 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000518796722 1008423585 /nfs/dbraw/zinc/42/35/85/1008423585.db2.gz VLXGUEGNMMRXSY-UHFFFAOYSA-N 2 2 409.368 3.704 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540559026 1008481484 /nfs/dbraw/zinc/48/14/84/1008481484.db2.gz UUTOYIFJGJBSER-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540559026 1008481486 /nfs/dbraw/zinc/48/14/86/1008481486.db2.gz UUTOYIFJGJBSER-GOTSBHOMSA-N 2 2 424.593 3.673 20 0 HHADLP CCOc1cccc2cc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000519172664 1008577019 /nfs/dbraw/zinc/57/70/19/1008577019.db2.gz KBMRGHYJXVTIOW-QGZVFWFLSA-N 2 2 416.566 3.560 20 0 HHADLP CCOc1cccc2cc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000519172664 1008577036 /nfs/dbraw/zinc/57/70/36/1008577036.db2.gz KBMRGHYJXVTIOW-QGZVFWFLSA-N 2 2 416.566 3.560 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000519300537 1008711561 /nfs/dbraw/zinc/71/15/61/1008711561.db2.gz PXCPWEZRBCBQRO-UHFFFAOYSA-N 2 2 403.958 3.528 20 0 HHADLP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164047 1008735305 /nfs/dbraw/zinc/73/53/05/1008735305.db2.gz CHUJWZBXTJHENG-XMMPIXPASA-N 2 2 423.601 3.982 20 0 HHADLP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164047 1008735317 /nfs/dbraw/zinc/73/53/17/1008735317.db2.gz CHUJWZBXTJHENG-XMMPIXPASA-N 2 2 423.601 3.982 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000549166623 1008739421 /nfs/dbraw/zinc/73/94/21/1008739421.db2.gz RLAIIWVTXYNHHN-QFIPXVFZSA-N 2 2 415.528 3.514 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000549166623 1008739434 /nfs/dbraw/zinc/73/94/34/1008739434.db2.gz RLAIIWVTXYNHHN-QFIPXVFZSA-N 2 2 415.528 3.514 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000543396444 1008988146 /nfs/dbraw/zinc/98/81/46/1008988146.db2.gz KQMOGFJZWIUYSR-UHFFFAOYSA-N 2 2 424.936 3.969 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000543396444 1008988159 /nfs/dbraw/zinc/98/81/59/1008988159.db2.gz KQMOGFJZWIUYSR-UHFFFAOYSA-N 2 2 424.936 3.969 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)c2cccs2)CC1 ZINC000543407254 1009000477 /nfs/dbraw/zinc/00/04/77/1009000477.db2.gz QZZFCYULLNLLKX-FYYLOGMGSA-N 2 2 410.562 3.950 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3cnccn3)[nH+]c2)CC1 ZINC000543428855 1009019400 /nfs/dbraw/zinc/01/94/00/1009019400.db2.gz GTSTYVOQHYWHIK-QHCPKHFHSA-N 2 2 406.509 3.743 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545982050 1009032064 /nfs/dbraw/zinc/03/20/64/1009032064.db2.gz GTWZOCPJBNSVCK-GSPCLOLRSA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545982050 1009032077 /nfs/dbraw/zinc/03/20/77/1009032077.db2.gz GTWZOCPJBNSVCK-GSPCLOLRSA-N 2 2 401.570 3.725 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045541 /nfs/dbraw/zinc/04/55/41/1009045541.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459922 1009045554 /nfs/dbraw/zinc/04/55/54/1009045554.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459922 1009045567 /nfs/dbraw/zinc/04/55/67/1009045567.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459922 1009045581 /nfs/dbraw/zinc/04/55/81/1009045581.db2.gz GXWPTFVXFJZKIL-BJESRGMDSA-N 4 2 404.687 3.862 20 0 HHADLP O=C(CC[N@@H+](CCc1ccccc1F)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519904571 1009066904 /nfs/dbraw/zinc/06/69/04/1009066904.db2.gz RFBLHRDXDBIQON-UHFFFAOYSA-N 2 2 424.564 3.747 20 0 HHADLP O=C(CC[N@H+](CCc1ccccc1F)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000519904571 1009066920 /nfs/dbraw/zinc/06/69/20/1009066920.db2.gz RFBLHRDXDBIQON-UHFFFAOYSA-N 2 2 424.564 3.747 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920825 1009078137 /nfs/dbraw/zinc/07/81/37/1009078137.db2.gz YCPPDSRSOKFPTE-PTUXOGIPSA-N 2 2 409.599 3.728 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920825 1009078153 /nfs/dbraw/zinc/07/81/53/1009078153.db2.gz YCPPDSRSOKFPTE-PTUXOGIPSA-N 2 2 409.599 3.728 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCc3c2cccc3C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000546121459 1009145817 /nfs/dbraw/zinc/14/58/17/1009145817.db2.gz YTPYFLVHUVQPPF-UHFFFAOYSA-N 2 2 424.511 3.728 20 0 HHADLP CN(C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558582 1009176374 /nfs/dbraw/zinc/17/63/74/1009176374.db2.gz IYIDVKZYEVBCTN-ACESQOTJSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558582 1009176384 /nfs/dbraw/zinc/17/63/84/1009176384.db2.gz IYIDVKZYEVBCTN-ACESQOTJSA-N 2 2 416.585 3.660 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)cc[nH+]1 ZINC000543589172 1009195375 /nfs/dbraw/zinc/19/53/75/1009195375.db2.gz VJYMGJVCJUUFRR-QHCPKHFHSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)cc[nH+]1 ZINC000543589172 1009195388 /nfs/dbraw/zinc/19/53/88/1009195388.db2.gz VJYMGJVCJUUFRR-QHCPKHFHSA-N 2 2 415.541 3.792 20 0 HHADLP c1ccc(C[N@H+]2C[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)C3(C2)CCOCC3)cc1 ZINC000549618094 1009246261 /nfs/dbraw/zinc/24/62/61/1009246261.db2.gz XBOISGSCRXLICS-QFIPXVFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@@H+]2C[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)C3(C2)CCOCC3)cc1 ZINC000549618094 1009246270 /nfs/dbraw/zinc/24/62/70/1009246270.db2.gz XBOISGSCRXLICS-QFIPXVFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@H+]2C[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000549618094 1009246279 /nfs/dbraw/zinc/24/62/79/1009246279.db2.gz XBOISGSCRXLICS-QFIPXVFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@@H+]2C[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000549618094 1009246296 /nfs/dbraw/zinc/24/62/96/1009246296.db2.gz XBOISGSCRXLICS-QFIPXVFZSA-N 2 2 421.589 3.808 20 0 HHADLP Cn1ccc([C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccc(F)cc2)n1 ZINC000543775078 1009343537 /nfs/dbraw/zinc/34/35/37/1009343537.db2.gz RMVNQGJDTLYOLA-QHCPKHFHSA-N 2 2 408.525 3.686 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543893611 1009474142 /nfs/dbraw/zinc/47/41/42/1009474142.db2.gz BVRDLOQSGALTQD-MSOLQXFVSA-N 2 2 407.921 3.589 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543893611 1009474144 /nfs/dbraw/zinc/47/41/44/1009474144.db2.gz BVRDLOQSGALTQD-MSOLQXFVSA-N 2 2 407.921 3.589 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543893614 1009474414 /nfs/dbraw/zinc/47/44/14/1009474414.db2.gz BVRDLOQSGALTQD-ZWKOTPCHSA-N 2 2 407.921 3.589 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543893614 1009474420 /nfs/dbraw/zinc/47/44/20/1009474420.db2.gz BVRDLOQSGALTQD-ZWKOTPCHSA-N 2 2 407.921 3.589 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941421 1009534775 /nfs/dbraw/zinc/53/47/75/1009534775.db2.gz OGFMBVAUWNRUEF-DFPKUZHUSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941421 1009534785 /nfs/dbraw/zinc/53/47/85/1009534785.db2.gz OGFMBVAUWNRUEF-DFPKUZHUSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941421 1009534793 /nfs/dbraw/zinc/53/47/93/1009534793.db2.gz OGFMBVAUWNRUEF-DFPKUZHUSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941421 1009534814 /nfs/dbraw/zinc/53/48/14/1009534814.db2.gz OGFMBVAUWNRUEF-DFPKUZHUSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941423 1009534872 /nfs/dbraw/zinc/53/48/72/1009534872.db2.gz OGFMBVAUWNRUEF-NNNWTRQLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941423 1009534886 /nfs/dbraw/zinc/53/48/86/1009534886.db2.gz OGFMBVAUWNRUEF-NNNWTRQLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941423 1009534894 /nfs/dbraw/zinc/53/48/94/1009534894.db2.gz OGFMBVAUWNRUEF-NNNWTRQLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941423 1009534899 /nfs/dbraw/zinc/53/48/99/1009534899.db2.gz OGFMBVAUWNRUEF-NNNWTRQLSA-N 2 2 424.511 3.507 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000546619963 1009631946 /nfs/dbraw/zinc/63/19/46/1009631946.db2.gz OECCOEPIALSUTK-UHFFFAOYSA-N 2 2 401.482 3.520 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036020 1009636964 /nfs/dbraw/zinc/63/69/64/1009636964.db2.gz GKZJXXSRDYXCPW-FGZHOGPDSA-N 2 2 419.635 3.583 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036020 1009636975 /nfs/dbraw/zinc/63/69/75/1009636975.db2.gz GKZJXXSRDYXCPW-FGZHOGPDSA-N 2 2 419.635 3.583 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000520571332 1009651806 /nfs/dbraw/zinc/65/18/06/1009651806.db2.gz NWBFAWOSKRFSFM-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000520571332 1009651816 /nfs/dbraw/zinc/65/18/16/1009651816.db2.gz NWBFAWOSKRFSFM-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000520571332 1009651823 /nfs/dbraw/zinc/65/18/23/1009651823.db2.gz NWBFAWOSKRFSFM-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000520571332 1009651826 /nfs/dbraw/zinc/65/18/26/1009651826.db2.gz NWBFAWOSKRFSFM-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000544052641 1009656522 /nfs/dbraw/zinc/65/65/22/1009656522.db2.gz DAWXNFKNWYYLJT-VWLOTQADSA-N 2 2 421.585 3.646 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000544052641 1009656527 /nfs/dbraw/zinc/65/65/27/1009656527.db2.gz DAWXNFKNWYYLJT-VWLOTQADSA-N 2 2 421.585 3.646 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550073667 1009676066 /nfs/dbraw/zinc/67/60/66/1009676066.db2.gz WBPXWQGOGNXDDQ-NHCUHLMSSA-N 2 2 412.578 3.556 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550073667 1009676076 /nfs/dbraw/zinc/67/60/76/1009676076.db2.gz WBPXWQGOGNXDDQ-NHCUHLMSSA-N 2 2 412.578 3.556 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550073666 1009676299 /nfs/dbraw/zinc/67/62/99/1009676299.db2.gz WBPXWQGOGNXDDQ-LEWJYISDSA-N 2 2 412.578 3.556 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550073666 1009676308 /nfs/dbraw/zinc/67/63/08/1009676308.db2.gz WBPXWQGOGNXDDQ-LEWJYISDSA-N 2 2 412.578 3.556 20 0 HHADLP O=S(=O)(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1Cn1cc[nH+]c1 ZINC000546795199 1009760656 /nfs/dbraw/zinc/76/06/56/1009760656.db2.gz IBVXFPAXSKQOFY-UHFFFAOYSA-N 2 2 424.570 3.761 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000546871693 1009833232 /nfs/dbraw/zinc/83/32/32/1009833232.db2.gz CCMDVVATIKNHMU-UHFFFAOYSA-N 2 2 422.411 3.684 20 0 HHADLP Fc1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cnccn2)cc1 ZINC000544357769 1009983567 /nfs/dbraw/zinc/98/35/67/1009983567.db2.gz ZZXYZKMHPNSXFO-DEOSSOPVSA-N 2 2 406.505 3.970 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358479 1009984351 /nfs/dbraw/zinc/98/43/51/1009984351.db2.gz ATPKPXPQRNCCAF-RDPSFJRHSA-N 2 2 420.532 3.640 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358479 1009984359 /nfs/dbraw/zinc/98/43/59/1009984359.db2.gz ATPKPXPQRNCCAF-RDPSFJRHSA-N 2 2 420.532 3.640 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3cccnc3)c3ccc(F)cc3F)cn2)CC1 ZINC000544363081 1009989982 /nfs/dbraw/zinc/98/99/82/1009989982.db2.gz KOOCPCXYNJJGQC-XMMPIXPASA-N 2 2 423.511 3.776 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000520958162 1010005679 /nfs/dbraw/zinc/00/56/79/1010005679.db2.gz HJVVHSQRAKNKFC-OAHLLOKOSA-N 2 2 413.463 3.577 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000550622842 1010069860 /nfs/dbraw/zinc/06/98/60/1010069860.db2.gz YRUXLVNZCWQWHE-RBZQAINGSA-N 2 2 407.558 3.521 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C[C@@H]1c1ccccc1 ZINC000550622842 1010069876 /nfs/dbraw/zinc/06/98/76/1010069876.db2.gz YRUXLVNZCWQWHE-RBZQAINGSA-N 2 2 407.558 3.521 20 0 HHADLP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000521358869 1010331066 /nfs/dbraw/zinc/33/10/66/1010331066.db2.gz DTOIMSAFYFETPH-IBGZPJMESA-N 2 2 411.977 3.821 20 0 HHADLP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000521358869 1010331080 /nfs/dbraw/zinc/33/10/80/1010331080.db2.gz DTOIMSAFYFETPH-IBGZPJMESA-N 2 2 411.977 3.821 20 0 HHADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000521358869 1010331089 /nfs/dbraw/zinc/33/10/89/1010331089.db2.gz DTOIMSAFYFETPH-IBGZPJMESA-N 2 2 411.977 3.821 20 0 HHADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000521358869 1010331098 /nfs/dbraw/zinc/33/10/98/1010331098.db2.gz DTOIMSAFYFETPH-IBGZPJMESA-N 2 2 411.977 3.821 20 0 HHADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc12 ZINC000544895048 1010471974 /nfs/dbraw/zinc/47/19/74/1010471974.db2.gz DFGCLXXNGJXAOF-UHFFFAOYSA-N 2 2 414.351 3.601 20 0 HHADLP COc1cc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)ccc1OCC[NH+](C)C ZINC000544966197 1010525476 /nfs/dbraw/zinc/52/54/76/1010525476.db2.gz SACPDJBCSMTAGS-UHFFFAOYSA-N 2 2 419.485 3.597 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000551441580 1010588153 /nfs/dbraw/zinc/58/81/53/1010588153.db2.gz COXAIWJORARRRB-IRFCIJBXSA-N 2 2 415.969 3.718 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000551441580 1010588164 /nfs/dbraw/zinc/58/81/64/1010588164.db2.gz COXAIWJORARRRB-IRFCIJBXSA-N 2 2 415.969 3.718 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000545205213 1010683098 /nfs/dbraw/zinc/68/30/98/1010683098.db2.gz HBPLYMDCVOXDNC-UHFFFAOYSA-N 2 2 401.482 3.520 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000551638893 1010713609 /nfs/dbraw/zinc/71/36/09/1010713609.db2.gz IZDPTIPMVKZYEP-PZJWPPBQSA-N 2 2 417.504 3.521 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000551638893 1010713618 /nfs/dbraw/zinc/71/36/18/1010713618.db2.gz IZDPTIPMVKZYEP-PZJWPPBQSA-N 2 2 417.504 3.521 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000551638892 1010713865 /nfs/dbraw/zinc/71/38/65/1010713865.db2.gz IZDPTIPMVKZYEP-FPOVZHCZSA-N 2 2 417.504 3.521 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000551638892 1010713871 /nfs/dbraw/zinc/71/38/71/1010713871.db2.gz IZDPTIPMVKZYEP-FPOVZHCZSA-N 2 2 417.504 3.521 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000548932316 1010766742 /nfs/dbraw/zinc/76/67/42/1010766742.db2.gz ZNMSFRHLKAMRCH-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000548932316 1010766747 /nfs/dbraw/zinc/76/67/47/1010766747.db2.gz ZNMSFRHLKAMRCH-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000522079809 1010796612 /nfs/dbraw/zinc/79/66/12/1010796612.db2.gz JNLLILJQXBIAJW-IBGZPJMESA-N 2 2 410.965 3.788 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000522340824 1010941061 /nfs/dbraw/zinc/94/10/61/1010941061.db2.gz BEULYWGZGLQTGO-UHFFFAOYSA-N 2 2 403.530 3.858 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000522684414 1011157629 /nfs/dbraw/zinc/15/76/29/1011157629.db2.gz BZPPKPKPMAJJQX-OAQYLSRUSA-N 2 2 414.619 3.699 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000522684414 1011157631 /nfs/dbraw/zinc/15/76/31/1011157631.db2.gz BZPPKPKPMAJJQX-OAQYLSRUSA-N 2 2 414.619 3.699 20 0 HHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1F ZINC000536126977 1011249175 /nfs/dbraw/zinc/24/91/75/1011249175.db2.gz HEXKFAOAJZCVFL-UHFFFAOYSA-N 3 2 404.961 3.582 20 0 HHADLP C[NH+](C)Cc1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1F ZINC000536126977 1011249205 /nfs/dbraw/zinc/24/92/05/1011249205.db2.gz HEXKFAOAJZCVFL-UHFFFAOYSA-N 2 2 404.961 3.582 20 0 HHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000522938215 1011380805 /nfs/dbraw/zinc/38/08/05/1011380805.db2.gz UUUCSXRJNJLQCF-LJQANCHMSA-N 2 2 409.599 3.929 20 0 HHADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000522938215 1011380821 /nfs/dbraw/zinc/38/08/21/1011380821.db2.gz UUUCSXRJNJLQCF-LJQANCHMSA-N 2 2 409.599 3.929 20 0 HHADLP COCC[C@H](Cc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788374 1011448997 /nfs/dbraw/zinc/44/89/97/1011448997.db2.gz CWRPXDGVQOMDKS-HXUWFJFHSA-N 2 2 400.542 3.811 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1[C@@H](C)C1CC1 ZINC000540806193 1011467913 /nfs/dbraw/zinc/46/79/13/1011467913.db2.gz NRFHQBICSNGWQR-OFAXGOBFSA-N 2 2 415.626 3.572 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1[C@@H](C)C1CC1 ZINC000540806193 1011467917 /nfs/dbraw/zinc/46/79/17/1011467917.db2.gz NRFHQBICSNGWQR-OFAXGOBFSA-N 2 2 415.626 3.572 20 0 HHADLP CC(C)COC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378129 1011585641 /nfs/dbraw/zinc/58/56/41/1011585641.db2.gz KBPVSKBSDHFPAE-JOCHJYFZSA-N 2 2 422.013 3.730 20 0 HHADLP CN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536435769 1011658083 /nfs/dbraw/zinc/65/80/83/1011658083.db2.gz GHHPYMQITWBOGA-JRFVFWCSSA-N 2 2 413.606 3.600 20 0 HHADLP CN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536435769 1011658095 /nfs/dbraw/zinc/65/80/95/1011658095.db2.gz GHHPYMQITWBOGA-JRFVFWCSSA-N 2 2 413.606 3.600 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000536666317 1011817708 /nfs/dbraw/zinc/81/77/08/1011817708.db2.gz MXIDQXWKFXBEDX-NRFANRHFSA-N 3 2 406.640 3.623 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000536666317 1011817721 /nfs/dbraw/zinc/81/77/21/1011817721.db2.gz MXIDQXWKFXBEDX-NRFANRHFSA-N 3 2 406.640 3.623 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541162564 1011824601 /nfs/dbraw/zinc/82/46/01/1011824601.db2.gz AMJNCPZZTGIWAR-YSSFQJQWSA-N 2 2 418.944 3.968 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541162564 1011824618 /nfs/dbraw/zinc/82/46/18/1011824618.db2.gz AMJNCPZZTGIWAR-YSSFQJQWSA-N 2 2 418.944 3.968 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC000541180298 1011852976 /nfs/dbraw/zinc/85/29/76/1011852976.db2.gz MNGAMVXZOZORHH-NRFANRHFSA-N 2 2 401.530 3.527 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250661 1011931811 /nfs/dbraw/zinc/93/18/11/1011931811.db2.gz CMMPCAFFOGIJDA-YUXAGFNASA-N 2 2 416.610 3.668 20 0 HHADLP CC[C@H](C)Oc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000541250661 1011931816 /nfs/dbraw/zinc/93/18/16/1011931816.db2.gz CMMPCAFFOGIJDA-YUXAGFNASA-N 2 2 416.610 3.668 20 0 HHADLP Clc1cccc([C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCOCC2)c1 ZINC000541314439 1012021770 /nfs/dbraw/zinc/02/17/70/1012021770.db2.gz FQMUHFVCMNHSDY-HXUWFJFHSA-N 2 2 402.951 3.750 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1)[NH+]1CCOCC1 ZINC000536816639 1012042369 /nfs/dbraw/zinc/04/23/69/1012042369.db2.gz OAZSQOWPHARWKG-IBGZPJMESA-N 2 2 423.561 3.513 20 0 HHADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536852837 1012084005 /nfs/dbraw/zinc/08/40/05/1012084005.db2.gz OQMBEZQMBXWKLA-UPVQGACJSA-N 2 2 413.512 3.533 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000536853532 1012085522 /nfs/dbraw/zinc/08/55/22/1012085522.db2.gz SHULTYAYQBIKKM-OAQYLSRUSA-N 2 2 421.354 3.918 20 0 HHADLP CC(C)C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000536864918 1012101931 /nfs/dbraw/zinc/10/19/31/1012101931.db2.gz STOXFXVZPCYYRF-VXKWHMMOSA-N 2 2 409.578 3.659 20 0 HHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552097836 1012114638 /nfs/dbraw/zinc/11/46/38/1012114638.db2.gz OILAWPAIXHALGQ-MIJOPJBOSA-N 2 2 411.512 3.700 20 0 HHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552097836 1012114646 /nfs/dbraw/zinc/11/46/46/1012114646.db2.gz OILAWPAIXHALGQ-MIJOPJBOSA-N 2 2 411.512 3.700 20 0 HHADLP Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000552119783 1012137578 /nfs/dbraw/zinc/13/75/78/1012137578.db2.gz YVGRIOUEEQFPII-GOSISDBHSA-N 2 2 411.456 3.672 20 0 HHADLP Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000552119783 1012137583 /nfs/dbraw/zinc/13/75/83/1012137583.db2.gz YVGRIOUEEQFPII-GOSISDBHSA-N 2 2 411.456 3.672 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597343 1012159416 /nfs/dbraw/zinc/15/94/16/1012159416.db2.gz ZUAAHKYDBBVGAD-XMSQKQJNSA-N 2 2 416.516 3.531 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000523597343 1012159433 /nfs/dbraw/zinc/15/94/33/1012159433.db2.gz ZUAAHKYDBBVGAD-XMSQKQJNSA-N 2 2 416.516 3.531 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536904185 1012164777 /nfs/dbraw/zinc/16/47/77/1012164777.db2.gz IMFXQTTUKJIDPZ-VQTJNVASSA-N 2 2 410.965 3.786 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536904185 1012164784 /nfs/dbraw/zinc/16/47/84/1012164784.db2.gz IMFXQTTUKJIDPZ-VQTJNVASSA-N 2 2 410.965 3.786 20 0 HHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000536934291 1012225416 /nfs/dbraw/zinc/22/54/16/1012225416.db2.gz HNRIDAZBNBTHLQ-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000536934291 1012225428 /nfs/dbraw/zinc/22/54/28/1012225428.db2.gz HNRIDAZBNBTHLQ-BGYRXZFFSA-N 2 2 413.562 3.740 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000536949264 1012250912 /nfs/dbraw/zinc/25/09/12/1012250912.db2.gz VHCPLDWWVRVUFM-QGZVFWFLSA-N 2 2 411.981 3.825 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000536949264 1012250925 /nfs/dbraw/zinc/25/09/25/1012250925.db2.gz VHCPLDWWVRVUFM-QGZVFWFLSA-N 2 2 411.981 3.825 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962885 1012255871 /nfs/dbraw/zinc/25/58/71/1012255871.db2.gz HYQSANJVIRZKPD-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962885 1012255884 /nfs/dbraw/zinc/25/58/84/1012255884.db2.gz HYQSANJVIRZKPD-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962885 1012255896 /nfs/dbraw/zinc/25/58/96/1012255896.db2.gz HYQSANJVIRZKPD-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962885 1012255912 /nfs/dbraw/zinc/25/59/12/1012255912.db2.gz HYQSANJVIRZKPD-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000537023035 1012330436 /nfs/dbraw/zinc/33/04/36/1012330436.db2.gz INLCMRWQDRWVST-QFIPXVFZSA-N 2 2 415.965 3.529 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1F ZINC000537024545 1012332746 /nfs/dbraw/zinc/33/27/46/1012332746.db2.gz PERWTOZFKYKEPW-HNNXBMFYSA-N 2 2 405.514 3.803 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000541564175 1012352695 /nfs/dbraw/zinc/35/26/95/1012352695.db2.gz XSGNRSOFCSOWRX-HFZDXXHNSA-N 2 2 422.617 3.833 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541622384 1012433431 /nfs/dbraw/zinc/43/34/31/1012433431.db2.gz VVTIYBSRWLPYIC-UHFFFAOYSA-N 2 2 424.589 3.574 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1c(C)noc1C ZINC000541649049 1012470523 /nfs/dbraw/zinc/47/05/23/1012470523.db2.gz VQCMEZVZGLISQQ-QHCPKHFHSA-N 2 2 420.557 3.830 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000541681672 1012516908 /nfs/dbraw/zinc/51/69/08/1012516908.db2.gz ABRWEKOSEOLIAO-UHFFFAOYSA-N 2 2 415.541 3.575 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000541681672 1012516930 /nfs/dbraw/zinc/51/69/30/1012516930.db2.gz ABRWEKOSEOLIAO-UHFFFAOYSA-N 2 2 415.541 3.575 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724171 1012574505 /nfs/dbraw/zinc/57/45/05/1012574505.db2.gz WQGQJMWELPEYJJ-MBSDFSHPSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724171 1012574516 /nfs/dbraw/zinc/57/45/16/1012574516.db2.gz WQGQJMWELPEYJJ-MBSDFSHPSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724169 1012574846 /nfs/dbraw/zinc/57/48/46/1012574846.db2.gz WQGQJMWELPEYJJ-JPYJTQIMSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724169 1012574856 /nfs/dbraw/zinc/57/48/56/1012574856.db2.gz WQGQJMWELPEYJJ-JPYJTQIMSA-N 2 2 415.541 3.790 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000552603127 1012604285 /nfs/dbraw/zinc/60/42/85/1012604285.db2.gz GWGYQUGJZLGZCO-DQEYMECFSA-N 2 2 421.585 3.815 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000552603127 1012604294 /nfs/dbraw/zinc/60/42/94/1012604294.db2.gz GWGYQUGJZLGZCO-DQEYMECFSA-N 2 2 421.585 3.815 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000552603127 1012604310 /nfs/dbraw/zinc/60/43/10/1012604310.db2.gz GWGYQUGJZLGZCO-DQEYMECFSA-N 2 2 421.585 3.815 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000552603127 1012604329 /nfs/dbraw/zinc/60/43/29/1012604329.db2.gz GWGYQUGJZLGZCO-DQEYMECFSA-N 2 2 421.585 3.815 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537235627 1012672673 /nfs/dbraw/zinc/67/26/73/1012672673.db2.gz IMXFUFNKOPJLBM-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537235627 1012672686 /nfs/dbraw/zinc/67/26/86/1012672686.db2.gz IMXFUFNKOPJLBM-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000552678523 1012685748 /nfs/dbraw/zinc/68/57/48/1012685748.db2.gz PRDLYWHKKAKAFJ-GJZGRUSLSA-N 2 2 417.413 3.601 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247922 1012693084 /nfs/dbraw/zinc/69/30/84/1012693084.db2.gz GIHFJGXGVLXUKA-DEOSSOPVSA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247922 1012693093 /nfs/dbraw/zinc/69/30/93/1012693093.db2.gz GIHFJGXGVLXUKA-DEOSSOPVSA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247922 1012693102 /nfs/dbraw/zinc/69/31/02/1012693102.db2.gz GIHFJGXGVLXUKA-DEOSSOPVSA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247922 1012693113 /nfs/dbraw/zinc/69/31/13/1012693113.db2.gz GIHFJGXGVLXUKA-DEOSSOPVSA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccnc(OC2CC[NH+](CCC[NH+]3CCC(Oc4cc(C)ccn4)CC3)CC2)c1 ZINC000542042818 1012945745 /nfs/dbraw/zinc/94/57/45/1012945745.db2.gz ZVTBYWMPKMSLIU-UHFFFAOYSA-N 2 2 424.589 3.870 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542079413 1013001470 /nfs/dbraw/zinc/00/14/70/1013001470.db2.gz KTAFYWISLMPKEG-OALUTQOASA-N 2 2 421.948 3.979 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542079413 1013001480 /nfs/dbraw/zinc/00/14/80/1013001480.db2.gz KTAFYWISLMPKEG-OALUTQOASA-N 2 2 421.948 3.979 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542079417 1013001968 /nfs/dbraw/zinc/00/19/68/1013001968.db2.gz KTAFYWISLMPKEG-RTBURBONSA-N 2 2 421.948 3.979 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542079417 1013001984 /nfs/dbraw/zinc/00/19/84/1013001984.db2.gz KTAFYWISLMPKEG-RTBURBONSA-N 2 2 421.948 3.979 20 0 HHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(-c3ccc(Nc4cc[nH+]cc4)cc3)n2)c1 ZINC000904497979 1071794524 /nfs/dbraw/zinc/79/45/24/1071794524.db2.gz UAHKFRDPABBEIW-UHFFFAOYSA-N 2 2 413.481 3.796 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270971 1072015791 /nfs/dbraw/zinc/01/57/91/1072015791.db2.gz APHWYXXYMWYBEZ-GGAORHGYSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@H+]1CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270971 1072015802 /nfs/dbraw/zinc/01/58/02/1072015802.db2.gz APHWYXXYMWYBEZ-GGAORHGYSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270971 1072015812 /nfs/dbraw/zinc/01/58/12/1072015812.db2.gz APHWYXXYMWYBEZ-GGAORHGYSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270971 1072015826 /nfs/dbraw/zinc/01/58/26/1072015826.db2.gz APHWYXXYMWYBEZ-GGAORHGYSA-N 2 2 413.512 3.791 20 0 HHADLP Cc1[nH+]cc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000571095144 1072560707 /nfs/dbraw/zinc/56/07/07/1072560707.db2.gz DJGMTKVHGGMHSM-RUZDIDTESA-N 2 2 415.585 3.573 20 0 HHADLP Cc1[nH+]cc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000571095144 1072560716 /nfs/dbraw/zinc/56/07/16/1072560716.db2.gz DJGMTKVHGGMHSM-RUZDIDTESA-N 2 2 415.585 3.573 20 0 HHADLP COc1ccc([C@H](CCC(C)C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000571469411 1072629237 /nfs/dbraw/zinc/62/92/37/1072629237.db2.gz UODGJFIQNJLYIM-VYTWWXLVSA-N 2 2 401.595 3.846 20 0 HHADLP COc1ccc([C@H](CCC(C)C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000571469411 1072629243 /nfs/dbraw/zinc/62/92/43/1072629243.db2.gz UODGJFIQNJLYIM-VYTWWXLVSA-N 2 2 401.595 3.846 20 0 HHADLP Cc1cccc(C2(CNC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000588975992 1073367684 /nfs/dbraw/zinc/36/76/84/1073367684.db2.gz JTIYWRYVHXUUFL-UHFFFAOYSA-N 2 2 412.622 3.665 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156898 1073599652 /nfs/dbraw/zinc/59/96/52/1073599652.db2.gz FVXOGLXEEMIMGI-XQBPLPMBSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156898 1073599657 /nfs/dbraw/zinc/59/96/57/1073599657.db2.gz FVXOGLXEEMIMGI-XQBPLPMBSA-N 2 2 409.578 3.977 20 0 HHADLP Fc1ccc(CC2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC000555572041 1073639831 /nfs/dbraw/zinc/63/98/31/1073639831.db2.gz HSLHLLRJPYJHJC-UHFFFAOYSA-N 2 2 411.565 3.719 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2=O)ccc1Br ZINC000555598148 1073664182 /nfs/dbraw/zinc/66/41/82/1073664182.db2.gz PEKQPBJIEIDRDS-FPOVZHCZSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)C2=O)ccc1Br ZINC000555598148 1073664185 /nfs/dbraw/zinc/66/41/85/1073664185.db2.gz PEKQPBJIEIDRDS-FPOVZHCZSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598148 1073664191 /nfs/dbraw/zinc/66/41/91/1073664191.db2.gz PEKQPBJIEIDRDS-FPOVZHCZSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598148 1073664197 /nfs/dbraw/zinc/66/41/97/1073664197.db2.gz PEKQPBJIEIDRDS-FPOVZHCZSA-N 2 2 420.395 3.671 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000590846084 1074015392 /nfs/dbraw/zinc/01/53/92/1074015392.db2.gz GWEHWYKEPPQPDF-MOPGFXCFSA-N 2 2 401.580 3.764 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853314 1074018424 /nfs/dbraw/zinc/01/84/24/1074018424.db2.gz ZDPUTJXBMOUUOX-WOJBJXKFSA-N 2 2 401.942 3.720 20 0 HHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC000573172979 1074247326 /nfs/dbraw/zinc/24/73/26/1074247326.db2.gz OOZXQCUKFVLKPZ-UHFFFAOYSA-N 2 2 413.157 3.958 20 0 HHADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000573242380 1074321216 /nfs/dbraw/zinc/32/12/16/1074321216.db2.gz LHCSUQSBLAVWEV-UHFFFAOYSA-N 2 2 405.321 3.733 20 0 HHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591522298 1074363919 /nfs/dbraw/zinc/36/39/19/1074363919.db2.gz CWGFWXLESZDNGO-OAQYLSRUSA-N 2 2 424.589 3.984 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000591522429 1074364650 /nfs/dbraw/zinc/36/46/50/1074364650.db2.gz WJUOVDZANALABG-UXHICEINSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000591522429 1074364656 /nfs/dbraw/zinc/36/46/56/1074364656.db2.gz WJUOVDZANALABG-UXHICEINSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000591523343 1074366481 /nfs/dbraw/zinc/36/64/81/1074366481.db2.gz ZMBRBHXUTXTXPJ-VQTJNVASSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000591523343 1074366486 /nfs/dbraw/zinc/36/64/86/1074366486.db2.gz ZMBRBHXUTXTXPJ-VQTJNVASSA-N 2 2 402.583 3.856 20 0 HHADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000591543437 1074380482 /nfs/dbraw/zinc/38/04/82/1074380482.db2.gz UOPGLOSGXVXTBJ-UHFFFAOYSA-N 2 2 416.654 3.811 20 0 HHADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000591543437 1074380491 /nfs/dbraw/zinc/38/04/91/1074380491.db2.gz UOPGLOSGXVXTBJ-UHFFFAOYSA-N 2 2 416.654 3.811 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCc1cscn1 ZINC000591640622 1074472843 /nfs/dbraw/zinc/47/28/43/1074472843.db2.gz AUZTUHNQUZYRMM-UHFFFAOYSA-N 2 2 418.632 3.533 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCc1cscn1 ZINC000591640622 1074472846 /nfs/dbraw/zinc/47/28/46/1074472846.db2.gz AUZTUHNQUZYRMM-UHFFFAOYSA-N 2 2 418.632 3.533 20 0 HHADLP Cc1cn2c(C[NH2+]CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)nc2s1 ZINC000593313961 1075191088 /nfs/dbraw/zinc/19/10/88/1075191088.db2.gz SHKXBRKEIORIMO-UHFFFAOYSA-N 2 2 418.010 3.968 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000593500276 1075204961 /nfs/dbraw/zinc/20/49/61/1075204961.db2.gz APWNULWKCQVKKU-UHFFFAOYSA-N 2 2 407.518 3.584 20 0 HHADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)CC1 ZINC000574319614 1075219933 /nfs/dbraw/zinc/21/99/33/1075219933.db2.gz JNUUPRYUBNFMNV-UHFFFAOYSA-N 2 2 400.792 3.562 20 0 HHADLP CCC[N@H+](C)[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000574406369 1075237583 /nfs/dbraw/zinc/23/75/83/1075237583.db2.gz NWTFKYDZGUSECK-FQEVSTJZSA-N 2 2 417.985 3.798 20 0 HHADLP CCC[N@@H+](C)[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000574406369 1075237585 /nfs/dbraw/zinc/23/75/85/1075237585.db2.gz NWTFKYDZGUSECK-FQEVSTJZSA-N 2 2 417.985 3.798 20 0 HHADLP C[C@@H]1[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000574482940 1075254124 /nfs/dbraw/zinc/25/41/24/1075254124.db2.gz YPGUKFZZSNTWEA-TZIWHRDSSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]1[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000574482940 1075254129 /nfs/dbraw/zinc/25/41/29/1075254129.db2.gz YPGUKFZZSNTWEA-TZIWHRDSSA-N 2 2 419.529 3.747 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594292011 1075278601 /nfs/dbraw/zinc/27/86/01/1075278601.db2.gz ZVJPFAIQJGOSII-YLJYHZDGSA-N 2 2 422.976 3.886 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474350 1075618681 /nfs/dbraw/zinc/61/86/81/1075618681.db2.gz OCIOVMXGFVZOMV-WDSOQIARSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474350 1075618686 /nfs/dbraw/zinc/61/86/86/1075618686.db2.gz OCIOVMXGFVZOMV-WDSOQIARSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474349 1075618717 /nfs/dbraw/zinc/61/87/17/1075618717.db2.gz OCIOVMXGFVZOMV-UHOSZYNNSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474349 1075618719 /nfs/dbraw/zinc/61/87/19/1075618719.db2.gz OCIOVMXGFVZOMV-UHOSZYNNSA-N 2 2 410.389 3.724 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476420 1075619691 /nfs/dbraw/zinc/61/96/91/1075619691.db2.gz DOAVZQCYTOLCHG-KXBFYZLASA-N 2 2 412.405 3.799 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476420 1075619692 /nfs/dbraw/zinc/61/96/92/1075619692.db2.gz DOAVZQCYTOLCHG-KXBFYZLASA-N 2 2 412.405 3.799 20 0 HHADLP CN(C(=O)C1(c2cccc(F)c2)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478249 1075620568 /nfs/dbraw/zinc/62/05/68/1075620568.db2.gz AVJGZXXJCRNDHV-JOCHJYFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)C1(c2cccc(F)c2)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478249 1075620570 /nfs/dbraw/zinc/62/05/70/1075620570.db2.gz AVJGZXXJCRNDHV-JOCHJYFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478788 1075620935 /nfs/dbraw/zinc/62/09/35/1075620935.db2.gz HMMPGDWGPLKLPO-JOCHJYFZSA-N 2 2 406.574 3.695 20 0 HHADLP CN(C(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478788 1075620937 /nfs/dbraw/zinc/62/09/37/1075620937.db2.gz HMMPGDWGPLKLPO-JOCHJYFZSA-N 2 2 406.574 3.695 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@@H]4CC[N@@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479425 1075621060 /nfs/dbraw/zinc/62/10/60/1075621060.db2.gz YZOKLNCQNHFJNE-FXAWDEMLSA-N 2 2 408.590 3.533 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@@H]4CC[N@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479425 1075621061 /nfs/dbraw/zinc/62/10/61/1075621061.db2.gz YZOKLNCQNHFJNE-FXAWDEMLSA-N 2 2 408.590 3.533 20 0 HHADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478753 1075621524 /nfs/dbraw/zinc/62/15/24/1075621524.db2.gz GONLIBAOOORYPO-UNMCSNQZSA-N 2 2 401.595 3.594 20 0 HHADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478753 1075621526 /nfs/dbraw/zinc/62/15/26/1075621526.db2.gz GONLIBAOOORYPO-UNMCSNQZSA-N 2 2 401.595 3.594 20 0 HHADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478750 1075621561 /nfs/dbraw/zinc/62/15/61/1075621561.db2.gz GONLIBAOOORYPO-IFMALSPDSA-N 2 2 401.595 3.594 20 0 HHADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478750 1075621562 /nfs/dbraw/zinc/62/15/62/1075621562.db2.gz GONLIBAOOORYPO-IFMALSPDSA-N 2 2 401.595 3.594 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193179 1075710366 /nfs/dbraw/zinc/71/03/66/1075710366.db2.gz BDNLYWYBGFYPOC-YSIASYRMSA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193179 1075710372 /nfs/dbraw/zinc/71/03/72/1075710372.db2.gz BDNLYWYBGFYPOC-YSIASYRMSA-N 2 2 424.614 3.631 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195119 1075710842 /nfs/dbraw/zinc/71/08/42/1075710842.db2.gz KZIHGXYYHSNNKJ-HIFRSBDPSA-N 2 2 416.418 3.759 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195119 1075710848 /nfs/dbraw/zinc/71/08/48/1075710848.db2.gz KZIHGXYYHSNNKJ-HIFRSBDPSA-N 2 2 416.418 3.759 20 0 HHADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC2)CC1 ZINC001164616452 719026627 /nfs/dbraw/zinc/02/66/27/719026627.db2.gz FMYHOXGHHACNPQ-UHFFFAOYSA-N 2 2 411.546 3.796 20 0 HHADLP Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2c(C)cccc12 ZINC001164826515 720295815 /nfs/dbraw/zinc/29/58/15/720295815.db2.gz VLRAPPUUBKBFOK-VXKWHMMOSA-N 2 2 406.574 3.763 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001164827774 720310499 /nfs/dbraw/zinc/31/04/99/720310499.db2.gz XXKSGNRJZNUZFN-NHCUHLMSSA-N 2 2 412.965 3.800 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1N1CCCC1 ZINC001164840951 720656028 /nfs/dbraw/zinc/65/60/28/720656028.db2.gz OHDANMCPTNANAP-JOCHJYFZSA-N 2 2 421.589 3.645 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1N1CCCC1 ZINC001164840951 720656038 /nfs/dbraw/zinc/65/60/38/720656038.db2.gz OHDANMCPTNANAP-JOCHJYFZSA-N 2 2 421.589 3.645 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164841954 720703085 /nfs/dbraw/zinc/70/30/85/720703085.db2.gz KNIWOUFXBBXBKW-NRFANRHFSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164841954 720703094 /nfs/dbraw/zinc/70/30/94/720703094.db2.gz KNIWOUFXBBXBKW-NRFANRHFSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164841954 720703110 /nfs/dbraw/zinc/70/31/10/720703110.db2.gz KNIWOUFXBBXBKW-NRFANRHFSA-N 2 2 409.578 3.583 20 0 HHADLP CCN(CC)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164841954 720703119 /nfs/dbraw/zinc/70/31/19/720703119.db2.gz KNIWOUFXBBXBKW-NRFANRHFSA-N 2 2 409.578 3.583 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001164780864 721366802 /nfs/dbraw/zinc/36/68/02/721366802.db2.gz IIJOIIUHNXAHTB-HSZRJFAPSA-N 2 2 413.566 3.632 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)[nH+]c(C(C)C)n3)C2)C1 ZINC001164780864 721366805 /nfs/dbraw/zinc/36/68/05/721366805.db2.gz IIJOIIUHNXAHTB-HSZRJFAPSA-N 2 2 413.566 3.632 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH+]cn2)C1 ZINC001164795403 721501969 /nfs/dbraw/zinc/50/19/69/721501969.db2.gz GFZLYIWBROMSPJ-HXUWFJFHSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH+]cn2)C1 ZINC001164795403 721501971 /nfs/dbraw/zinc/50/19/71/721501971.db2.gz GFZLYIWBROMSPJ-HXUWFJFHSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc[nH+]2)C1 ZINC001164795403 721501972 /nfs/dbraw/zinc/50/19/72/721501972.db2.gz GFZLYIWBROMSPJ-HXUWFJFHSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc[nH+]2)C1 ZINC001164795403 721501974 /nfs/dbraw/zinc/50/19/74/721501974.db2.gz GFZLYIWBROMSPJ-HXUWFJFHSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH+]cn2)C1 ZINC001164795401 721502611 /nfs/dbraw/zinc/50/26/11/721502611.db2.gz GFZLYIWBROMSPJ-FQEVSTJZSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH+]cn2)C1 ZINC001164795401 721502616 /nfs/dbraw/zinc/50/26/16/721502616.db2.gz GFZLYIWBROMSPJ-FQEVSTJZSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc[nH+]2)C1 ZINC001164795401 721502619 /nfs/dbraw/zinc/50/26/19/721502619.db2.gz GFZLYIWBROMSPJ-FQEVSTJZSA-N 2 2 420.605 3.989 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc[nH+]2)C1 ZINC001164795401 721502625 /nfs/dbraw/zinc/50/26/25/721502625.db2.gz GFZLYIWBROMSPJ-FQEVSTJZSA-N 2 2 420.605 3.989 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164907357 721537295 /nfs/dbraw/zinc/53/72/95/721537295.db2.gz NCHJBJVZPFMPKX-UYAOXDASSA-N 2 2 423.488 3.733 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164907357 721537298 /nfs/dbraw/zinc/53/72/98/721537298.db2.gz NCHJBJVZPFMPKX-UYAOXDASSA-N 2 2 423.488 3.733 20 0 HHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1NC(C)C ZINC001164904420 721582748 /nfs/dbraw/zinc/58/27/48/721582748.db2.gz QCPWKPLILXYEKA-OAQYLSRUSA-N 2 2 416.520 3.738 20 0 HHADLP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1NC(C)C ZINC001164904420 721582750 /nfs/dbraw/zinc/58/27/50/721582750.db2.gz QCPWKPLILXYEKA-OAQYLSRUSA-N 2 2 416.520 3.738 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1N1CCCC1 ZINC001165024012 721797818 /nfs/dbraw/zinc/79/78/18/721797818.db2.gz KQMTYYCHKNCPLE-NNWRFLSQSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1N1CCCC1 ZINC001165024012 721797819 /nfs/dbraw/zinc/79/78/19/721797819.db2.gz KQMTYYCHKNCPLE-NNWRFLSQSA-N 2 2 406.578 3.517 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc[nH+]2)C1 ZINC001164962757 722023329 /nfs/dbraw/zinc/02/33/29/722023329.db2.gz RVLZLCXBTXJZAM-HXUWFJFHSA-N 2 2 406.578 3.600 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc[nH+]2)C1 ZINC001164962757 722023333 /nfs/dbraw/zinc/02/33/33/722023333.db2.gz RVLZLCXBTXJZAM-HXUWFJFHSA-N 2 2 406.578 3.600 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301221266 970816566 /nfs/dbraw/zinc/81/65/66/970816566.db2.gz AGNCQGTUHNIYKB-NJDAHSKKSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301221266 970816580 /nfs/dbraw/zinc/81/65/80/970816580.db2.gz AGNCQGTUHNIYKB-NJDAHSKKSA-N 2 2 423.605 3.775 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCCC4)cc3)[nH+]cn2)C1 ZINC000301266600 970842848 /nfs/dbraw/zinc/84/28/48/970842848.db2.gz UJBCIZWIWHDTMN-JOCHJYFZSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCCC4)cc3)nc[nH+]2)C1 ZINC000301266600 970842854 /nfs/dbraw/zinc/84/28/54/970842854.db2.gz UJBCIZWIWHDTMN-JOCHJYFZSA-N 2 2 409.578 3.673 20 0 HHADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000301561171 970980503 /nfs/dbraw/zinc/98/05/03/970980503.db2.gz UJVUZYPPQIYTCW-UHFFFAOYSA-N 2 2 422.602 3.680 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541533 1013056989 /nfs/dbraw/zinc/05/69/89/1013056989.db2.gz RDFCLSCWYIIREX-XBYSBRQOSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541533 1013057004 /nfs/dbraw/zinc/05/70/04/1013057004.db2.gz RDFCLSCWYIIREX-XBYSBRQOSA-N 2 2 422.658 3.559 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302795022 971320845 /nfs/dbraw/zinc/32/08/45/971320845.db2.gz OHXAOERRAFDVTL-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302795022 971320848 /nfs/dbraw/zinc/32/08/48/971320848.db2.gz OHXAOERRAFDVTL-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302795022 971320852 /nfs/dbraw/zinc/32/08/52/971320852.db2.gz OHXAOERRAFDVTL-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302795022 971320854 /nfs/dbraw/zinc/32/08/54/971320854.db2.gz OHXAOERRAFDVTL-SIKLNZKXSA-N 2 2 409.578 3.814 20 0 HHADLP C[NH+](C)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000302852607 971354098 /nfs/dbraw/zinc/35/40/98/971354098.db2.gz QKVYMEWSZWHKME-MRXNPFEDSA-N 2 2 411.497 3.763 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303160642 971534874 /nfs/dbraw/zinc/53/48/74/971534874.db2.gz HBBJXMYKBSWZPD-HXUWFJFHSA-N 2 2 409.578 3.624 20 0 HHADLP O=C(CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000303366172 971661216 /nfs/dbraw/zinc/66/12/16/971661216.db2.gz IQDODHYAJBUBQT-HSZRJFAPSA-N 2 2 417.557 3.829 20 0 HHADLP O=C(CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000303366172 971661220 /nfs/dbraw/zinc/66/12/20/971661220.db2.gz IQDODHYAJBUBQT-HSZRJFAPSA-N 2 2 417.557 3.829 20 0 HHADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000303391741 971679074 /nfs/dbraw/zinc/67/90/74/971679074.db2.gz NJQHYOSGJORQCZ-XMMPIXPASA-N 2 2 420.557 3.605 20 0 HHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000303391741 971679095 /nfs/dbraw/zinc/67/90/95/971679095.db2.gz NJQHYOSGJORQCZ-XMMPIXPASA-N 2 2 420.557 3.605 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610073 971897422 /nfs/dbraw/zinc/89/74/22/971897422.db2.gz LFSYYHIEVXUBHM-PZJWPPBQSA-N 2 2 419.585 3.625 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610073 971897425 /nfs/dbraw/zinc/89/74/25/971897425.db2.gz LFSYYHIEVXUBHM-PZJWPPBQSA-N 2 2 419.585 3.625 20 0 HHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000524303494 1013116467 /nfs/dbraw/zinc/11/64/67/1013116467.db2.gz NMHZZEGZHHKTDK-UHFFFAOYSA-N 2 2 405.546 3.725 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178233 1013116695 /nfs/dbraw/zinc/11/66/95/1013116695.db2.gz ABSMJNNHAXSHIK-FCHUYYIVSA-N 2 2 416.610 3.526 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178233 1013116702 /nfs/dbraw/zinc/11/67/02/1013116702.db2.gz ABSMJNNHAXSHIK-FCHUYYIVSA-N 2 2 416.610 3.526 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180064 1013118779 /nfs/dbraw/zinc/11/87/79/1013118779.db2.gz SNZLVDVIEFXFMH-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180064 1013118783 /nfs/dbraw/zinc/11/87/83/1013118783.db2.gz SNZLVDVIEFXFMH-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732800 971985157 /nfs/dbraw/zinc/98/51/57/971985157.db2.gz FHDCSEAWUBLGMT-IRLDBZIGSA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732800 971985172 /nfs/dbraw/zinc/98/51/72/971985172.db2.gz FHDCSEAWUBLGMT-IRLDBZIGSA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732802 971985199 /nfs/dbraw/zinc/98/51/99/971985199.db2.gz FHDCSEAWUBLGMT-UNMCSNQZSA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732802 971985203 /nfs/dbraw/zinc/98/52/03/971985203.db2.gz FHDCSEAWUBLGMT-UNMCSNQZSA-N 2 2 407.558 3.644 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303826057 972361697 /nfs/dbraw/zinc/36/16/97/972361697.db2.gz KTPVCLFGQUWGKW-LJQANCHMSA-N 2 2 421.520 3.817 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000303826057 972361707 /nfs/dbraw/zinc/36/17/07/972361707.db2.gz KTPVCLFGQUWGKW-LJQANCHMSA-N 2 2 421.520 3.817 20 0 HHADLP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000303844020 972382057 /nfs/dbraw/zinc/38/20/57/972382057.db2.gz QSJMHQLPCFDEFS-SPEDKVCISA-N 2 2 404.599 3.784 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)c2ccccc2)CC1 ZINC000537727744 1013288645 /nfs/dbraw/zinc/28/86/45/1013288645.db2.gz PYZJGUMXRSTDGR-VWLOTQADSA-N 2 2 416.569 3.739 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c(Cl)cccc3N3CC[NH+](C)CC3)cn2)n1 ZINC000537750150 1013313321 /nfs/dbraw/zinc/31/33/21/1013313321.db2.gz UPPWDWSNHNMRQZ-UHFFFAOYSA-N 2 2 424.980 3.579 20 0 HHADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)s1 ZINC000542533017 1013477348 /nfs/dbraw/zinc/47/73/48/1013477348.db2.gz NESOARFZSHFWOG-KRWDZBQOSA-N 2 2 415.607 3.586 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797785 964400009 /nfs/dbraw/zinc/40/00/09/964400009.db2.gz AVWJRWGTUHKPKY-LJQANCHMSA-N 2 2 401.595 3.561 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3coc4ccc5ccccc5c34)CC2)CC1 ZINC000050802773 964401741 /nfs/dbraw/zinc/40/17/41/964401741.db2.gz QHXUGYHDUSQZHC-UHFFFAOYSA-N 2 2 405.542 3.803 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000026364995 964540494 /nfs/dbraw/zinc/54/04/94/964540494.db2.gz VOFOUZQXWUSZGG-ROUUACIJSA-N 2 2 415.965 3.528 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000537918369 1013503668 /nfs/dbraw/zinc/50/36/68/1013503668.db2.gz OGMQIDPCHDEFBT-JOCHJYFZSA-N 2 2 407.602 3.593 20 0 HHADLP CCc1ccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759356 964689126 /nfs/dbraw/zinc/68/91/26/964689126.db2.gz YXUUDZZCOPVBTD-HSZRJFAPSA-N 2 2 400.611 3.804 20 0 HHADLP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761115 964690269 /nfs/dbraw/zinc/69/02/69/964690269.db2.gz SIHRUTJKUPYCPM-DNQXCXABSA-N 2 2 412.622 3.913 20 0 HHADLP Clc1ccc(Cc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000051957239 964750665 /nfs/dbraw/zinc/75/06/65/964750665.db2.gz ZELYKERGBDYEJF-UHFFFAOYSA-N 2 2 405.995 3.932 20 0 HHADLP Cc1ccc([C@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+]2CCCC2)o1 ZINC000542604809 1013540483 /nfs/dbraw/zinc/54/04/83/1013540483.db2.gz DSLMRMSBQIJJOT-NRFANRHFSA-N 2 2 419.529 3.865 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000542618622 1013554638 /nfs/dbraw/zinc/55/46/38/1013554638.db2.gz LVSQITUZFVCUCX-SVMVAKDDSA-N 2 2 407.562 3.875 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000542618622 1013554645 /nfs/dbraw/zinc/55/46/45/1013554645.db2.gz LVSQITUZFVCUCX-SVMVAKDDSA-N 2 2 407.562 3.875 20 0 HHADLP CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000053644189 965238150 /nfs/dbraw/zinc/23/81/50/965238150.db2.gz WARJDEOMLXWOMD-QHCPKHFHSA-N 2 2 413.537 3.973 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000054102699 965384389 /nfs/dbraw/zinc/38/43/89/965384389.db2.gz QXTXKHTVCIXPBY-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccsc1 ZINC000054609754 965583164 /nfs/dbraw/zinc/58/31/64/965583164.db2.gz LRZAVSOGEAZHOC-LJQANCHMSA-N 2 2 412.563 3.520 20 0 HHADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153105 965620958 /nfs/dbraw/zinc/62/09/58/965620958.db2.gz DDVBVLFVXWELLS-RXVVDRJESA-N 2 2 408.546 3.501 20 0 HHADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)o1 ZINC000030153105 965620977 /nfs/dbraw/zinc/62/09/77/965620977.db2.gz DDVBVLFVXWELLS-RXVVDRJESA-N 2 2 408.546 3.501 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000542665331 1013591032 /nfs/dbraw/zinc/59/10/32/1013591032.db2.gz JEEGHIBECJNJKG-JAXLGGSGSA-N 2 2 400.588 3.657 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000542665331 1013591040 /nfs/dbraw/zinc/59/10/40/1013591040.db2.gz JEEGHIBECJNJKG-JAXLGGSGSA-N 2 2 400.588 3.657 20 0 HHADLP CC(C)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030959354 965840985 /nfs/dbraw/zinc/84/09/85/965840985.db2.gz ACWIAWBYBPFVNK-NRFANRHFSA-N 2 2 423.601 3.779 20 0 HHADLP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030959354 965840994 /nfs/dbraw/zinc/84/09/94/965840994.db2.gz ACWIAWBYBPFVNK-NRFANRHFSA-N 2 2 423.601 3.779 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058884207 965940543 /nfs/dbraw/zinc/94/05/43/965940543.db2.gz UZTHWANKMONUSW-MXNKGDRCSA-N 2 2 401.620 3.640 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058884207 965940545 /nfs/dbraw/zinc/94/05/45/965940545.db2.gz UZTHWANKMONUSW-MXNKGDRCSA-N 2 2 401.620 3.640 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000035015692 966417711 /nfs/dbraw/zinc/41/77/11/966417711.db2.gz BNTCRGPVGRHRAT-UHFFFAOYSA-N 2 2 406.162 3.796 20 0 HHADLP COc1c(Br)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000036325163 966430455 /nfs/dbraw/zinc/43/04/55/966430455.db2.gz FLIVDHKJMNZORB-UHFFFAOYSA-N 2 2 418.173 3.937 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056848483 966492736 /nfs/dbraw/zinc/49/27/36/966492736.db2.gz ZWRZQSXRWWGACL-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056848483 966492737 /nfs/dbraw/zinc/49/27/37/966492737.db2.gz ZWRZQSXRWWGACL-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000061789758 966554234 /nfs/dbraw/zinc/55/42/34/966554234.db2.gz SSMCOQWKBSJHDT-UHFFFAOYSA-N 2 2 410.587 3.585 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542759195 1013665055 /nfs/dbraw/zinc/66/50/55/1013665055.db2.gz TXPCGZILUHFCSN-XMCHAPAWSA-N 2 2 410.965 3.596 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542759195 1013665062 /nfs/dbraw/zinc/66/50/62/1013665062.db2.gz TXPCGZILUHFCSN-XMCHAPAWSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)o1 ZINC000042063346 966700435 /nfs/dbraw/zinc/70/04/35/966700435.db2.gz VSIKBWCQJMBPJO-UHFFFAOYSA-N 2 2 406.530 3.628 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)n2)C1 ZINC000043546573 966995418 /nfs/dbraw/zinc/99/54/18/966995418.db2.gz PXTDZOGTNFJNNZ-GOSISDBHSA-N 2 2 415.607 3.971 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3ccccc3)n2)C1 ZINC000043546573 966995422 /nfs/dbraw/zinc/99/54/22/966995422.db2.gz PXTDZOGTNFJNNZ-GOSISDBHSA-N 2 2 415.607 3.971 20 0 HHADLP C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908967 1013693198 /nfs/dbraw/zinc/69/31/98/1013693198.db2.gz CLGYBUUYCHSWRO-PGRDOPGGSA-N 2 2 410.587 3.652 20 0 HHADLP C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908967 1013693207 /nfs/dbraw/zinc/69/32/07/1013693207.db2.gz CLGYBUUYCHSWRO-PGRDOPGGSA-N 2 2 410.587 3.652 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000044849933 967303000 /nfs/dbraw/zinc/30/30/00/967303000.db2.gz HQURSLXRYLCFLZ-HNNXBMFYSA-N 2 2 407.345 3.778 20 0 HHADLP O=C(Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000065274801 967423480 /nfs/dbraw/zinc/42/34/80/967423480.db2.gz WWCNSFJZNCUKQR-SFHVURJKSA-N 2 2 422.356 3.792 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211293 1013764582 /nfs/dbraw/zinc/76/45/82/1013764582.db2.gz SWABPWOOGCRIGA-UUOWRZLLSA-N 2 2 424.564 3.638 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000047778054 968309606 /nfs/dbraw/zinc/30/96/06/968309606.db2.gz GXCZALGWKAGMOK-IEBWSBKVSA-N 2 2 416.591 3.614 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000047778054 968309617 /nfs/dbraw/zinc/30/96/17/968309617.db2.gz GXCZALGWKAGMOK-IEBWSBKVSA-N 2 2 416.591 3.614 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260875 1013801956 /nfs/dbraw/zinc/80/19/56/1013801956.db2.gz KICAUWYLMVYTAD-DQEYMECFSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260875 1013801965 /nfs/dbraw/zinc/80/19/65/1013801965.db2.gz KICAUWYLMVYTAD-DQEYMECFSA-N 2 2 421.564 3.617 20 0 HHADLP C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000078883405 969022494 /nfs/dbraw/zinc/02/24/94/969022494.db2.gz GWHQSKWGTDYFSQ-HXUWFJFHSA-N 2 2 402.542 3.832 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000078883402 969022555 /nfs/dbraw/zinc/02/25/55/969022555.db2.gz GWHQSKWGTDYFSQ-FQEVSTJZSA-N 2 2 402.542 3.832 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000107938653 969346777 /nfs/dbraw/zinc/34/67/77/969346777.db2.gz GSBMRFKELODWHX-PMACEKPBSA-N 2 2 401.599 3.629 20 0 HHADLP Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112681258 969824305 /nfs/dbraw/zinc/82/43/05/969824305.db2.gz TVNHNORQPYXUFR-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112681258 969824313 /nfs/dbraw/zinc/82/43/13/969824313.db2.gz TVNHNORQPYXUFR-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000210024322 970024637 /nfs/dbraw/zinc/02/46/37/970024637.db2.gz UIDSMWRIGJLFEI-RUZDIDTESA-N 2 2 411.549 3.635 20 0 HHADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000554414862 1013939684 /nfs/dbraw/zinc/93/96/84/1013939684.db2.gz ITVQHCCHDLRHJG-UHFFFAOYSA-N 2 2 410.587 3.584 20 0 HHADLP CCCCOc1ccc(OC)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000215981415 970058842 /nfs/dbraw/zinc/05/88/42/970058842.db2.gz WIQCDHLPWVJXHO-UHFFFAOYSA-N 2 2 418.582 3.554 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000215990252 970059552 /nfs/dbraw/zinc/05/95/52/970059552.db2.gz FOMJUJMPQYHNJH-UHFFFAOYSA-N 2 2 420.601 3.676 20 0 HHADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000236732629 970165144 /nfs/dbraw/zinc/16/51/44/970165144.db2.gz KKBZBEVIBOQIQY-UHFFFAOYSA-N 2 2 404.352 3.999 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000237178441 970236862 /nfs/dbraw/zinc/23/68/62/970236862.db2.gz XFBFWSKXJJBKGS-UHFFFAOYSA-N 2 2 401.938 3.936 20 0 HHADLP COc1cc2c(cc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000237291089 970257232 /nfs/dbraw/zinc/25/72/32/970257232.db2.gz DYXPCMDUGKCQIC-MRXNPFEDSA-N 2 2 415.965 3.714 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237400797 970277553 /nfs/dbraw/zinc/27/75/53/970277553.db2.gz BJTLDONDQTYLNO-PGRDOPGGSA-N 2 2 411.546 3.848 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1)c1ccccc1 ZINC000237402815 970278380 /nfs/dbraw/zinc/27/83/80/970278380.db2.gz QWYDDKYPGFZVCQ-LJQANCHMSA-N 2 2 417.594 3.876 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)cn1 ZINC000237650376 970329610 /nfs/dbraw/zinc/32/96/10/970329610.db2.gz QNDBVKXRNCAGAD-UHFFFAOYSA-N 2 2 411.303 3.904 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000554678882 1014010174 /nfs/dbraw/zinc/01/01/74/1014010174.db2.gz NVTKVJZSPMAJLK-LJQANCHMSA-N 2 2 407.562 3.604 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(c2ccccc2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000303971157 972558885 /nfs/dbraw/zinc/55/88/85/972558885.db2.gz SNWPZZLDZNXZKK-UHFFFAOYSA-N 2 2 405.586 3.885 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000554841389 1014070278 /nfs/dbraw/zinc/07/02/78/1014070278.db2.gz FNOTYUITFHCTPV-HSZRJFAPSA-N 2 2 423.557 3.677 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000554841389 1014070281 /nfs/dbraw/zinc/07/02/81/1014070281.db2.gz FNOTYUITFHCTPV-HSZRJFAPSA-N 2 2 423.557 3.677 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000410139621 973627902 /nfs/dbraw/zinc/62/79/02/973627902.db2.gz MOOLEZAURXITKP-UHFFFAOYSA-N 2 2 423.948 3.979 20 0 HHADLP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425928512 974039036 /nfs/dbraw/zinc/03/90/36/974039036.db2.gz VWWZSUJQUYIOIB-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425928512 974039045 /nfs/dbraw/zinc/03/90/45/974039045.db2.gz VWWZSUJQUYIOIB-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425928512 974039053 /nfs/dbraw/zinc/03/90/53/974039053.db2.gz VWWZSUJQUYIOIB-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1cccc(OCC(F)(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425928512 974039058 /nfs/dbraw/zinc/03/90/58/974039058.db2.gz VWWZSUJQUYIOIB-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426012224 974130486 /nfs/dbraw/zinc/13/04/86/974130486.db2.gz CGHFYUATANJIIN-COPCDDAFSA-N 2 2 409.578 3.921 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426012224 974130490 /nfs/dbraw/zinc/13/04/90/974130490.db2.gz CGHFYUATANJIIN-COPCDDAFSA-N 2 2 409.578 3.921 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC000426030936 974152208 /nfs/dbraw/zinc/15/22/08/974152208.db2.gz WCRGCWLOHNDOTQ-YTFSRNRJSA-N 2 2 421.520 3.853 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000426245869 974340495 /nfs/dbraw/zinc/34/04/95/974340495.db2.gz XGJAUWNIYFWARM-XZOQPEGZSA-N 2 2 403.530 3.673 20 0 HHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000426455213 974461108 /nfs/dbraw/zinc/46/11/08/974461108.db2.gz BPDCDSWVLOOWEL-UHFFFAOYSA-N 2 2 410.562 3.575 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000426482712 974478610 /nfs/dbraw/zinc/47/86/10/974478610.db2.gz MPMVEJLUNGCIGL-DHIUTWEWSA-N 2 2 421.520 3.812 20 0 HHADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426801351 974670005 /nfs/dbraw/zinc/67/00/05/974670005.db2.gz QZXREJHIHVMZRK-GBESFXJTSA-N 2 2 408.587 3.515 20 0 HHADLP C[N@H+](CCOc1cccc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000426997810 974810115 /nfs/dbraw/zinc/81/01/15/974810115.db2.gz MMRDEAZEODTNMN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP C[N@@H+](CCOc1cccc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000426997810 974810122 /nfs/dbraw/zinc/81/01/22/974810122.db2.gz MMRDEAZEODTNMN-UHFFFAOYSA-N 2 2 418.379 3.862 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000427697622 975242740 /nfs/dbraw/zinc/24/27/40/975242740.db2.gz NGRIELGSQWYFPW-LEWJYISDSA-N 2 2 405.464 3.704 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000427697622 975242745 /nfs/dbraw/zinc/24/27/45/975242745.db2.gz NGRIELGSQWYFPW-LEWJYISDSA-N 2 2 405.464 3.704 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847368 975319561 /nfs/dbraw/zinc/31/95/61/975319561.db2.gz AATSFDOZPKKIIP-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847368 975319567 /nfs/dbraw/zinc/31/95/67/975319567.db2.gz AATSFDOZPKKIIP-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)c1 ZINC000427880735 975331616 /nfs/dbraw/zinc/33/16/16/975331616.db2.gz GURAMESHHQEHSP-WIYYLYMNSA-N 2 2 415.946 3.634 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894175 975336347 /nfs/dbraw/zinc/33/63/47/975336347.db2.gz KKZFGUCJCLENMA-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894175 975336352 /nfs/dbraw/zinc/33/63/52/975336352.db2.gz KKZFGUCJCLENMA-PGRDOPGGSA-N 2 2 401.576 3.763 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258394 975572258 /nfs/dbraw/zinc/57/22/58/975572258.db2.gz FCSAJYIYEHUNPA-HKBOAZHASA-N 2 2 422.495 3.634 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258394 975572271 /nfs/dbraw/zinc/57/22/71/975572271.db2.gz FCSAJYIYEHUNPA-HKBOAZHASA-N 2 2 422.495 3.634 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258399 975572420 /nfs/dbraw/zinc/57/24/20/975572420.db2.gz FCSAJYIYEHUNPA-NJYVYQBISA-N 2 2 422.495 3.634 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428258399 975572434 /nfs/dbraw/zinc/57/24/34/975572434.db2.gz FCSAJYIYEHUNPA-NJYVYQBISA-N 2 2 422.495 3.634 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428432925 975747607 /nfs/dbraw/zinc/74/76/07/975747607.db2.gz AEIKKRLEQGBOSP-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428432925 975747610 /nfs/dbraw/zinc/74/76/10/975747610.db2.gz AEIKKRLEQGBOSP-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432925 975747621 /nfs/dbraw/zinc/74/76/21/975747621.db2.gz AEIKKRLEQGBOSP-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432925 975747630 /nfs/dbraw/zinc/74/76/30/975747630.db2.gz AEIKKRLEQGBOSP-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428478791 975776685 /nfs/dbraw/zinc/77/66/85/975776685.db2.gz JHPRJATXNLTIJB-WIYYLYMNSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000428478791 975776692 /nfs/dbraw/zinc/77/66/92/975776692.db2.gz JHPRJATXNLTIJB-WIYYLYMNSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000428503104 975799720 /nfs/dbraw/zinc/79/97/20/975799720.db2.gz LVLUNWMTYFFYBI-UGKGYDQZSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000428503104 975799730 /nfs/dbraw/zinc/79/97/30/975799730.db2.gz LVLUNWMTYFFYBI-UGKGYDQZSA-N 2 2 403.530 3.725 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428549316 975858377 /nfs/dbraw/zinc/85/83/77/975858377.db2.gz GJQQLRWVIWPGLE-IBGZPJMESA-N 2 2 404.938 3.738 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428549316 975858385 /nfs/dbraw/zinc/85/83/85/975858385.db2.gz GJQQLRWVIWPGLE-IBGZPJMESA-N 2 2 404.938 3.738 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000428566692 975879166 /nfs/dbraw/zinc/87/91/66/975879166.db2.gz MZUXQEHVNYEMQZ-NRFANRHFSA-N 2 2 403.615 3.912 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000428566692 975879178 /nfs/dbraw/zinc/87/91/78/975879178.db2.gz MZUXQEHVNYEMQZ-NRFANRHFSA-N 2 2 403.615 3.912 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000428619207 975925325 /nfs/dbraw/zinc/92/53/25/975925325.db2.gz KHBLYDVOVSICRL-UHFFFAOYSA-N 2 2 421.545 3.786 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000428619207 975925333 /nfs/dbraw/zinc/92/53/33/975925333.db2.gz KHBLYDVOVSICRL-UHFFFAOYSA-N 2 2 421.545 3.786 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000428634896 975936503 /nfs/dbraw/zinc/93/65/03/975936503.db2.gz UKOXPZGHZCQXET-UHFFFAOYSA-N 2 2 421.655 3.619 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000428754502 976028105 /nfs/dbraw/zinc/02/81/05/976028105.db2.gz RLONIFCBQUAHGB-FQEVSTJZSA-N 2 2 415.969 3.851 20 0 HHADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000428863695 976152950 /nfs/dbraw/zinc/15/29/50/976152950.db2.gz RCLHRPAHSWTOAM-IBGZPJMESA-N 2 2 422.976 3.617 20 0 HHADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000428863695 976152960 /nfs/dbraw/zinc/15/29/60/976152960.db2.gz RCLHRPAHSWTOAM-IBGZPJMESA-N 2 2 422.976 3.617 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431842 976711055 /nfs/dbraw/zinc/71/10/55/976711055.db2.gz WRKWFIRRBGNNPQ-PGRDOPGGSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431842 976711058 /nfs/dbraw/zinc/71/10/58/976711058.db2.gz WRKWFIRRBGNNPQ-PGRDOPGGSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441132 976719920 /nfs/dbraw/zinc/71/99/20/976719920.db2.gz JBMYKUVIXCIPNU-RXVVDRJESA-N 2 2 407.558 3.858 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441132 976719928 /nfs/dbraw/zinc/71/99/28/976719928.db2.gz JBMYKUVIXCIPNU-RXVVDRJESA-N 2 2 407.558 3.858 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000429483407 976743889 /nfs/dbraw/zinc/74/38/89/976743889.db2.gz LLLGSEDCNHPEKR-NRFANRHFSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000429483407 976743890 /nfs/dbraw/zinc/74/38/90/976743890.db2.gz LLLGSEDCNHPEKR-NRFANRHFSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000429500789 976756547 /nfs/dbraw/zinc/75/65/47/976756547.db2.gz GOQDTHNKSADEDN-NHCUHLMSSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000429500790 976756612 /nfs/dbraw/zinc/75/66/12/976756612.db2.gz GOQDTHNKSADEDN-RTWAWAEBSA-N 2 2 409.578 3.772 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540602 976803767 /nfs/dbraw/zinc/80/37/67/976803767.db2.gz UABCXWANGVADPY-APWZRJJASA-N 2 2 408.384 3.669 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540602 976803775 /nfs/dbraw/zinc/80/37/75/976803775.db2.gz UABCXWANGVADPY-APWZRJJASA-N 2 2 408.384 3.669 20 0 HHADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429701249 976993607 /nfs/dbraw/zinc/99/36/07/976993607.db2.gz TZGILAYEEYHIHL-XMMPIXPASA-N 2 2 422.573 3.564 20 0 HHADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429701249 976993621 /nfs/dbraw/zinc/99/36/21/976993621.db2.gz TZGILAYEEYHIHL-XMMPIXPASA-N 2 2 422.573 3.564 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000429775427 977060337 /nfs/dbraw/zinc/06/03/37/977060337.db2.gz OZPXYABJOUDEQN-ZWKOTPCHSA-N 2 2 423.483 3.599 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000429775426 977060695 /nfs/dbraw/zinc/06/06/95/977060695.db2.gz OZPXYABJOUDEQN-ROUUACIJSA-N 2 2 423.483 3.599 20 0 HHADLP COc1ccccc1-c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000430069220 977306679 /nfs/dbraw/zinc/30/66/79/977306679.db2.gz UTFBYDYHQSWJNW-SZPZYZBQSA-N 2 2 400.526 3.716 20 0 HHADLP COc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000430069220 977306692 /nfs/dbraw/zinc/30/66/92/977306692.db2.gz UTFBYDYHQSWJNW-SZPZYZBQSA-N 2 2 400.526 3.716 20 0 HHADLP COc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000430069220 977306699 /nfs/dbraw/zinc/30/66/99/977306699.db2.gz UTFBYDYHQSWJNW-SZPZYZBQSA-N 2 2 400.526 3.716 20 0 HHADLP COc1ccccc1-c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000430069220 977306708 /nfs/dbraw/zinc/30/67/08/977306708.db2.gz UTFBYDYHQSWJNW-SZPZYZBQSA-N 2 2 400.526 3.716 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000430441735 977552473 /nfs/dbraw/zinc/55/24/73/977552473.db2.gz XUWJFOPPFGCQGF-IBGZPJMESA-N 2 2 417.985 3.869 20 0 HHADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000430710700 977707051 /nfs/dbraw/zinc/70/70/51/977707051.db2.gz TYMOVQPPNPLWLD-PMACEKPBSA-N 2 2 412.578 3.680 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430917072 977885819 /nfs/dbraw/zinc/88/58/19/977885819.db2.gz JCSQRBXXUWIYMY-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430917072 977885831 /nfs/dbraw/zinc/88/58/31/977885831.db2.gz JCSQRBXXUWIYMY-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000431651669 978411596 /nfs/dbraw/zinc/41/15/96/978411596.db2.gz MPVOXGZHUMAYME-UHFFFAOYSA-N 2 2 401.599 3.629 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000431779023 978506681 /nfs/dbraw/zinc/50/66/81/978506681.db2.gz PTLLOMCAOCGGHQ-XMMPIXPASA-N 2 2 402.542 3.736 20 0 HHADLP CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433118724 979081745 /nfs/dbraw/zinc/08/17/45/979081745.db2.gz YRCXQULOINXHKL-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433118724 979081749 /nfs/dbraw/zinc/08/17/49/979081749.db2.gz YRCXQULOINXHKL-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000433765285 979558825 /nfs/dbraw/zinc/55/88/25/979558825.db2.gz JZLSKPAKKAGPLJ-UHFFFAOYSA-N 2 2 423.605 3.813 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000433765285 979558830 /nfs/dbraw/zinc/55/88/30/979558830.db2.gz JZLSKPAKKAGPLJ-UHFFFAOYSA-N 2 2 423.605 3.813 20 0 HHADLP Cc1nc(-c2ccccc2NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000433785630 979571626 /nfs/dbraw/zinc/57/16/26/979571626.db2.gz SQQZVTWOTHVCDD-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433935181 979694345 /nfs/dbraw/zinc/69/43/45/979694345.db2.gz UJOXWEMKRLSQIA-LJQANCHMSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433935181 979694347 /nfs/dbraw/zinc/69/43/47/979694347.db2.gz UJOXWEMKRLSQIA-LJQANCHMSA-N 2 2 401.599 3.763 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000434174306 979938861 /nfs/dbraw/zinc/93/88/61/979938861.db2.gz PDFGQTRAKMXNPS-UHFFFAOYSA-N 2 2 413.541 3.509 20 0 HHADLP C[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000434175994 979940735 /nfs/dbraw/zinc/94/07/35/979940735.db2.gz XHMCVPKDZDJJFJ-LJQANCHMSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000434175994 979940740 /nfs/dbraw/zinc/94/07/40/979940740.db2.gz XHMCVPKDZDJJFJ-LJQANCHMSA-N 2 2 409.578 3.629 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434188971 979954202 /nfs/dbraw/zinc/95/42/02/979954202.db2.gz LDEVZTZKFWOSIC-DHIUTWEWSA-N 2 2 422.573 3.717 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434188971 979954211 /nfs/dbraw/zinc/95/42/11/979954211.db2.gz LDEVZTZKFWOSIC-DHIUTWEWSA-N 2 2 422.573 3.717 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@@H+]1Cc1ccccc1 ZINC000434288493 980049180 /nfs/dbraw/zinc/04/91/80/980049180.db2.gz RFMDMKZQJRWNMF-UGKGYDQZSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@H+]1Cc1ccccc1 ZINC000434288493 980049185 /nfs/dbraw/zinc/04/91/85/980049185.db2.gz RFMDMKZQJRWNMF-UGKGYDQZSA-N 2 2 421.589 3.771 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000434389960 980134279 /nfs/dbraw/zinc/13/42/79/980134279.db2.gz ZSQUOEWSZNHROA-MOPGFXCFSA-N 2 2 422.451 3.566 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000435117880 980651321 /nfs/dbraw/zinc/65/13/21/980651321.db2.gz WBEATTIRWGIIPH-HXUWFJFHSA-N 2 2 419.529 3.700 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000435117880 980651324 /nfs/dbraw/zinc/65/13/24/980651324.db2.gz WBEATTIRWGIIPH-HXUWFJFHSA-N 2 2 419.529 3.700 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435504378 980907380 /nfs/dbraw/zinc/90/73/80/980907380.db2.gz ZKVNFGXFKUPUEM-QFIPXVFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435504378 980907384 /nfs/dbraw/zinc/90/73/84/980907384.db2.gz ZKVNFGXFKUPUEM-QFIPXVFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435504378 980907386 /nfs/dbraw/zinc/90/73/86/980907386.db2.gz ZKVNFGXFKUPUEM-QFIPXVFZSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435504378 980907387 /nfs/dbraw/zinc/90/73/87/980907387.db2.gz ZKVNFGXFKUPUEM-QFIPXVFZSA-N 2 2 409.578 3.772 20 0 HHADLP Cc1cnn(-c2ccc(C)cc2NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000435522286 980917654 /nfs/dbraw/zinc/91/76/54/980917654.db2.gz LIHSSMBAFKMTQD-UHFFFAOYSA-N 2 2 424.593 3.561 20 0 HHADLP CN(c1ccccc1)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000435712463 980996490 /nfs/dbraw/zinc/99/64/90/980996490.db2.gz BQLXXXSJERSBNZ-UHFFFAOYSA-N 2 2 416.573 4.387 20 0 HHADLP C[NH+](C)CCn1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1-c1ccccc1 ZINC000435925690 981095706 /nfs/dbraw/zinc/09/57/06/981095706.db2.gz FXNCMUOFCQZAGN-UHFFFAOYSA-N 2 2 400.486 3.754 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336292 981308887 /nfs/dbraw/zinc/30/88/87/981308887.db2.gz VIWRIIKLPOEVOR-XXBNENTESA-N 2 2 414.594 3.998 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336292 981308893 /nfs/dbraw/zinc/30/88/93/981308893.db2.gz VIWRIIKLPOEVOR-XXBNENTESA-N 2 2 414.594 3.998 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379031 981336909 /nfs/dbraw/zinc/33/69/09/981336909.db2.gz VUSKNJQLZABQBW-XZOQPEGZSA-N 2 2 417.557 3.538 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379031 981336913 /nfs/dbraw/zinc/33/69/13/981336913.db2.gz VUSKNJQLZABQBW-XZOQPEGZSA-N 2 2 417.557 3.538 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235347 981645021 /nfs/dbraw/zinc/64/50/21/981645021.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235347 981645025 /nfs/dbraw/zinc/64/50/25/981645025.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235347 981645030 /nfs/dbraw/zinc/64/50/30/981645030.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235347 981645037 /nfs/dbraw/zinc/64/50/37/981645037.db2.gz WQGQQZNRUWGTQA-MBOZVWFJSA-N 2 2 417.623 3.856 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448333407 981704818 /nfs/dbraw/zinc/70/48/18/981704818.db2.gz UCYCEXCRKXWGOU-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448333407 981704828 /nfs/dbraw/zinc/70/48/28/981704828.db2.gz UCYCEXCRKXWGOU-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000437056096 981727334 /nfs/dbraw/zinc/72/73/34/981727334.db2.gz JBRWJIRZEXKTSW-YKSBVNFPSA-N 2 2 406.574 3.598 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000437056096 981727339 /nfs/dbraw/zinc/72/73/39/981727339.db2.gz JBRWJIRZEXKTSW-YKSBVNFPSA-N 2 2 406.574 3.598 20 0 HHADLP CCc1nc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)sc1C ZINC000460345763 982116897 /nfs/dbraw/zinc/11/68/97/982116897.db2.gz IAOOJUJROUUWTG-HOTGVXAUSA-N 2 2 400.592 3.699 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000460384909 982163157 /nfs/dbraw/zinc/16/31/57/982163157.db2.gz HIYNGFYZLYNVOX-LADGPHEKSA-N 2 2 422.960 3.833 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C(C)C ZINC000460483246 982275051 /nfs/dbraw/zinc/27/50/51/982275051.db2.gz NPFQKTWZOSZTDL-OAQYLSRUSA-N 2 2 415.622 3.952 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cccc(Oc3ccncc3)c2)([NH+]2CCCCC2)CC1 ZINC000460486249 982277268 /nfs/dbraw/zinc/27/72/68/982277268.db2.gz CPUMLWHMRPURNR-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460504598 982293487 /nfs/dbraw/zinc/29/34/87/982293487.db2.gz QATLEWHUTDGZLC-MOPGFXCFSA-N 2 2 423.523 3.875 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)([NH+]2CCCCC2)CC1 ZINC000461298677 982998366 /nfs/dbraw/zinc/99/83/66/982998366.db2.gz GINUGFCEOBXUCA-UHFFFAOYSA-N 2 2 406.933 3.641 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)nc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000461298999 982998946 /nfs/dbraw/zinc/99/89/46/982998946.db2.gz VDIPXPZQOFRPRZ-UHFFFAOYSA-N 2 2 406.574 3.792 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000461392060 983065163 /nfs/dbraw/zinc/06/51/63/983065163.db2.gz VOYWHCJZZWWZGZ-QGZVFWFLSA-N 2 2 404.580 3.610 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000461392060 983065171 /nfs/dbraw/zinc/06/51/71/983065171.db2.gz VOYWHCJZZWWZGZ-QGZVFWFLSA-N 2 2 404.580 3.610 20 0 HHADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439076170 983238688 /nfs/dbraw/zinc/23/86/88/983238688.db2.gz HJRPEKCACMWLKE-LJQANCHMSA-N 2 2 424.589 3.642 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3OC)cc2)CC1 ZINC000439076118 983238819 /nfs/dbraw/zinc/23/88/19/983238819.db2.gz HBOXBOLFCLVSEI-LJQANCHMSA-N 2 2 424.589 3.642 20 0 HHADLP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816871 983549370 /nfs/dbraw/zinc/54/93/70/983549370.db2.gz ZALCKHQUPPOPNO-DVECYGJZSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816871 983549371 /nfs/dbraw/zinc/54/93/71/983549371.db2.gz ZALCKHQUPPOPNO-DVECYGJZSA-N 2 2 408.590 3.824 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000440109167 983647983 /nfs/dbraw/zinc/64/79/83/983647983.db2.gz PRUJDTLCRZLJAV-QGZVFWFLSA-N 2 2 420.479 3.587 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000440109167 983647986 /nfs/dbraw/zinc/64/79/86/983647986.db2.gz PRUJDTLCRZLJAV-QGZVFWFLSA-N 2 2 420.479 3.587 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000440828092 983926326 /nfs/dbraw/zinc/92/63/26/983926326.db2.gz SUQAZIAOORKXDG-QHCPKHFHSA-N 2 2 405.546 3.802 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000441030560 984031521 /nfs/dbraw/zinc/03/15/21/984031521.db2.gz FTYMQZOOXZALRT-UHFFFAOYSA-N 2 2 400.394 3.863 20 0 HHADLP CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000441063953 984051621 /nfs/dbraw/zinc/05/16/21/984051621.db2.gz HWLADVZOONXNSL-HXUWFJFHSA-N 2 2 421.585 3.613 20 0 HHADLP CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000441063953 984051629 /nfs/dbraw/zinc/05/16/29/984051629.db2.gz HWLADVZOONXNSL-HXUWFJFHSA-N 2 2 421.585 3.613 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)c(C)c1 ZINC000441387890 984224603 /nfs/dbraw/zinc/22/46/03/984224603.db2.gz SPXNNAZSVSQNBK-NQIIRXRSSA-N 2 2 405.502 3.568 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395941 984229035 /nfs/dbraw/zinc/22/90/35/984229035.db2.gz BCIUITXCCVUBKA-CDHQVMDDSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395941 984229036 /nfs/dbraw/zinc/22/90/36/984229036.db2.gz BCIUITXCCVUBKA-CDHQVMDDSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395941 984229038 /nfs/dbraw/zinc/22/90/38/984229038.db2.gz BCIUITXCCVUBKA-CDHQVMDDSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395941 984229041 /nfs/dbraw/zinc/22/90/41/984229041.db2.gz BCIUITXCCVUBKA-CDHQVMDDSA-N 2 2 407.480 3.759 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397463 984230235 /nfs/dbraw/zinc/23/02/35/984230235.db2.gz ABRGPEJNDIBNLL-NKKJXINNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397463 984230241 /nfs/dbraw/zinc/23/02/41/984230241.db2.gz ABRGPEJNDIBNLL-NKKJXINNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397463 984230244 /nfs/dbraw/zinc/23/02/44/984230244.db2.gz ABRGPEJNDIBNLL-NKKJXINNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397463 984230251 /nfs/dbraw/zinc/23/02/51/984230251.db2.gz ABRGPEJNDIBNLL-NKKJXINNSA-N 2 2 411.590 3.698 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441405476 984234895 /nfs/dbraw/zinc/23/48/95/984234895.db2.gz BWMZSOHDFOBZLG-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441405476 984234899 /nfs/dbraw/zinc/23/48/99/984234899.db2.gz BWMZSOHDFOBZLG-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441405476 984234902 /nfs/dbraw/zinc/23/49/02/984234902.db2.gz BWMZSOHDFOBZLG-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441405476 984234907 /nfs/dbraw/zinc/23/49/07/984234907.db2.gz BWMZSOHDFOBZLG-OXJNMPFZSA-N 2 2 410.389 3.901 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc(F)c2F)([NH+]2CCCCC2)CC1 ZINC000442193106 984714950 /nfs/dbraw/zinc/71/49/50/984714950.db2.gz WWWVZYUWRWOYFM-UHFFFAOYSA-N 2 2 400.901 3.690 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000442231591 984751118 /nfs/dbraw/zinc/75/11/18/984751118.db2.gz ALJHIDDLQYXQNP-PKTZIBPZSA-N 2 2 423.536 3.982 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000462029663 985006298 /nfs/dbraw/zinc/00/62/98/985006298.db2.gz VVNHLCUZPXOSDX-IBGZPJMESA-N 2 2 401.576 3.897 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261947 985249802 /nfs/dbraw/zinc/24/98/02/985249802.db2.gz YCWIBFABLYRMSC-XLIONFOSSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261947 985249811 /nfs/dbraw/zinc/24/98/11/985249811.db2.gz YCWIBFABLYRMSC-XLIONFOSSA-N 2 2 413.591 3.771 20 0 HHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889309 985262438 /nfs/dbraw/zinc/26/24/38/985262438.db2.gz DRGQYTGDBCIYIH-MSOLQXFVSA-N 2 2 411.384 3.923 20 0 HHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889309 985262447 /nfs/dbraw/zinc/26/24/47/985262447.db2.gz DRGQYTGDBCIYIH-MSOLQXFVSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889309 985262457 /nfs/dbraw/zinc/26/24/57/985262457.db2.gz DRGQYTGDBCIYIH-MSOLQXFVSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442889309 985262468 /nfs/dbraw/zinc/26/24/68/985262468.db2.gz DRGQYTGDBCIYIH-MSOLQXFVSA-N 2 2 411.384 3.923 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)[NH+]2CCCC2)o1 ZINC000462318163 985306544 /nfs/dbraw/zinc/30/65/44/985306544.db2.gz ZRHYNFSTHLCRIF-QUCCMNQESA-N 2 2 416.591 3.875 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000462513789 985464374 /nfs/dbraw/zinc/46/43/74/985464374.db2.gz ACFONTFEPYJWFS-KNQAVFIVSA-N 2 2 412.603 3.973 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OCC(F)F)cc3)CC2)c1 ZINC000462672961 985610613 /nfs/dbraw/zinc/61/06/13/985610613.db2.gz GPEWOLAEBWBHFX-UHFFFAOYSA-N 2 2 403.517 3.941 20 0 HHADLP CC(C)c1cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc(N(C)C)[nH+]1 ZINC000462805905 985737310 /nfs/dbraw/zinc/73/73/10/985737310.db2.gz VZOKYFZGNSBXOT-UHFFFAOYSA-N 2 2 420.561 4.398 20 0 HHADLP Cc1cc(N2CC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)ccc1Br ZINC000462843568 985767701 /nfs/dbraw/zinc/76/77/01/985767701.db2.gz JTUWKGRKJHIZJS-GOSISDBHSA-N 2 2 408.384 3.715 20 0 HHADLP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1nc(-c2ccco2)cs1 ZINC000443604949 985782029 /nfs/dbraw/zinc/78/20/29/985782029.db2.gz OYEXLDSPUWHKKR-UHFFFAOYSA-N 2 2 402.564 3.930 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2)CC1 ZINC000468138168 985805693 /nfs/dbraw/zinc/80/56/93/985805693.db2.gz KVAQAELQIDIYRL-JOCHJYFZSA-N 2 2 414.981 3.515 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000462901247 985829877 /nfs/dbraw/zinc/82/98/77/985829877.db2.gz HADVWGLLBIFRPR-ZDUSSCGKSA-N 2 2 401.320 3.656 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000463067543 986024746 /nfs/dbraw/zinc/02/47/46/986024746.db2.gz CIJGPSDXDOMFTB-KRWDZBQOSA-N 2 2 404.551 3.587 20 0 HHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)COc1cccc(Cl)c1Cl ZINC000463078783 986036609 /nfs/dbraw/zinc/03/66/09/986036609.db2.gz UBVYYKRMKLSPOB-ZDUSSCGKSA-N 2 2 415.283 3.740 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000463104616 986064674 /nfs/dbraw/zinc/06/46/74/986064674.db2.gz ZKXPMXMCWMWRIT-SFHVURJKSA-N 2 2 415.628 3.816 20 0 HHADLP Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000463115968 986080293 /nfs/dbraw/zinc/08/02/93/986080293.db2.gz AFBVAJWKPYTISB-DEOSSOPVSA-N 2 2 413.993 3.769 20 0 HHADLP Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000463115968 986080308 /nfs/dbraw/zinc/08/03/08/986080308.db2.gz AFBVAJWKPYTISB-DEOSSOPVSA-N 2 2 413.993 3.769 20 0 HHADLP COc1ccc([C@H](CNC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1OC ZINC000463128927 986093805 /nfs/dbraw/zinc/09/38/05/986093805.db2.gz AKMJJPYQFZASHF-QHCPKHFHSA-N 2 2 411.590 3.603 20 0 HHADLP COc1ccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128927 986093817 /nfs/dbraw/zinc/09/38/17/986093817.db2.gz AKMJJPYQFZASHF-QHCPKHFHSA-N 2 2 411.590 3.603 20 0 HHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1 ZINC000463202850 986174898 /nfs/dbraw/zinc/17/48/98/986174898.db2.gz CJXVLRCOJLUETR-UHFFFAOYSA-N 2 2 400.485 3.889 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203865 986175828 /nfs/dbraw/zinc/17/58/28/986175828.db2.gz POPKXSPBHOMAAB-HFBCXCLPSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203865 986175832 /nfs/dbraw/zinc/17/58/32/986175832.db2.gz POPKXSPBHOMAAB-HFBCXCLPSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203865 986175836 /nfs/dbraw/zinc/17/58/36/986175836.db2.gz POPKXSPBHOMAAB-HFBCXCLPSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203865 986175840 /nfs/dbraw/zinc/17/58/40/986175840.db2.gz POPKXSPBHOMAAB-HFBCXCLPSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203867 986176056 /nfs/dbraw/zinc/17/60/56/986176056.db2.gz POPKXSPBHOMAAB-MASZLTEFSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203867 986176078 /nfs/dbraw/zinc/17/60/78/986176078.db2.gz POPKXSPBHOMAAB-MASZLTEFSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203867 986176098 /nfs/dbraw/zinc/17/60/98/986176098.db2.gz POPKXSPBHOMAAB-MASZLTEFSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203867 986176107 /nfs/dbraw/zinc/17/61/07/986176107.db2.gz POPKXSPBHOMAAB-MASZLTEFSA-N 2 2 400.607 3.929 20 0 HHADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c2C)cc1 ZINC000468518390 986221665 /nfs/dbraw/zinc/22/16/65/986221665.db2.gz VZNZRWGUEJCCGS-OAQYLSRUSA-N 2 2 407.562 3.745 20 0 HHADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)c2C)cc1 ZINC000468518390 986221678 /nfs/dbraw/zinc/22/16/78/986221678.db2.gz VZNZRWGUEJCCGS-OAQYLSRUSA-N 2 2 407.562 3.745 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444050509 986250043 /nfs/dbraw/zinc/25/00/43/986250043.db2.gz IZFYKFUMGVKUEC-VIZSFHNOSA-N 2 2 423.605 3.987 20 0 HHADLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000444136898 986326499 /nfs/dbraw/zinc/32/64/99/986326499.db2.gz YWOJZDYIAMCSCQ-SFHVURJKSA-N 2 2 405.546 3.537 20 0 HHADLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000444136898 986326506 /nfs/dbraw/zinc/32/65/06/986326506.db2.gz YWOJZDYIAMCSCQ-SFHVURJKSA-N 2 2 405.546 3.537 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444192515 986369842 /nfs/dbraw/zinc/36/98/42/986369842.db2.gz JSBCZHLIQXTPRQ-PKOBYXMFSA-N 2 2 422.411 3.604 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444192515 986369854 /nfs/dbraw/zinc/36/98/54/986369854.db2.gz JSBCZHLIQXTPRQ-PKOBYXMFSA-N 2 2 422.411 3.604 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000444589912 986776417 /nfs/dbraw/zinc/77/64/17/986776417.db2.gz ADFVYOQEDSKEID-HXUWFJFHSA-N 2 2 417.557 3.812 20 0 HHADLP COc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](c1ccccc1)C2 ZINC000469071325 986784140 /nfs/dbraw/zinc/78/41/40/986784140.db2.gz UCMYDKGAMPMJIL-VWLOTQADSA-N 2 2 421.585 3.784 20 0 HHADLP COc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](c1ccccc1)C2 ZINC000469071325 986784147 /nfs/dbraw/zinc/78/41/47/986784147.db2.gz UCMYDKGAMPMJIL-VWLOTQADSA-N 2 2 421.585 3.784 20 0 HHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000469111721 986828213 /nfs/dbraw/zinc/82/82/13/986828213.db2.gz ZULRXTSVJISOGR-OAQYLSRUSA-N 2 2 412.578 3.965 20 0 HHADLP O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690516 986867814 /nfs/dbraw/zinc/86/78/14/986867814.db2.gz TVFNBRNZSHAIIN-CRAIPNDOSA-N 2 2 417.903 3.867 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690516 986867828 /nfs/dbraw/zinc/86/78/28/986867828.db2.gz TVFNBRNZSHAIIN-CRAIPNDOSA-N 2 2 417.903 3.867 20 0 HHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000444781115 986938214 /nfs/dbraw/zinc/93/82/14/986938214.db2.gz GNOUWFRKCBMZSK-IBGZPJMESA-N 2 2 420.479 3.712 20 0 HHADLP COc1c(Cl)cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000444830872 986988627 /nfs/dbraw/zinc/98/86/27/986988627.db2.gz WLUFETUGDFQVLT-UHFFFAOYSA-N 2 2 415.365 3.682 20 0 HHADLP CCc1cc(Br)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444870677 987025140 /nfs/dbraw/zinc/02/51/40/987025140.db2.gz FXMAWZGIPMTDKR-UHFFFAOYSA-N 2 2 423.399 3.692 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000469381016 987076647 /nfs/dbraw/zinc/07/66/47/987076647.db2.gz JEYJUVWAUXCMIZ-SLYNCCJLSA-N 2 2 420.479 3.747 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000469381016 987076655 /nfs/dbraw/zinc/07/66/55/987076655.db2.gz JEYJUVWAUXCMIZ-SLYNCCJLSA-N 2 2 420.479 3.747 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000469430452 987117057 /nfs/dbraw/zinc/11/70/57/987117057.db2.gz RCWRALTXRRPFRW-XUZZJYLKSA-N 2 2 423.605 3.626 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000469430452 987117062 /nfs/dbraw/zinc/11/70/62/987117062.db2.gz RCWRALTXRRPFRW-XUZZJYLKSA-N 2 2 423.605 3.626 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000469438487 987124906 /nfs/dbraw/zinc/12/49/06/987124906.db2.gz LGJTZDPHTJOIMC-HSZRJFAPSA-N 2 2 423.605 3.815 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@H](C[N@@H+](C)Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000469438487 987124911 /nfs/dbraw/zinc/12/49/11/987124911.db2.gz LGJTZDPHTJOIMC-HSZRJFAPSA-N 2 2 423.605 3.815 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000469507956 987185046 /nfs/dbraw/zinc/18/50/46/987185046.db2.gz FFXVRCXGIXYSQS-HXUWFJFHSA-N 2 2 418.541 3.811 20 0 HHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606714 987270213 /nfs/dbraw/zinc/27/02/13/987270213.db2.gz JDEZRXWJYQFGPG-XXBNENTESA-N 2 2 419.560 3.900 20 0 HHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606714 987270217 /nfs/dbraw/zinc/27/02/17/987270217.db2.gz JDEZRXWJYQFGPG-XXBNENTESA-N 2 2 419.560 3.900 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000469763537 987416350 /nfs/dbraw/zinc/41/63/50/987416350.db2.gz IPBWYJTTZKVFFA-HOCLYGCPSA-N 2 2 409.372 3.552 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000469763537 987416353 /nfs/dbraw/zinc/41/63/53/987416353.db2.gz IPBWYJTTZKVFFA-HOCLYGCPSA-N 2 2 409.372 3.552 20 0 HHADLP CC[C@@H](Cc1ccccc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469765374 987417803 /nfs/dbraw/zinc/41/78/03/987417803.db2.gz TXTYLANQKUDNOY-QFIPXVFZSA-N 2 2 400.611 3.598 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000469766601 987419413 /nfs/dbraw/zinc/41/94/13/987419413.db2.gz CWOZVQHSPISWNI-PMACEKPBSA-N 2 2 400.588 3.597 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469767677 987420254 /nfs/dbraw/zinc/42/02/54/987420254.db2.gz ZLSAEEBJPBVYDK-OALUTQOASA-N 2 2 423.557 3.548 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000469769522 987421348 /nfs/dbraw/zinc/42/13/48/987421348.db2.gz PPOPTWCNRJJCNY-NFBKMPQASA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469866701 987503359 /nfs/dbraw/zinc/50/33/59/987503359.db2.gz RBCMNKCDJZHZFO-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469866701 987503365 /nfs/dbraw/zinc/50/33/65/987503365.db2.gz RBCMNKCDJZHZFO-ZRCGQRJVSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000469973307 987590559 /nfs/dbraw/zinc/59/05/59/987590559.db2.gz MFIVIXMLQRXSHZ-GWCFXTLKSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000469973307 987590565 /nfs/dbraw/zinc/59/05/65/987590565.db2.gz MFIVIXMLQRXSHZ-GWCFXTLKSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973307 987590571 /nfs/dbraw/zinc/59/05/71/987590571.db2.gz MFIVIXMLQRXSHZ-GWCFXTLKSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973307 987590576 /nfs/dbraw/zinc/59/05/76/987590576.db2.gz MFIVIXMLQRXSHZ-GWCFXTLKSA-N 2 2 405.178 3.708 20 0 HHADLP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000470721996 988747833 /nfs/dbraw/zinc/74/78/33/988747833.db2.gz FBBGGWJIURTQAL-GBXCKJPGSA-N 2 2 412.622 3.770 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464804712 989033517 /nfs/dbraw/zinc/03/35/17/989033517.db2.gz HPYUKSGMKLUTHZ-UHFFFAOYSA-N 2 2 424.589 3.677 20 0 HHADLP CCOc1ccc(CN(C)C(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464804712 989033526 /nfs/dbraw/zinc/03/35/26/989033526.db2.gz HPYUKSGMKLUTHZ-UHFFFAOYSA-N 2 2 424.589 3.677 20 0 HHADLP CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806736 989037794 /nfs/dbraw/zinc/03/77/94/989037794.db2.gz QFEKQBHDFNQVNY-UHFFFAOYSA-N 2 2 409.559 3.868 20 0 HHADLP CC[N@H+](CC(=O)Nc1nc2ccccc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806736 989037807 /nfs/dbraw/zinc/03/78/07/989037807.db2.gz QFEKQBHDFNQVNY-UHFFFAOYSA-N 2 2 409.559 3.868 20 0 HHADLP CC[N@@H+](CC(=O)N1CCSc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806739 989037998 /nfs/dbraw/zinc/03/79/98/989037998.db2.gz QHBYQSBZXRAGDX-UHFFFAOYSA-N 2 2 410.587 3.759 20 0 HHADLP CC[N@H+](CC(=O)N1CCSc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806739 989038009 /nfs/dbraw/zinc/03/80/09/989038009.db2.gz QHBYQSBZXRAGDX-UHFFFAOYSA-N 2 2 410.587 3.759 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844623 989093596 /nfs/dbraw/zinc/09/35/96/989093596.db2.gz BPGGWNXJLZDXRU-UNMCSNQZSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844623 989093605 /nfs/dbraw/zinc/09/36/05/989093605.db2.gz BPGGWNXJLZDXRU-UNMCSNQZSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844623 989093619 /nfs/dbraw/zinc/09/36/19/989093619.db2.gz BPGGWNXJLZDXRU-UNMCSNQZSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844623 989093633 /nfs/dbraw/zinc/09/36/33/989093633.db2.gz BPGGWNXJLZDXRU-UNMCSNQZSA-N 2 2 418.585 3.669 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845577 989096314 /nfs/dbraw/zinc/09/63/14/989096314.db2.gz GKKNDNPIOYMWPE-QHCPKHFHSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845577 989096321 /nfs/dbraw/zinc/09/63/21/989096321.db2.gz GKKNDNPIOYMWPE-QHCPKHFHSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845577 989096333 /nfs/dbraw/zinc/09/63/33/989096333.db2.gz GKKNDNPIOYMWPE-QHCPKHFHSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845577 989096343 /nfs/dbraw/zinc/09/63/43/989096343.db2.gz GKKNDNPIOYMWPE-QHCPKHFHSA-N 2 2 421.585 3.640 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182569 989313785 /nfs/dbraw/zinc/31/37/85/989313785.db2.gz SFWSMWOIVCUXAY-JKSUJKDBSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182569 989313793 /nfs/dbraw/zinc/31/37/93/989313793.db2.gz SFWSMWOIVCUXAY-JKSUJKDBSA-N 2 2 423.542 3.930 20 0 HHADLP C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000471220366 989363720 /nfs/dbraw/zinc/36/37/20/989363720.db2.gz NLMPAFAMDQQXIE-UHFFFAOYSA-N 2 2 417.557 3.962 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000471409129 989587081 /nfs/dbraw/zinc/58/70/81/989587081.db2.gz KPLZAJOXQXOMPX-WOJBJXKFSA-N 2 2 407.558 3.683 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000471409129 989587090 /nfs/dbraw/zinc/58/70/90/989587090.db2.gz KPLZAJOXQXOMPX-WOJBJXKFSA-N 2 2 407.558 3.683 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000465456052 989795730 /nfs/dbraw/zinc/79/57/30/989795730.db2.gz SDNITXONQYTAIH-JOCHJYFZSA-N 2 2 409.578 3.632 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)c2)CC1 ZINC000471666402 989870228 /nfs/dbraw/zinc/87/02/28/989870228.db2.gz WSGBSEWJBZGBCZ-HSZRJFAPSA-N 2 2 424.614 3.557 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465533990 989895468 /nfs/dbraw/zinc/89/54/68/989895468.db2.gz MZJHAQUTLGEDJG-QFIPXVFZSA-N 2 2 415.626 3.840 20 0 HHADLP CCC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000465552937 989915891 /nfs/dbraw/zinc/91/58/91/989915891.db2.gz ZPKCZCIDMXXUPN-LJQANCHMSA-N 2 2 410.965 3.790 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554330 989916868 /nfs/dbraw/zinc/91/68/68/989916868.db2.gz XIZZFQIGXBHEEK-PXNSSMCTSA-N 2 2 424.992 3.989 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465554330 989916870 /nfs/dbraw/zinc/91/68/70/989916870.db2.gz XIZZFQIGXBHEEK-PXNSSMCTSA-N 2 2 424.992 3.989 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000465579759 989950483 /nfs/dbraw/zinc/95/04/83/989950483.db2.gz RFQJKYZLWOVDHU-HSZRJFAPSA-N 2 2 421.589 3.735 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000465579759 989950490 /nfs/dbraw/zinc/95/04/90/989950490.db2.gz RFQJKYZLWOVDHU-HSZRJFAPSA-N 2 2 421.589 3.735 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465748268 990134394 /nfs/dbraw/zinc/13/43/94/990134394.db2.gz KEIHOEIKKLVRNI-QFIPXVFZSA-N 2 2 417.557 3.926 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465748268 990134397 /nfs/dbraw/zinc/13/43/97/990134397.db2.gz KEIHOEIKKLVRNI-QFIPXVFZSA-N 2 2 417.557 3.926 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002838 990172259 /nfs/dbraw/zinc/17/22/59/990172259.db2.gz OMFISOAAYUENST-DNVJHFABSA-N 2 2 413.606 3.575 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002838 990172265 /nfs/dbraw/zinc/17/22/65/990172265.db2.gz OMFISOAAYUENST-DNVJHFABSA-N 2 2 413.606 3.575 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000472008029 990176376 /nfs/dbraw/zinc/17/63/76/990176376.db2.gz GRRBYQOMCYVZOA-UNMCSNQZSA-N 2 2 416.585 3.711 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC000465879502 990997486 /nfs/dbraw/zinc/99/74/86/990997486.db2.gz QMUCCPUDLBOFQB-LZQZEXGQSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC000465879502 990997496 /nfs/dbraw/zinc/99/74/96/990997496.db2.gz QMUCCPUDLBOFQB-LZQZEXGQSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879502 990997501 /nfs/dbraw/zinc/99/75/01/990997501.db2.gz QMUCCPUDLBOFQB-LZQZEXGQSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879502 990997508 /nfs/dbraw/zinc/99/75/08/990997508.db2.gz QMUCCPUDLBOFQB-LZQZEXGQSA-N 2 2 410.965 3.568 20 0 HHADLP CC(C)N(Cc1ccccc1F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143012 991325917 /nfs/dbraw/zinc/32/59/17/991325917.db2.gz ILPIKPXASFZSKR-UHFFFAOYSA-N 2 2 404.574 3.696 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466149495 991334213 /nfs/dbraw/zinc/33/42/13/991334213.db2.gz WJJPIUJARNQCDJ-LJQANCHMSA-N 2 2 421.029 3.863 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)([NH+]2CCCCC2)CC1 ZINC000466151926 991336615 /nfs/dbraw/zinc/33/66/15/991336615.db2.gz CCFARPZWCIQPRA-UHFFFAOYSA-N 2 2 411.550 3.777 20 0 HHADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[C@@H]1c1ccccc1 ZINC000466155387 991342022 /nfs/dbraw/zinc/34/20/22/991342022.db2.gz WZOGCTHJBMIIDK-GGAORHGYSA-N 2 2 412.622 3.772 20 0 HHADLP Cc1ccc(-c2cncc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)cc1 ZINC000466256599 991500299 /nfs/dbraw/zinc/50/02/99/991500299.db2.gz QYGYORQIFKKOGW-UHFFFAOYSA-N 2 2 406.574 3.737 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466289418 991538068 /nfs/dbraw/zinc/53/80/68/991538068.db2.gz QPFKDMPHQDLVEI-QFIPXVFZSA-N 2 2 413.610 3.594 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466289418 991538076 /nfs/dbraw/zinc/53/80/76/991538076.db2.gz QPFKDMPHQDLVEI-QFIPXVFZSA-N 2 2 413.610 3.594 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000466977594 992288959 /nfs/dbraw/zinc/28/89/59/992288959.db2.gz SPZNYDIDVFDQQZ-MJGOQNOKSA-N 2 2 413.591 3.914 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@H+]1Cc1ccccc1 ZINC000466977594 992288969 /nfs/dbraw/zinc/28/89/69/992288969.db2.gz SPZNYDIDVFDQQZ-MJGOQNOKSA-N 2 2 413.591 3.914 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000467269174 992590975 /nfs/dbraw/zinc/59/09/75/992590975.db2.gz QGRHDGBPSZHVRS-IBGZPJMESA-N 2 2 421.541 3.827 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000467269174 992590986 /nfs/dbraw/zinc/59/09/86/992590986.db2.gz QGRHDGBPSZHVRS-IBGZPJMESA-N 2 2 421.541 3.827 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849984 993081898 /nfs/dbraw/zinc/08/18/98/993081898.db2.gz IDJRKBINUVOEAT-LDQXTDLNSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Br)c1 ZINC000467849984 993081905 /nfs/dbraw/zinc/08/19/05/993081905.db2.gz IDJRKBINUVOEAT-LDQXTDLNSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000472158537 993208930 /nfs/dbraw/zinc/20/89/30/993208930.db2.gz OKHSWFHNHHQHSI-QGZVFWFLSA-N 2 2 420.488 3.956 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263068 993287310 /nfs/dbraw/zinc/28/73/10/993287310.db2.gz MUKOESRSVZITEV-ZBFHGGJFSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263068 993287318 /nfs/dbraw/zinc/28/73/18/993287318.db2.gz MUKOESRSVZITEV-ZBFHGGJFSA-N 2 2 402.366 3.753 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@@H+]2C2CC2)c1 ZINC000472317105 993328167 /nfs/dbraw/zinc/32/81/67/993328167.db2.gz VWTMYWCLQONERR-IFMALSPDSA-N 2 2 405.502 3.751 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@H+]2C2CC2)c1 ZINC000472317105 993328171 /nfs/dbraw/zinc/32/81/71/993328171.db2.gz VWTMYWCLQONERR-IFMALSPDSA-N 2 2 405.502 3.751 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327656 993336841 /nfs/dbraw/zinc/33/68/41/993336841.db2.gz OLXFHZOHIWAAAD-SXSPYAJSSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327656 993336847 /nfs/dbraw/zinc/33/68/47/993336847.db2.gz OLXFHZOHIWAAAD-SXSPYAJSSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1cccc(F)c1 ZINC000472348563 993351926 /nfs/dbraw/zinc/35/19/26/993351926.db2.gz JLISEBXAHINSDC-UUOWRZLLSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1cccc(F)c1 ZINC000472348563 993351932 /nfs/dbraw/zinc/35/19/32/993351932.db2.gz JLISEBXAHINSDC-UUOWRZLLSA-N 2 2 411.521 3.680 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000472366508 993364121 /nfs/dbraw/zinc/36/41/21/993364121.db2.gz RMKVGISVRSKAPV-VISBSAOHSA-N 2 2 418.585 3.549 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000472366508 993364127 /nfs/dbraw/zinc/36/41/27/993364127.db2.gz RMKVGISVRSKAPV-VISBSAOHSA-N 2 2 418.585 3.549 20 0 HHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767478 993632684 /nfs/dbraw/zinc/63/26/84/993632684.db2.gz MECHGYBHULVMGE-VGOFRKELSA-N 2 2 401.576 3.619 20 0 HHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767478 993632688 /nfs/dbraw/zinc/63/26/88/993632688.db2.gz MECHGYBHULVMGE-VGOFRKELSA-N 2 2 401.576 3.619 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169089 994000091 /nfs/dbraw/zinc/00/00/91/994000091.db2.gz SAOJSABDBNPQOH-BULFRSBZSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169089 994000101 /nfs/dbraw/zinc/00/01/01/994000101.db2.gz SAOJSABDBNPQOH-BULFRSBZSA-N 2 2 403.615 3.572 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177489 994007755 /nfs/dbraw/zinc/00/77/55/994007755.db2.gz QKGWJIBYEKQXQV-SJLPKXTDSA-N 2 2 410.543 3.842 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177489 994007765 /nfs/dbraw/zinc/00/77/65/994007765.db2.gz QKGWJIBYEKQXQV-SJLPKXTDSA-N 2 2 410.543 3.842 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481202399 994036308 /nfs/dbraw/zinc/03/63/08/994036308.db2.gz SJSMEIAJILQDNK-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481202399 994036316 /nfs/dbraw/zinc/03/63/16/994036316.db2.gz SJSMEIAJILQDNK-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP O=C(C[NH2+][C@H](CC1CCC1)c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000481269523 994087769 /nfs/dbraw/zinc/08/77/69/994087769.db2.gz NZWFKAOLBUOTGY-RUZDIDTESA-N 2 2 421.585 3.656 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308324 994125206 /nfs/dbraw/zinc/12/52/06/994125206.db2.gz PRZRHSMHHBYKKU-MHECFPHRSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308324 994125211 /nfs/dbraw/zinc/12/52/11/994125211.db2.gz PRZRHSMHHBYKKU-MHECFPHRSA-N 2 2 414.544 3.824 20 0 HHADLP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC(F)F ZINC000481328826 994148136 /nfs/dbraw/zinc/14/81/36/994148136.db2.gz VSAQJZNRGPVDNN-INIZCTEOSA-N 2 2 406.473 3.980 20 0 HHADLP COc1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccc1SC ZINC000481411159 994245236 /nfs/dbraw/zinc/24/52/36/994245236.db2.gz DGGYJBHELVXGER-SFHVURJKSA-N 2 2 416.587 3.979 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000481462043 994296783 /nfs/dbraw/zinc/29/67/83/994296783.db2.gz HLHRLZLLYMAVPV-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000481462043 994296789 /nfs/dbraw/zinc/29/67/89/994296789.db2.gz HLHRLZLLYMAVPV-QGZVFWFLSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481565030 994400439 /nfs/dbraw/zinc/40/04/39/994400439.db2.gz PLNDTKMUDZZQFV-IBGZPJMESA-N 2 2 424.570 3.898 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000481823876 994674483 /nfs/dbraw/zinc/67/44/83/994674483.db2.gz LHEIASOHFIPVEL-NRFANRHFSA-N 2 2 421.585 3.947 20 0 HHADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC(F)F ZINC000482016052 994925102 /nfs/dbraw/zinc/92/51/02/994925102.db2.gz NCBKBRSQJVDUIQ-APWZRJJASA-N 2 2 405.489 3.734 20 0 HHADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC(F)F ZINC000482016052 994925117 /nfs/dbraw/zinc/92/51/17/994925117.db2.gz NCBKBRSQJVDUIQ-APWZRJJASA-N 2 2 405.489 3.734 20 0 HHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC(F)F ZINC000482016054 994925627 /nfs/dbraw/zinc/92/56/27/994925627.db2.gz NCBKBRSQJVDUIQ-QFBILLFUSA-N 2 2 405.489 3.734 20 0 HHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC(F)F ZINC000482016054 994925639 /nfs/dbraw/zinc/92/56/39/994925639.db2.gz NCBKBRSQJVDUIQ-QFBILLFUSA-N 2 2 405.489 3.734 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023454 994937144 /nfs/dbraw/zinc/93/71/44/994937144.db2.gz ACNJIZIBXAXEEU-IAGOWNOFSA-N 2 2 414.377 3.739 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023454 994937155 /nfs/dbraw/zinc/93/71/55/994937155.db2.gz ACNJIZIBXAXEEU-IAGOWNOFSA-N 2 2 414.377 3.739 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024795 994939390 /nfs/dbraw/zinc/93/93/90/994939390.db2.gz HCMWIIIXDPJPFO-XJKSGUPXSA-N 2 2 403.901 3.535 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000482024795 994939398 /nfs/dbraw/zinc/93/93/98/994939398.db2.gz HCMWIIIXDPJPFO-XJKSGUPXSA-N 2 2 403.901 3.535 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482079111 995016751 /nfs/dbraw/zinc/01/67/51/995016751.db2.gz GVOFBWAELSVJDY-ZEQRLZLVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482079111 995016762 /nfs/dbraw/zinc/01/67/62/995016762.db2.gz GVOFBWAELSVJDY-ZEQRLZLVSA-N 2 2 416.525 3.648 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000474052121 995041745 /nfs/dbraw/zinc/04/17/45/995041745.db2.gz AJRKFFPGCKTGDC-PMACEKPBSA-N 2 2 417.557 3.828 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130145 995079301 /nfs/dbraw/zinc/07/93/01/995079301.db2.gz UGVLESGZLDWXNT-JKSUJKDBSA-N 2 2 410.580 3.854 20 0 HHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130145 995079309 /nfs/dbraw/zinc/07/93/09/995079309.db2.gz UGVLESGZLDWXNT-JKSUJKDBSA-N 2 2 410.580 3.854 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000482143224 995093335 /nfs/dbraw/zinc/09/33/35/995093335.db2.gz OKAWBWRBIZWDKJ-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000482143224 995093344 /nfs/dbraw/zinc/09/33/44/995093344.db2.gz OKAWBWRBIZWDKJ-RHSMWYFYSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000482156059 995110437 /nfs/dbraw/zinc/11/04/37/995110437.db2.gz HZOXZEAHAXLFHR-KBXCAEBGSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000482156059 995110444 /nfs/dbraw/zinc/11/04/44/995110444.db2.gz HZOXZEAHAXLFHR-KBXCAEBGSA-N 2 2 402.366 3.659 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)o2)cc1 ZINC000482222527 995207035 /nfs/dbraw/zinc/20/70/35/995207035.db2.gz MYVHDZXXASCADI-FGZHOGPDSA-N 2 2 412.530 3.591 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000474336476 995316348 /nfs/dbraw/zinc/31/63/48/995316348.db2.gz HJSHZHXOCUTNBP-XEVCZEQESA-N 2 2 422.976 3.760 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000474336476 995316356 /nfs/dbraw/zinc/31/63/56/995316356.db2.gz HJSHZHXOCUTNBP-XEVCZEQESA-N 2 2 422.976 3.760 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000474417697 995382410 /nfs/dbraw/zinc/38/24/10/995382410.db2.gz RAXKGPDPDQWEGL-UHFFFAOYSA-N 2 2 412.484 3.925 20 0 HHADLP C[C@H](CCc1ccc(I)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000474474582 995434904 /nfs/dbraw/zinc/43/49/04/995434904.db2.gz WXXBIRDKDFXYNP-OAHLLOKOSA-N 2 2 423.342 3.977 20 0 HHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000474735317 995669215 /nfs/dbraw/zinc/66/92/15/995669215.db2.gz KOYWRZZLQFTVOP-DHIUTWEWSA-N 2 2 423.605 3.702 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000482735143 995714981 /nfs/dbraw/zinc/71/49/81/995714981.db2.gz KOPCAUWSTYDOLA-JOCHJYFZSA-N 2 2 411.594 3.563 20 0 HHADLP CC(C)Cc1ccc([C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000482735145 995715106 /nfs/dbraw/zinc/71/51/06/995715106.db2.gz KOPCAUWSTYDOLA-QFIPXVFZSA-N 2 2 411.594 3.563 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000474805447 995717514 /nfs/dbraw/zinc/71/75/14/995717514.db2.gz UDELYCDOGBTHIH-QFIPXVFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000474805447 995717521 /nfs/dbraw/zinc/71/75/21/995717521.db2.gz UDELYCDOGBTHIH-QFIPXVFZSA-N 2 2 401.501 3.697 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024261 995877882 /nfs/dbraw/zinc/87/78/82/995877882.db2.gz RERHSHVHPDCRHB-APWZRJJASA-N 2 2 414.377 3.531 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024261 995877887 /nfs/dbraw/zinc/87/78/87/995877887.db2.gz RERHSHVHPDCRHB-APWZRJJASA-N 2 2 414.377 3.531 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000475035082 995884313 /nfs/dbraw/zinc/88/43/13/995884313.db2.gz UJBLRFTXGXBVJZ-UHFFFAOYSA-N 2 2 401.599 3.555 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000475035082 995884319 /nfs/dbraw/zinc/88/43/19/995884319.db2.gz UJBLRFTXGXBVJZ-UHFFFAOYSA-N 2 2 401.599 3.555 20 0 HHADLP C[C@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056155 995894663 /nfs/dbraw/zinc/89/46/63/995894663.db2.gz DFXQLOLZKYONKH-NOZRDPDXSA-N 2 2 422.617 3.911 20 0 HHADLP C[C@H](CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056155 995894667 /nfs/dbraw/zinc/89/46/67/995894667.db2.gz DFXQLOLZKYONKH-NOZRDPDXSA-N 2 2 422.617 3.911 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000475225399 996008738 /nfs/dbraw/zinc/00/87/38/996008738.db2.gz VGQCNKCCGODCNK-YZGWKJHDSA-N 2 2 404.601 3.542 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000475225399 996008743 /nfs/dbraw/zinc/00/87/43/996008743.db2.gz VGQCNKCCGODCNK-YZGWKJHDSA-N 2 2 404.601 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161198 996010578 /nfs/dbraw/zinc/01/05/78/996010578.db2.gz SPCAPVJHNRWZKW-YZGWKJHDSA-N 2 2 416.516 3.762 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161198 996010584 /nfs/dbraw/zinc/01/05/84/996010584.db2.gz SPCAPVJHNRWZKW-YZGWKJHDSA-N 2 2 416.516 3.762 20 0 HHADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000475273194 996038557 /nfs/dbraw/zinc/03/85/57/996038557.db2.gz DNQCDWIJDAVQLF-INIZCTEOSA-N 2 2 405.336 3.775 20 0 HHADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000475273194 996038562 /nfs/dbraw/zinc/03/85/62/996038562.db2.gz DNQCDWIJDAVQLF-INIZCTEOSA-N 2 2 405.336 3.775 20 0 HHADLP C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000483267039 996071160 /nfs/dbraw/zinc/07/11/60/996071160.db2.gz WVWLBBXUCKMAII-REWPJTCUSA-N 2 2 408.590 3.544 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000475325417 996071770 /nfs/dbraw/zinc/07/17/70/996071770.db2.gz UTXRLEVRTMDDRA-UHFFFAOYSA-N 2 2 424.495 3.672 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000475325417 996071775 /nfs/dbraw/zinc/07/17/75/996071775.db2.gz UTXRLEVRTMDDRA-UHFFFAOYSA-N 2 2 424.495 3.672 20 0 HHADLP COc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(OC)c1OC ZINC000475333231 996074826 /nfs/dbraw/zinc/07/48/26/996074826.db2.gz MQABDMNNVVHMAN-UHFFFAOYSA-N 2 2 402.457 3.607 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475383450 996103296 /nfs/dbraw/zinc/10/32/96/996103296.db2.gz ZCVZENXTGFLKCL-DEOSSOPVSA-N 2 2 403.530 3.532 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475383450 996103301 /nfs/dbraw/zinc/10/33/01/996103301.db2.gz ZCVZENXTGFLKCL-DEOSSOPVSA-N 2 2 403.530 3.532 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 ZINC000483438435 996179207 /nfs/dbraw/zinc/17/92/07/996179207.db2.gz NCBXTIAJJRODBK-ICSRJNTNSA-N 2 2 416.591 3.594 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000475611478 996247036 /nfs/dbraw/zinc/24/70/36/996247036.db2.gz YYFROICDTIRNIR-AWEZNQCLSA-N 2 2 400.473 3.869 20 0 HHADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475733871 996333403 /nfs/dbraw/zinc/33/34/03/996333403.db2.gz VNIGQPMNYMOLLD-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475733871 996333409 /nfs/dbraw/zinc/33/34/09/996333409.db2.gz VNIGQPMNYMOLLD-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475733871 996333420 /nfs/dbraw/zinc/33/34/20/996333420.db2.gz VNIGQPMNYMOLLD-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475733871 996333429 /nfs/dbraw/zinc/33/34/29/996333429.db2.gz VNIGQPMNYMOLLD-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739861 996338364 /nfs/dbraw/zinc/33/83/64/996338364.db2.gz XYQJWWSOJSWDKX-AHWVRZQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739861 996338373 /nfs/dbraw/zinc/33/83/73/996338373.db2.gz XYQJWWSOJSWDKX-AHWVRZQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475739861 996338379 /nfs/dbraw/zinc/33/83/79/996338379.db2.gz XYQJWWSOJSWDKX-AHWVRZQESA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475739861 996338386 /nfs/dbraw/zinc/33/83/86/996338386.db2.gz XYQJWWSOJSWDKX-AHWVRZQESA-N 2 2 422.569 3.617 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000483738181 996358657 /nfs/dbraw/zinc/35/86/57/996358657.db2.gz AOKUQUYQLAAFKG-JOCHJYFZSA-N 2 2 402.558 3.621 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475819741 996391875 /nfs/dbraw/zinc/39/18/75/996391875.db2.gz SXKQQQFURQUMMI-DNQXCXABSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475819741 996391881 /nfs/dbraw/zinc/39/18/81/996391881.db2.gz SXKQQQFURQUMMI-DNQXCXABSA-N 2 2 408.590 3.573 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802364 996397545 /nfs/dbraw/zinc/39/75/45/996397545.db2.gz CSTQXVUMVPQRDE-AHRSYUTCSA-N 2 2 424.992 3.958 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802364 996397551 /nfs/dbraw/zinc/39/75/51/996397551.db2.gz CSTQXVUMVPQRDE-AHRSYUTCSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802364 996397555 /nfs/dbraw/zinc/39/75/55/996397555.db2.gz CSTQXVUMVPQRDE-AHRSYUTCSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C ZINC000483802364 996397560 /nfs/dbraw/zinc/39/75/60/996397560.db2.gz CSTQXVUMVPQRDE-AHRSYUTCSA-N 2 2 424.992 3.958 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863217 996434479 /nfs/dbraw/zinc/43/44/79/996434479.db2.gz BNGLLBRQYDMHIU-VWPQPMDRSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863217 996434481 /nfs/dbraw/zinc/43/44/81/996434481.db2.gz BNGLLBRQYDMHIU-VWPQPMDRSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863217 996434485 /nfs/dbraw/zinc/43/44/85/996434485.db2.gz BNGLLBRQYDMHIU-VWPQPMDRSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863217 996434489 /nfs/dbraw/zinc/43/44/89/996434489.db2.gz BNGLLBRQYDMHIU-VWPQPMDRSA-N 2 2 416.610 3.928 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(N4CCCCCC4)c3)CC2)CC1 ZINC000483907369 996462328 /nfs/dbraw/zinc/46/23/28/996462328.db2.gz CNAHLAALFCQHSR-UHFFFAOYSA-N 2 2 413.610 3.747 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000484065984 996551010 /nfs/dbraw/zinc/55/10/10/996551010.db2.gz GCWZSEQBBCGBCG-SFHVURJKSA-N 2 2 404.514 3.689 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCOCC1)C2 ZINC000476053890 996569322 /nfs/dbraw/zinc/56/93/22/996569322.db2.gz VRBQWOOUKSUCDU-QUCCMNQESA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCOCC1)CC2 ZINC000476053890 996569327 /nfs/dbraw/zinc/56/93/27/996569327.db2.gz VRBQWOOUKSUCDU-QUCCMNQESA-N 2 2 424.589 3.654 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000484134481 996589924 /nfs/dbraw/zinc/58/99/24/996589924.db2.gz QMRLCVKTKKCBRT-BWAGFHJFSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000484134481 996589928 /nfs/dbraw/zinc/58/99/28/996589928.db2.gz QMRLCVKTKKCBRT-BWAGFHJFSA-N 2 2 415.375 3.909 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154648 996603942 /nfs/dbraw/zinc/60/39/42/996603942.db2.gz CRBPKSYLGANJTF-ZHRRBRCNSA-N 2 2 406.473 3.584 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154648 996603945 /nfs/dbraw/zinc/60/39/45/996603945.db2.gz CRBPKSYLGANJTF-ZHRRBRCNSA-N 2 2 406.473 3.584 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170655 996614297 /nfs/dbraw/zinc/61/42/97/996614297.db2.gz TVYMQMUXOQVZJE-KOSHJBKYSA-N 2 2 408.521 3.607 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170655 996614302 /nfs/dbraw/zinc/61/43/02/996614302.db2.gz TVYMQMUXOQVZJE-KOSHJBKYSA-N 2 2 408.521 3.607 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000476139286 996628474 /nfs/dbraw/zinc/62/84/74/996628474.db2.gz HVKXDOMXFFTQCK-QKKBWIMNSA-N 2 2 418.513 3.884 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000476139286 996628481 /nfs/dbraw/zinc/62/84/81/996628481.db2.gz HVKXDOMXFFTQCK-QKKBWIMNSA-N 2 2 418.513 3.884 20 0 HHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CCC2 ZINC000476154883 996640322 /nfs/dbraw/zinc/64/03/22/996640322.db2.gz MDERBGOMTRQXGT-HSZRJFAPSA-N 2 2 400.611 3.855 20 0 HHADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CCC2 ZINC000476154883 996640325 /nfs/dbraw/zinc/64/03/25/996640325.db2.gz MDERBGOMTRQXGT-HSZRJFAPSA-N 2 2 400.611 3.855 20 0 HHADLP Cc1c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)nnn1-c1cccc(Br)c1 ZINC000484289635 996681762 /nfs/dbraw/zinc/68/17/62/996681762.db2.gz GJZFMNDBEFXWSV-AWEZNQCLSA-N 2 2 415.339 3.886 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476217050 996683235 /nfs/dbraw/zinc/68/32/35/996683235.db2.gz KQSLSTXMXYERLQ-SFHVURJKSA-N 2 2 412.484 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476217050 996683239 /nfs/dbraw/zinc/68/32/39/996683239.db2.gz KQSLSTXMXYERLQ-SFHVURJKSA-N 2 2 412.484 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000476237671 996697053 /nfs/dbraw/zinc/69/70/53/996697053.db2.gz OSIHDLJOFOHSHY-OAHLLOKOSA-N 2 2 400.473 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000476237671 996697055 /nfs/dbraw/zinc/69/70/55/996697055.db2.gz OSIHDLJOFOHSHY-OAHLLOKOSA-N 2 2 400.473 3.650 20 0 HHADLP COCCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000484480812 996800440 /nfs/dbraw/zinc/80/04/40/996800440.db2.gz AALJPRDJEOJGGY-ZWKOTPCHSA-N 2 2 401.414 3.944 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000476651019 997184312 /nfs/dbraw/zinc/18/43/12/997184312.db2.gz CDQORCODZDOLBP-IFMALSPDSA-N 2 2 410.562 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000476651019 997184322 /nfs/dbraw/zinc/18/43/22/997184322.db2.gz CDQORCODZDOLBP-IFMALSPDSA-N 2 2 410.562 3.723 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972412 997341854 /nfs/dbraw/zinc/34/18/54/997341854.db2.gz RIKZGQDBRQAJHQ-BULFRSBZSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972412 997341856 /nfs/dbraw/zinc/34/18/56/997341856.db2.gz RIKZGQDBRQAJHQ-BULFRSBZSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972661 997341863 /nfs/dbraw/zinc/34/18/63/997341863.db2.gz RIKZGQDBRQAJHQ-HSQYWUDLSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484972661 997341865 /nfs/dbraw/zinc/34/18/65/997341865.db2.gz RIKZGQDBRQAJHQ-HSQYWUDLSA-N 2 2 418.630 3.963 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295592 997699621 /nfs/dbraw/zinc/69/96/21/997699621.db2.gz QSQVHBITTYLMHZ-REWPJTCUSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)C1 ZINC000485295592 997699627 /nfs/dbraw/zinc/69/96/27/997699627.db2.gz QSQVHBITTYLMHZ-REWPJTCUSA-N 2 2 423.605 3.816 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC([NH+]3CCC(C(F)(F)F)CC3)C1)C2 ZINC000477149583 997808276 /nfs/dbraw/zinc/80/82/76/997808276.db2.gz FXSVALXOMKOXBM-JEYLPNPQSA-N 2 2 412.500 3.560 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000477149583 997808287 /nfs/dbraw/zinc/80/82/87/997808287.db2.gz FXSVALXOMKOXBM-JEYLPNPQSA-N 2 2 412.500 3.560 20 0 HHADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396600 997825017 /nfs/dbraw/zinc/82/50/17/997825017.db2.gz MPTWIHFPPBQUFG-VQIMIIECSA-N 2 2 410.965 3.599 20 0 HHADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396600 997825027 /nfs/dbraw/zinc/82/50/27/997825027.db2.gz MPTWIHFPPBQUFG-VQIMIIECSA-N 2 2 410.965 3.599 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000485501921 997957554 /nfs/dbraw/zinc/95/75/54/997957554.db2.gz GQAKOFPUANWRKT-HSZRJFAPSA-N 2 2 423.605 3.960 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3ccc4ncsc4c3)CC2)c1 ZINC000485797224 998267103 /nfs/dbraw/zinc/26/71/03/998267103.db2.gz LGLNYVSFUOFNNJ-SFHVURJKSA-N 2 2 408.571 3.600 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000477717215 998440782 /nfs/dbraw/zinc/44/07/82/998440782.db2.gz MPONESKHQOTVAR-UHFFFAOYSA-N 2 2 404.514 3.637 20 0 HHADLP O=C(C1CCC1)N1CC[NH+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000477800408 998553022 /nfs/dbraw/zinc/55/30/22/998553022.db2.gz UJDSVTIANJUASC-UHFFFAOYSA-N 2 2 406.452 3.610 20 0 HHADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1c2ccccc2-c2ccccc21 ZINC000477920382 998658418 /nfs/dbraw/zinc/65/84/18/998658418.db2.gz GFFOJUFDAQJSMX-UHFFFAOYSA-N 2 2 418.585 3.956 20 0 HHADLP C[NH+]1CCC(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000486310014 998706295 /nfs/dbraw/zinc/70/62/95/998706295.db2.gz OYIMVRSBTXRLPI-UHFFFAOYSA-N 2 2 406.933 3.826 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000486693030 998894980 /nfs/dbraw/zinc/89/49/80/998894980.db2.gz CCPGCRJRGHVUNI-MJGOQNOKSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000486693030 998894985 /nfs/dbraw/zinc/89/49/85/998894985.db2.gz CCPGCRJRGHVUNI-MJGOQNOKSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000486757643 998926293 /nfs/dbraw/zinc/92/62/93/998926293.db2.gz BFBZYENVZQMOIT-GVAUOCQISA-N 2 2 424.633 3.913 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000478749343 999121179 /nfs/dbraw/zinc/12/11/79/999121179.db2.gz LAISHFOTSLPRFY-CVDCTZTESA-N 2 2 405.546 3.730 20 0 HHADLP COc1cc(Cl)c(Cl)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000487543665 999210957 /nfs/dbraw/zinc/21/09/57/999210957.db2.gz UKSFMUUTPASXND-UHFFFAOYSA-N 2 2 414.377 3.682 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000487951863 999326505 /nfs/dbraw/zinc/32/65/05/999326505.db2.gz VDIFNXOTJWNQCE-QGZVFWFLSA-N 2 2 415.969 3.561 20 0 HHADLP COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000488423877 999482838 /nfs/dbraw/zinc/48/28/38/999482838.db2.gz YZUMZXADJPAYFB-UHFFFAOYSA-N 2 2 414.575 3.565 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCc4sc(Cl)cc43)CC2)CC1 ZINC000488516935 999514637 /nfs/dbraw/zinc/51/46/37/999514637.db2.gz QUNDWHPRDKZJPU-KRWDZBQOSA-N 2 2 411.015 3.637 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479810314 999606064 /nfs/dbraw/zinc/60/60/64/999606064.db2.gz LFWVCVWUUKBULH-RTWAWAEBSA-N 2 2 408.537 3.665 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479810314 999606072 /nfs/dbraw/zinc/60/60/72/999606072.db2.gz LFWVCVWUUKBULH-RTWAWAEBSA-N 2 2 408.537 3.665 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488789018 999608203 /nfs/dbraw/zinc/60/82/03/999608203.db2.gz UFQGJVXEYUAEIQ-FGZHOGPDSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488789018 999608206 /nfs/dbraw/zinc/60/82/06/999608206.db2.gz UFQGJVXEYUAEIQ-FGZHOGPDSA-N 2 2 406.014 3.987 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830668 999615932 /nfs/dbraw/zinc/61/59/32/999615932.db2.gz LAMOVOSVCIRWDG-CZAAIQMYSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830668 999615933 /nfs/dbraw/zinc/61/59/33/999615933.db2.gz LAMOVOSVCIRWDG-CZAAIQMYSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830668 999615934 /nfs/dbraw/zinc/61/59/34/999615934.db2.gz LAMOVOSVCIRWDG-CZAAIQMYSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830668 999615935 /nfs/dbraw/zinc/61/59/35/999615935.db2.gz LAMOVOSVCIRWDG-CZAAIQMYSA-N 2 2 408.537 3.521 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCCn3cc[nH+]c3)s2)cc1OC ZINC000479854772 999626056 /nfs/dbraw/zinc/62/60/56/999626056.db2.gz WSAPBLXRKVTWBS-OAHLLOKOSA-N 2 2 400.548 3.997 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489132150 999708515 /nfs/dbraw/zinc/70/85/15/999708515.db2.gz ULBKJWJJSFYOIC-DHIUTWEWSA-N 2 2 411.590 3.615 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489132150 999708516 /nfs/dbraw/zinc/70/85/16/999708516.db2.gz ULBKJWJJSFYOIC-DHIUTWEWSA-N 2 2 411.590 3.615 20 0 HHADLP COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2nccn2C)cc1 ZINC000480342771 999775701 /nfs/dbraw/zinc/77/57/01/999775701.db2.gz IPQXXNXLXGOBNA-MBSDFSHPSA-N 2 2 408.546 3.809 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495064 999778032 /nfs/dbraw/zinc/77/80/32/999778032.db2.gz WBVDHFMPRASUTD-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495064 999778033 /nfs/dbraw/zinc/77/80/33/999778033.db2.gz WBVDHFMPRASUTD-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000480356942 999779125 /nfs/dbraw/zinc/77/91/25/999779125.db2.gz VNGTUVQZTSGMJL-VAMGGRTRSA-N 2 2 402.583 3.682 20 0 HHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCCO2 ZINC000489502873 999779653 /nfs/dbraw/zinc/77/96/53/999779653.db2.gz SQZHJRWXIAHTIF-QFIPXVFZSA-N 2 2 422.573 3.747 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OC(C)C ZINC000489549269 999790070 /nfs/dbraw/zinc/79/00/70/999790070.db2.gz HPABBUCPJMBJGK-UHFFFAOYSA-N 2 2 402.583 3.854 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(C)c1 ZINC000489729813 999826414 /nfs/dbraw/zinc/82/64/14/999826414.db2.gz RDYNNFZFPIODRL-AUSIDOKSSA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C)c1 ZINC000489729813 999826415 /nfs/dbraw/zinc/82/64/15/999826415.db2.gz RDYNNFZFPIODRL-AUSIDOKSSA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(C)c1 ZINC000489729814 999826424 /nfs/dbraw/zinc/82/64/24/999826424.db2.gz RDYNNFZFPIODRL-CVDCTZTESA-N 2 2 409.578 3.757 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C)c1 ZINC000489729814 999826427 /nfs/dbraw/zinc/82/64/27/999826427.db2.gz RDYNNFZFPIODRL-CVDCTZTESA-N 2 2 409.578 3.757 20 0 HHADLP Brc1cccc(N2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000480601340 999837983 /nfs/dbraw/zinc/83/79/83/999837983.db2.gz PBHXNYOSTVGYEW-GOSISDBHSA-N 2 2 401.352 3.681 20 0 HHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480639254 999848272 /nfs/dbraw/zinc/84/82/72/999848272.db2.gz AHCIDSKYIOIDOH-SQJMNOBHSA-N 2 2 404.558 3.526 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844830 999848539 /nfs/dbraw/zinc/84/85/39/999848539.db2.gz VOGVCUQSKPACJB-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844830 999848543 /nfs/dbraw/zinc/84/85/43/999848543.db2.gz VOGVCUQSKPACJB-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[NH+]1CCC(n2ccc(NC(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)n2)CC1 ZINC000489989056 999873655 /nfs/dbraw/zinc/87/36/55/999873655.db2.gz GXNVZAIZFNFNCX-UHFFFAOYSA-N 2 2 417.557 3.791 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000490126032 999896618 /nfs/dbraw/zinc/89/66/18/999896618.db2.gz LVCAUWZPVVCOMK-UHFFFAOYSA-N 2 2 415.513 3.503 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000490126032 999896619 /nfs/dbraw/zinc/89/66/19/999896619.db2.gz LVCAUWZPVVCOMK-UHFFFAOYSA-N 2 2 415.513 3.503 20 0 HHADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000490171858 999904245 /nfs/dbraw/zinc/90/42/45/999904245.db2.gz JCXMSWDXRDWPQR-FQEVSTJZSA-N 2 2 403.935 3.628 20 0 HHADLP CN(C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000490805086 1000008843 /nfs/dbraw/zinc/00/88/43/1000008843.db2.gz WMYVMFIJOJDYLY-FKVLARQCSA-N 2 2 422.658 3.559 20 0 HHADLP CN(C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490805086 1000008844 /nfs/dbraw/zinc/00/88/44/1000008844.db2.gz WMYVMFIJOJDYLY-FKVLARQCSA-N 2 2 422.658 3.559 20 0 HHADLP COc1ccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491018201 1000034311 /nfs/dbraw/zinc/03/43/11/1000034311.db2.gz HNKDROWVHCFQAK-SBUREZEXSA-N 2 2 417.981 3.672 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000491022344 1000034903 /nfs/dbraw/zinc/03/49/03/1000034903.db2.gz PTLRIFAXOOWILS-DYESRHJHSA-N 2 2 402.380 3.764 20 0 HHADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000491032865 1000036972 /nfs/dbraw/zinc/03/69/72/1000036972.db2.gz PIJJCHRTYHOQGK-UWJYYQICSA-N 2 2 402.380 3.764 20 0 HHADLP O=C([C@H]1CCn2c[nH+]cc2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000491878018 1000098909 /nfs/dbraw/zinc/09/89/09/1000098909.db2.gz AEZLCSOFYAMWKC-KRWDZBQOSA-N 2 2 421.372 3.877 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492017277 1000105060 /nfs/dbraw/zinc/10/50/60/1000105060.db2.gz AJKBEZHWBVZTEW-OALUTQOASA-N 2 2 418.545 3.605 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+](C)C)cc1 ZINC000492021597 1000105302 /nfs/dbraw/zinc/10/53/02/1000105302.db2.gz MLKWIXGQVCBSSO-NRFANRHFSA-N 2 2 422.533 3.538 20 0 HHADLP C[C@@]1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000492085641 1000108934 /nfs/dbraw/zinc/10/89/34/1000108934.db2.gz YVTMYLJOGYVPJD-QHCPKHFHSA-N 2 2 404.518 3.503 20 0 HHADLP C[C@@]1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000492085641 1000108935 /nfs/dbraw/zinc/10/89/35/1000108935.db2.gz YVTMYLJOGYVPJD-QHCPKHFHSA-N 2 2 404.518 3.503 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492227504 1000116255 /nfs/dbraw/zinc/11/62/55/1000116255.db2.gz ZJWHEVHEKFQKPR-UHFFFAOYSA-N 2 2 418.545 3.702 20 0 HHADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492227504 1000116259 /nfs/dbraw/zinc/11/62/59/1000116259.db2.gz ZJWHEVHEKFQKPR-UHFFFAOYSA-N 2 2 418.545 3.702 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038435 1000155189 /nfs/dbraw/zinc/15/51/89/1000155189.db2.gz VOILXECLKQOYQU-MHZLTWQESA-N 2 2 417.597 3.909 20 0 HHADLP Cc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493250052 1000165325 /nfs/dbraw/zinc/16/53/25/1000165325.db2.gz RPGWMHBKJFYYQI-QHCPKHFHSA-N 2 2 409.555 3.975 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)c2)cc[nH+]1 ZINC000494049627 1000283552 /nfs/dbraw/zinc/28/35/52/1000283552.db2.gz OBZXTSIDTIDYJH-WZONZLPQSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)c2)cc[nH+]1 ZINC000494049627 1000283556 /nfs/dbraw/zinc/28/35/56/1000283556.db2.gz OBZXTSIDTIDYJH-WZONZLPQSA-N 2 2 415.541 3.790 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335780 /nfs/dbraw/zinc/33/57/80/1000335780.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335783 /nfs/dbraw/zinc/33/57/83/1000335783.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335788 /nfs/dbraw/zinc/33/57/88/1000335788.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162992 1000335792 /nfs/dbraw/zinc/33/57/92/1000335792.db2.gz HYONRNASEGKZPF-JTHBVZDNSA-N 2 2 401.501 3.737 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000504994621 1000494675 /nfs/dbraw/zinc/49/46/75/1000494675.db2.gz QZVUIAXFUNTPDU-BEFAXECRSA-N 2 2 421.010 3.750 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000504994621 1000494677 /nfs/dbraw/zinc/49/46/77/1000494677.db2.gz QZVUIAXFUNTPDU-BEFAXECRSA-N 2 2 421.010 3.750 20 0 HHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151088 1000580167 /nfs/dbraw/zinc/58/01/67/1000580167.db2.gz NJFULKZOEVMSJO-GMAHTHKFSA-N 2 2 406.574 3.980 20 0 HHADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151088 1000580173 /nfs/dbraw/zinc/58/01/73/1000580173.db2.gz NJFULKZOEVMSJO-GMAHTHKFSA-N 2 2 406.574 3.980 20 0 HHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911258 1000725698 /nfs/dbraw/zinc/72/56/98/1000725698.db2.gz QNFCVEJUODGUFW-CYBMUJFWSA-N 2 2 400.832 3.967 20 0 HHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911258 1000725706 /nfs/dbraw/zinc/72/57/06/1000725706.db2.gz QNFCVEJUODGUFW-CYBMUJFWSA-N 2 2 400.832 3.967 20 0 HHADLP c1nnc([C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C2CCCCC2)[nH]1 ZINC000494919975 1000730196 /nfs/dbraw/zinc/73/01/96/1000730196.db2.gz FXLJBSXHJKFOAH-HSZRJFAPSA-N 2 2 410.610 3.614 20 0 HHADLP c1nnc([C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)[nH]1 ZINC000494919975 1000730201 /nfs/dbraw/zinc/73/02/01/1000730201.db2.gz FXLJBSXHJKFOAH-HSZRJFAPSA-N 2 2 410.610 3.614 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505470004 1000796732 /nfs/dbraw/zinc/79/67/32/1000796732.db2.gz WNYKLNNVRUTFLA-LJQANCHMSA-N 2 2 419.367 3.640 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505638859 1000948667 /nfs/dbraw/zinc/94/86/67/1000948667.db2.gz PHYZXFVSCMPQDO-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505638859 1000948676 /nfs/dbraw/zinc/94/86/76/1000948676.db2.gz PHYZXFVSCMPQDO-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000495607767 1001052022 /nfs/dbraw/zinc/05/20/22/1001052022.db2.gz GVYYNFLWGDAUSO-MRXNPFEDSA-N 2 2 421.463 3.824 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850850 1001060209 /nfs/dbraw/zinc/06/02/09/1001060209.db2.gz JHDQUXRALWLEOV-XOJVXBCLSA-N 2 2 405.542 3.635 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000505850850 1001060215 /nfs/dbraw/zinc/06/02/15/1001060215.db2.gz JHDQUXRALWLEOV-XOJVXBCLSA-N 2 2 405.542 3.635 20 0 HHADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017583 1001165237 /nfs/dbraw/zinc/16/52/37/1001165237.db2.gz NCUSWXGTBUZCQH-GOSISDBHSA-N 2 2 405.608 3.560 20 0 HHADLP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506018332 1001166058 /nfs/dbraw/zinc/16/60/58/1001166058.db2.gz SVDUIGXVKPRUBE-SFHVURJKSA-N 2 2 416.541 3.685 20 0 HHADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022854 1001169412 /nfs/dbraw/zinc/16/94/12/1001169412.db2.gz YHXQNCOOFDNKJR-INIZCTEOSA-N 2 2 420.529 3.617 20 0 HHADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022854 1001169418 /nfs/dbraw/zinc/16/94/18/1001169418.db2.gz YHXQNCOOFDNKJR-INIZCTEOSA-N 2 2 420.529 3.617 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022854 1001169424 /nfs/dbraw/zinc/16/94/24/1001169424.db2.gz YHXQNCOOFDNKJR-INIZCTEOSA-N 2 2 420.529 3.617 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022854 1001169431 /nfs/dbraw/zinc/16/94/31/1001169431.db2.gz YHXQNCOOFDNKJR-INIZCTEOSA-N 2 2 420.529 3.617 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497466493 1001381499 /nfs/dbraw/zinc/38/14/99/1001381499.db2.gz HNRDESVEFNRWCC-FCHUYYIVSA-N 2 2 408.452 3.701 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497466493 1001381503 /nfs/dbraw/zinc/38/15/03/1001381503.db2.gz HNRDESVEFNRWCC-FCHUYYIVSA-N 2 2 408.452 3.701 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000506480005 1001431971 /nfs/dbraw/zinc/43/19/71/1001431971.db2.gz YMOVRNAPOXRDIT-ZRCGQRJVSA-N 2 2 406.574 3.845 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000506480005 1001431975 /nfs/dbraw/zinc/43/19/75/1001431975.db2.gz YMOVRNAPOXRDIT-ZRCGQRJVSA-N 2 2 406.574 3.845 20 0 HHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Oc1cccnc1 ZINC000497791147 1001515136 /nfs/dbraw/zinc/51/51/36/1001515136.db2.gz JQSICRLGNWJXCM-UHFFFAOYSA-N 2 2 423.561 3.862 20 0 HHADLP Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1F ZINC000506937084 1001604199 /nfs/dbraw/zinc/60/41/99/1001604199.db2.gz MFIHURRMUHVKNF-UHFFFAOYSA-N 2 2 406.505 3.848 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCOCC1)c1ccccc1 ZINC000498016330 1001606328 /nfs/dbraw/zinc/60/63/28/1001606328.db2.gz BYOQZVRFMGTQQR-HXUWFJFHSA-N 2 2 418.541 3.561 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(F)c1 ZINC000507078571 1001794628 /nfs/dbraw/zinc/79/46/28/1001794628.db2.gz KZAJLPYXIRRZIQ-GHTZIAJQSA-N 2 2 413.541 3.550 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)cn2c1 ZINC000498364881 1001797465 /nfs/dbraw/zinc/79/74/65/1001797465.db2.gz QANSFTXECNTGIO-FQEVSTJZSA-N 2 2 402.608 3.749 20 0 HHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106648 1001813821 /nfs/dbraw/zinc/81/38/21/1001813821.db2.gz XRBVTUIYVZLJLT-VQTJNVASSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106648 1001813834 /nfs/dbraw/zinc/81/38/34/1001813834.db2.gz XRBVTUIYVZLJLT-VQTJNVASSA-N 2 2 401.599 3.621 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125430 1001823747 /nfs/dbraw/zinc/82/37/47/1001823747.db2.gz HEXZJDJQGBRSQF-FCHUYYIVSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125430 1001823756 /nfs/dbraw/zinc/82/37/56/1001823756.db2.gz HEXZJDJQGBRSQF-FCHUYYIVSA-N 2 2 421.589 3.773 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCn3c(cc4ccccc43)C2)([NH+]2CCCCC2)CC1 ZINC000498423119 1001853053 /nfs/dbraw/zinc/85/30/53/1001853053.db2.gz OMTWPKIAAVJTAD-UHFFFAOYSA-N 2 2 423.605 3.507 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000498486906 1001913322 /nfs/dbraw/zinc/91/33/22/1001913322.db2.gz BODHYEOBSYNOAW-RTWAWAEBSA-N 2 2 416.953 3.595 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000498486906 1001913328 /nfs/dbraw/zinc/91/33/28/1001913328.db2.gz BODHYEOBSYNOAW-RTWAWAEBSA-N 2 2 416.953 3.595 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323050 1002001114 /nfs/dbraw/zinc/00/11/14/1002001114.db2.gz YNIHJJAJGZKMAU-AQNXPRMDSA-N 2 2 415.626 3.865 20 0 HHADLP Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1OCC[NH+]1CCCC1 ZINC000498647133 1002047753 /nfs/dbraw/zinc/04/77/53/1002047753.db2.gz QNUNIBOHYRBJCE-UHFFFAOYSA-N 2 2 404.514 3.967 20 0 HHADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)cc1Br ZINC000507461793 1002084750 /nfs/dbraw/zinc/08/47/50/1002084750.db2.gz BIOMQRDHDPZOHE-UHFFFAOYSA-N 2 2 422.411 3.746 20 0 HHADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498827483 1002212756 /nfs/dbraw/zinc/21/27/56/1002212756.db2.gz YPCFUCQJQXWYQX-QHCPKHFHSA-N 2 2 408.590 3.611 20 0 HHADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498827483 1002212765 /nfs/dbraw/zinc/21/27/65/1002212765.db2.gz YPCFUCQJQXWYQX-QHCPKHFHSA-N 2 2 408.590 3.611 20 0 HHADLP Cn1ccnc1[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800060 1002351955 /nfs/dbraw/zinc/35/19/55/1002351955.db2.gz YDCQEIXGAPUDQE-DNQXCXABSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccnc1[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800060 1002351966 /nfs/dbraw/zinc/35/19/66/1002351966.db2.gz YDCQEIXGAPUDQE-DNQXCXABSA-N 2 2 421.564 3.617 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(C[NH+]4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533616 /nfs/dbraw/zinc/53/36/16/1002533616.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(C[NH+]4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533626 /nfs/dbraw/zinc/53/36/26/1002533626.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000508528744 1003007130 /nfs/dbraw/zinc/00/71/30/1003007130.db2.gz ONRFZBLMTDVLDT-NFBKMPQASA-N 2 2 406.574 3.846 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499790292 1003125398 /nfs/dbraw/zinc/12/53/98/1003125398.db2.gz CQSZAVWYBSKBMB-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499790292 1003125401 /nfs/dbraw/zinc/12/54/01/1003125401.db2.gz CQSZAVWYBSKBMB-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690909 1003128621 /nfs/dbraw/zinc/12/86/21/1003128621.db2.gz LFJKHJXLRJMXJH-BAGYTPMASA-N 2 2 400.588 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690909 1003128624 /nfs/dbraw/zinc/12/86/24/1003128624.db2.gz LFJKHJXLRJMXJH-BAGYTPMASA-N 2 2 400.588 3.739 20 0 HHADLP CC(C)Cn1ncc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C(C)C ZINC000500030290 1003353924 /nfs/dbraw/zinc/35/39/24/1003353924.db2.gz PDFLZHXKOZKWKI-UHFFFAOYSA-N 2 2 418.630 3.734 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000508991189 1003462847 /nfs/dbraw/zinc/46/28/47/1003462847.db2.gz PCIWWICSXRJOES-SFHVURJKSA-N 2 2 419.367 3.780 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000508991189 1003462853 /nfs/dbraw/zinc/46/28/53/1003462853.db2.gz PCIWWICSXRJOES-SFHVURJKSA-N 2 2 419.367 3.780 20 0 HHADLP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509023460 1003494883 /nfs/dbraw/zinc/49/48/83/1003494883.db2.gz WCRLUIVQDCNNNS-FQEVSTJZSA-N 2 2 421.511 3.751 20 0 HHADLP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509023460 1003494889 /nfs/dbraw/zinc/49/48/89/1003494889.db2.gz WCRLUIVQDCNNNS-FQEVSTJZSA-N 2 2 421.511 3.751 20 0 HHADLP C(=C/c1ccccc1)\C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509280855 1003676687 /nfs/dbraw/zinc/67/66/87/1003676687.db2.gz XQBRWNYXJLWQNV-YRNVUSSQSA-N 2 2 404.602 3.530 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000509312844 1003700806 /nfs/dbraw/zinc/70/08/06/1003700806.db2.gz YYMGSTXBBVUPTB-RTWAWAEBSA-N 2 2 416.610 3.596 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000509312844 1003700800 /nfs/dbraw/zinc/70/08/00/1003700800.db2.gz YYMGSTXBBVUPTB-RTWAWAEBSA-N 2 2 416.610 3.596 20 0 HHADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000511856278 1003836312 /nfs/dbraw/zinc/83/63/12/1003836312.db2.gz WDGGCTUAHGNKAN-OAQYLSRUSA-N 2 2 419.573 3.856 20 0 HHADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000511856278 1003836377 /nfs/dbraw/zinc/83/63/77/1003836377.db2.gz WDGGCTUAHGNKAN-OAQYLSRUSA-N 2 2 419.573 3.856 20 0 HHADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509432158 1003857490 /nfs/dbraw/zinc/85/74/90/1003857490.db2.gz PUDNTRIOBGRACO-IBGZPJMESA-N 2 2 405.546 3.738 20 0 HHADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511921608 1003894844 /nfs/dbraw/zinc/89/48/44/1003894844.db2.gz HOPREHDYYQYXAP-SJORKVTESA-N 2 2 405.612 3.904 20 0 HHADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511921608 1003894856 /nfs/dbraw/zinc/89/48/56/1003894856.db2.gz HOPREHDYYQYXAP-SJORKVTESA-N 2 2 405.612 3.904 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000500687199 1003895035 /nfs/dbraw/zinc/89/50/35/1003895035.db2.gz NFHWAAAIZKHTIW-WOJBJXKFSA-N 2 2 409.578 3.861 20 0 HHADLP CC[N@H+](CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000509525835 1003923860 /nfs/dbraw/zinc/92/38/60/1003923860.db2.gz LKIABEXEFSEKSF-UHFFFAOYSA-N 2 2 417.557 3.882 20 0 HHADLP CC[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000509525835 1003923865 /nfs/dbraw/zinc/92/38/65/1003923865.db2.gz LKIABEXEFSEKSF-UHFFFAOYSA-N 2 2 417.557 3.882 20 0 HHADLP C[NH+](C)Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000500749370 1003935627 /nfs/dbraw/zinc/93/56/27/1003935627.db2.gz QWMAOKUBQDRYON-FQEVSTJZSA-N 2 2 401.938 3.631 20 0 HHADLP C[NH+](C)Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000500749370 1003935635 /nfs/dbraw/zinc/93/56/35/1003935635.db2.gz QWMAOKUBQDRYON-FQEVSTJZSA-N 2 2 401.938 3.631 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)CC1 ZINC000512086772 1004012208 /nfs/dbraw/zinc/01/22/08/1004012208.db2.gz GJGLAYYUHMCAMB-UHFFFAOYSA-N 2 2 408.409 3.938 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509790193 1004098609 /nfs/dbraw/zinc/09/86/09/1004098609.db2.gz NSIVHOLEWCCWHX-IRLDBZIGSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000509790193 1004098623 /nfs/dbraw/zinc/09/86/23/1004098623.db2.gz NSIVHOLEWCCWHX-IRLDBZIGSA-N 2 2 421.589 3.650 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000512232008 1004131412 /nfs/dbraw/zinc/13/14/12/1004131412.db2.gz WRNSTNPRUNDDNL-UHFFFAOYSA-N 2 2 417.557 3.698 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000501032734 1004135950 /nfs/dbraw/zinc/13/59/50/1004135950.db2.gz BQKKRWZZCNYZBD-HXUWFJFHSA-N 2 2 422.976 3.886 20 0 HHADLP COc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1OC(F)F ZINC000512389306 1004263720 /nfs/dbraw/zinc/26/37/20/1004263720.db2.gz JOTHNOONDDDZPZ-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP COc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1OC(F)F ZINC000512389306 1004263733 /nfs/dbraw/zinc/26/37/33/1004263733.db2.gz JOTHNOONDDDZPZ-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510097993 1004321386 /nfs/dbraw/zinc/32/13/86/1004321386.db2.gz FGXQUMGCLRINII-NZQKXSOJSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510097993 1004321392 /nfs/dbraw/zinc/32/13/92/1004321392.db2.gz FGXQUMGCLRINII-NZQKXSOJSA-N 2 2 402.542 3.962 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)c(C)c2)CC1 ZINC000510183364 1004381612 /nfs/dbraw/zinc/38/16/12/1004381612.db2.gz FVYFOVDIXZEQPV-UHFFFAOYSA-N 2 2 403.530 3.883 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000510185495 1004382736 /nfs/dbraw/zinc/38/27/36/1004382736.db2.gz MRKMETLPXBMNIM-QHCPKHFHSA-N 2 2 404.514 3.756 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436278 /nfs/dbraw/zinc/43/62/78/1004436278.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 3 2 419.613 3.909 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436283 /nfs/dbraw/zinc/43/62/83/1004436283.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 3 2 419.613 3.909 20 0 HHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483444 1004454820 /nfs/dbraw/zinc/45/48/20/1004454820.db2.gz IJGWJGNLSWIWBW-UXHICEINSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483444 1004454827 /nfs/dbraw/zinc/45/48/27/1004454827.db2.gz IJGWJGNLSWIWBW-UXHICEINSA-N 2 2 407.599 3.957 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667442 1004478077 /nfs/dbraw/zinc/47/80/77/1004478077.db2.gz PLMFBLQGYPIZNG-WOJBJXKFSA-N 2 2 423.454 3.863 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667442 1004478082 /nfs/dbraw/zinc/47/80/82/1004478082.db2.gz PLMFBLQGYPIZNG-WOJBJXKFSA-N 2 2 423.454 3.863 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000510330557 1004486340 /nfs/dbraw/zinc/48/63/40/1004486340.db2.gz HBRNOBKWTWGYIF-PELRDEGISA-N 2 2 422.013 3.856 20 0 HHADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512678793 1004487112 /nfs/dbraw/zinc/48/71/12/1004487112.db2.gz SAHLNARIPJHETN-HXUWFJFHSA-N 2 2 419.548 3.803 20 0 HHADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512678793 1004487121 /nfs/dbraw/zinc/48/71/21/1004487121.db2.gz SAHLNARIPJHETN-HXUWFJFHSA-N 2 2 419.548 3.803 20 0 HHADLP Fc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ncccc12 ZINC000512678380 1004487279 /nfs/dbraw/zinc/48/72/79/1004487279.db2.gz PMNFYKCRNRYHFP-HXUWFJFHSA-N 2 2 419.548 3.803 20 0 HHADLP Fc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ncccc12 ZINC000512678380 1004487284 /nfs/dbraw/zinc/48/72/84/1004487284.db2.gz PMNFYKCRNRYHFP-HXUWFJFHSA-N 2 2 419.548 3.803 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501539109 1004500498 /nfs/dbraw/zinc/50/04/98/1004500498.db2.gz WEMRXIBVAGUKPS-ZRNYENFQSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501539109 1004500509 /nfs/dbraw/zinc/50/05/09/1004500509.db2.gz WEMRXIBVAGUKPS-ZRNYENFQSA-N 2 2 402.583 3.538 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000501750733 1004679795 /nfs/dbraw/zinc/67/97/95/1004679795.db2.gz XBPKLYMUBCTSPP-UHFFFAOYSA-N 2 2 422.598 3.999 20 0 HHADLP c1ccc(OCc2ccncc2)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000513125796 1004820838 /nfs/dbraw/zinc/82/08/38/1004820838.db2.gz JZWGQURRSRLEMD-UHFFFAOYSA-N 2 2 403.526 3.783 20 0 HHADLP Fc1ccc([C@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000510790963 1004854004 /nfs/dbraw/zinc/85/40/04/1004854004.db2.gz JUGHWRXQSATMJO-DHIUTWEWSA-N 2 2 401.501 3.597 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000513322129 1004911252 /nfs/dbraw/zinc/91/12/52/1004911252.db2.gz PRUVUBGQPJXCGE-ZODMCCGTSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000513322129 1004911256 /nfs/dbraw/zinc/91/12/56/1004911256.db2.gz PRUVUBGQPJXCGE-ZODMCCGTSA-N 2 2 405.586 3.863 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502163905 1004932511 /nfs/dbraw/zinc/93/25/11/1004932511.db2.gz WZHRIYLHQMLGRH-SFHVURJKSA-N 2 2 411.550 3.571 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000511035800 1004991426 /nfs/dbraw/zinc/99/14/26/1004991426.db2.gz UHPFXCQLHXAGJM-LJQANCHMSA-N 2 2 422.976 3.713 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000511035800 1004991428 /nfs/dbraw/zinc/99/14/28/1004991428.db2.gz UHPFXCQLHXAGJM-LJQANCHMSA-N 2 2 422.976 3.713 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513513367 1004999226 /nfs/dbraw/zinc/99/92/26/1004999226.db2.gz FMMRNFXSVHAZLD-UHFFFAOYSA-N 2 2 418.585 3.795 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513513367 1004999230 /nfs/dbraw/zinc/99/92/30/1004999230.db2.gz FMMRNFXSVHAZLD-UHFFFAOYSA-N 2 2 418.585 3.795 20 0 HHADLP O=C(COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCC1 ZINC000502335172 1005018345 /nfs/dbraw/zinc/01/83/45/1005018345.db2.gz ALEFCVQEQIUVLR-OAQYLSRUSA-N 2 2 422.573 3.600 20 0 HHADLP O=C(COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCC1 ZINC000502335172 1005018351 /nfs/dbraw/zinc/01/83/51/1005018351.db2.gz ALEFCVQEQIUVLR-OAQYLSRUSA-N 2 2 422.573 3.600 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000513568352 1005027897 /nfs/dbraw/zinc/02/78/97/1005027897.db2.gz LXSKFBOHRHMFFN-UHFFFAOYSA-N 2 2 422.548 3.875 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000513568352 1005027900 /nfs/dbraw/zinc/02/79/00/1005027900.db2.gz LXSKFBOHRHMFFN-UHFFFAOYSA-N 2 2 422.548 3.875 20 0 HHADLP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1OCc1ccccc1 ZINC000513662233 1005071634 /nfs/dbraw/zinc/07/16/34/1005071634.db2.gz UTAAKBCRSYGYHQ-XMMPIXPASA-N 2 2 423.601 3.876 20 0 HHADLP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1OCc1ccccc1 ZINC000513662233 1005071639 /nfs/dbraw/zinc/07/16/39/1005071639.db2.gz UTAAKBCRSYGYHQ-XMMPIXPASA-N 2 2 423.601 3.876 20 0 HHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502464994 1005084050 /nfs/dbraw/zinc/08/40/50/1005084050.db2.gz SYVJOOYPVVHGOH-NFBKMPQASA-N 2 2 412.574 3.824 20 0 HHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502464994 1005084056 /nfs/dbraw/zinc/08/40/56/1005084056.db2.gz SYVJOOYPVVHGOH-NFBKMPQASA-N 2 2 412.574 3.824 20 0 HHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502465000 1005084175 /nfs/dbraw/zinc/08/41/75/1005084175.db2.gz SYVJOOYPVVHGOH-OFNKIYASSA-N 2 2 412.574 3.824 20 0 HHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502465000 1005084177 /nfs/dbraw/zinc/08/41/77/1005084177.db2.gz SYVJOOYPVVHGOH-OFNKIYASSA-N 2 2 412.574 3.824 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000511246801 1005089455 /nfs/dbraw/zinc/08/94/55/1005089455.db2.gz HLEKTKZLHJOUPD-MOPGFXCFSA-N 2 2 418.651 3.791 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000511246801 1005089460 /nfs/dbraw/zinc/08/94/60/1005089460.db2.gz HLEKTKZLHJOUPD-MOPGFXCFSA-N 2 2 418.651 3.791 20 0 HHADLP CN1CCO[C@@H]([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000511379323 1005148387 /nfs/dbraw/zinc/14/83/87/1005148387.db2.gz DDNGYJILKKYYNO-DHIUTWEWSA-N 2 2 410.949 3.746 20 0 HHADLP CN1CCO[C@@H]([C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccc(Cl)cc2)C1 ZINC000511398840 1005157694 /nfs/dbraw/zinc/15/76/94/1005157694.db2.gz NCAIQBWKDZPOJA-DHIUTWEWSA-N 2 2 410.949 3.746 20 0 HHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nn1C ZINC000502714040 1005188827 /nfs/dbraw/zinc/18/88/27/1005188827.db2.gz XYQMIATZJQLTIT-NRFANRHFSA-N 2 2 403.574 3.902 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1 ZINC000513988659 1005215713 /nfs/dbraw/zinc/21/57/13/1005215713.db2.gz BKLYDSISEJUPDT-QFIPXVFZSA-N 2 2 415.965 3.847 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000502947377 1005287229 /nfs/dbraw/zinc/28/72/29/1005287229.db2.gz FCRXKUNUPTUBPM-LJQANCHMSA-N 2 2 405.546 3.860 20 0 HHADLP Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000502967189 1005296069 /nfs/dbraw/zinc/29/60/69/1005296069.db2.gz AULKNVVRUTUITO-LJQANCHMSA-N 2 2 409.549 3.662 20 0 HHADLP Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000502967189 1005296071 /nfs/dbraw/zinc/29/60/71/1005296071.db2.gz AULKNVVRUTUITO-LJQANCHMSA-N 2 2 409.549 3.662 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+](C)C)cc1 ZINC000514168391 1005296868 /nfs/dbraw/zinc/29/68/68/1005296868.db2.gz XSTIOEWRTADUSN-JOCHJYFZSA-N 2 2 409.509 3.676 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1Cl ZINC000514197062 1005307857 /nfs/dbraw/zinc/30/78/57/1005307857.db2.gz IDFBQCBTXRVAHM-JXFKEZNVSA-N 2 2 405.974 3.863 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)s1 ZINC000511765676 1005314551 /nfs/dbraw/zinc/31/45/51/1005314551.db2.gz VBGCJZMJKXWFOW-UHFFFAOYSA-N 2 2 411.575 3.614 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503072599 1005337633 /nfs/dbraw/zinc/33/76/33/1005337633.db2.gz LHKVXKBZDJYYKY-JXFKEZNVSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503072599 1005337639 /nfs/dbraw/zinc/33/76/39/1005337639.db2.gz LHKVXKBZDJYYKY-JXFKEZNVSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073518 1005338300 /nfs/dbraw/zinc/33/83/00/1005338300.db2.gz HQISGEGVCRHZSJ-LMMKCTJWSA-N 2 2 401.580 3.977 20 0 HHADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503073518 1005338302 /nfs/dbraw/zinc/33/83/02/1005338302.db2.gz HQISGEGVCRHZSJ-LMMKCTJWSA-N 2 2 401.580 3.977 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503075485 1005339803 /nfs/dbraw/zinc/33/98/03/1005339803.db2.gz VBDDNZOMPJHESZ-FDDCHVKYSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503075485 1005339806 /nfs/dbraw/zinc/33/98/06/1005339806.db2.gz VBDDNZOMPJHESZ-FDDCHVKYSA-N 2 2 403.530 3.563 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000503146844 1005356835 /nfs/dbraw/zinc/35/68/35/1005356835.db2.gz NZYREZCXFUXVOV-VWLOTQADSA-N 2 2 414.553 3.716 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000503146844 1005356837 /nfs/dbraw/zinc/35/68/37/1005356837.db2.gz NZYREZCXFUXVOV-VWLOTQADSA-N 2 2 414.553 3.716 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159317 1005359394 /nfs/dbraw/zinc/35/93/94/1005359394.db2.gz IKXGVWPWRPMKKX-VXKWHMMOSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccncc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159317 1005359396 /nfs/dbraw/zinc/35/93/96/1005359396.db2.gz IKXGVWPWRPMKKX-VXKWHMMOSA-N 2 2 412.965 3.825 20 0 HHADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503375704 1005401671 /nfs/dbraw/zinc/40/16/71/1005401671.db2.gz MADVCHULPLMFBU-NRFANRHFSA-N 2 2 424.589 3.553 20 0 HHADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503375704 1005401672 /nfs/dbraw/zinc/40/16/72/1005401672.db2.gz MADVCHULPLMFBU-NRFANRHFSA-N 2 2 424.589 3.553 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379003 1005402623 /nfs/dbraw/zinc/40/26/23/1005402623.db2.gz UIKSGEVQCBWGAU-SJLPKXTDSA-N 2 2 416.516 3.897 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379003 1005402625 /nfs/dbraw/zinc/40/26/25/1005402625.db2.gz UIKSGEVQCBWGAU-SJLPKXTDSA-N 2 2 416.516 3.897 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379755 1005403043 /nfs/dbraw/zinc/40/30/43/1005403043.db2.gz REHWADJGEMQJIB-UYAOXDASSA-N 2 2 419.573 3.628 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379755 1005403045 /nfs/dbraw/zinc/40/30/45/1005403045.db2.gz REHWADJGEMQJIB-UYAOXDASSA-N 2 2 419.573 3.628 20 0 HHADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)ccc1C ZINC000503381837 1005403808 /nfs/dbraw/zinc/40/38/08/1005403808.db2.gz FSFJHFPGCYLYBF-SFHVURJKSA-N 2 2 407.518 3.966 20 0 HHADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)ccc1C ZINC000503381837 1005403811 /nfs/dbraw/zinc/40/38/11/1005403811.db2.gz FSFJHFPGCYLYBF-SFHVURJKSA-N 2 2 407.518 3.966 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437006 1005420143 /nfs/dbraw/zinc/42/01/43/1005420143.db2.gz LQWWXRJMCZVEBQ-GBESFXJTSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437006 1005420146 /nfs/dbraw/zinc/42/01/46/1005420146.db2.gz LQWWXRJMCZVEBQ-GBESFXJTSA-N 2 2 410.562 3.673 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000503638767 1005470842 /nfs/dbraw/zinc/47/08/42/1005470842.db2.gz ANOQMMOPIZPRNG-HXUWFJFHSA-N 2 2 405.011 3.599 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000503638767 1005470844 /nfs/dbraw/zinc/47/08/44/1005470844.db2.gz ANOQMMOPIZPRNG-HXUWFJFHSA-N 2 2 405.011 3.599 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccccc1 ZINC000503736861 1005487580 /nfs/dbraw/zinc/48/75/80/1005487580.db2.gz KXCYOZCCRROIBA-NRFANRHFSA-N 2 2 424.589 3.522 20 0 HHADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000514440323 1005992622 /nfs/dbraw/zinc/99/26/22/1005992622.db2.gz JQIJDNKTVMQWAG-QGZVFWFLSA-N 2 2 420.479 3.554 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000534207071 1006200890 /nfs/dbraw/zinc/20/08/90/1006200890.db2.gz LOJZYFKBEKSQMY-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000534207071 1006200901 /nfs/dbraw/zinc/20/09/01/1006200901.db2.gz LOJZYFKBEKSQMY-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213602 1006208869 /nfs/dbraw/zinc/20/88/69/1006208869.db2.gz PTWMSZWEXYTQRS-ZWKOTPCHSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213602 1006208877 /nfs/dbraw/zinc/20/88/77/1006208877.db2.gz PTWMSZWEXYTQRS-ZWKOTPCHSA-N 2 2 412.500 3.905 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236490 1006241678 /nfs/dbraw/zinc/24/16/78/1006241678.db2.gz RODUGMBYICMGHL-LPHOPBHVSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236490 1006241685 /nfs/dbraw/zinc/24/16/85/1006241685.db2.gz RODUGMBYICMGHL-LPHOPBHVSA-N 2 2 419.932 3.784 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236396 1006241741 /nfs/dbraw/zinc/24/17/41/1006241741.db2.gz VIGOEDJKGDLHHI-PXNSSMCTSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236396 1006241751 /nfs/dbraw/zinc/24/17/51/1006241751.db2.gz VIGOEDJKGDLHHI-PXNSSMCTSA-N 2 2 421.948 3.756 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534254481 1006263753 /nfs/dbraw/zinc/26/37/53/1006263753.db2.gz WZPASWFJSMILCL-GPMSIDNRSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534254481 1006263763 /nfs/dbraw/zinc/26/37/63/1006263763.db2.gz WZPASWFJSMILCL-GPMSIDNRSA-N 2 2 419.932 3.784 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534310682 1006291727 /nfs/dbraw/zinc/29/17/27/1006291727.db2.gz UHTUSPLBGXSURC-YADHBBJMSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534310682 1006291736 /nfs/dbraw/zinc/29/17/36/1006291736.db2.gz UHTUSPLBGXSURC-YADHBBJMSA-N 2 2 412.553 3.783 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358291 1006318992 /nfs/dbraw/zinc/31/89/92/1006318992.db2.gz ABZJLMVMERGHLW-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358291 1006319004 /nfs/dbraw/zinc/31/90/04/1006319004.db2.gz ABZJLMVMERGHLW-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358803 1006322481 /nfs/dbraw/zinc/32/24/81/1006322481.db2.gz MEYBKXOQJALFHM-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358803 1006322491 /nfs/dbraw/zinc/32/24/91/1006322491.db2.gz MEYBKXOQJALFHM-VQTJNVASSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375534 1006343514 /nfs/dbraw/zinc/34/35/14/1006343514.db2.gz IUTCKHLWSGROSC-MSOLQXFVSA-N 2 2 413.031 3.880 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375534 1006343522 /nfs/dbraw/zinc/34/35/22/1006343522.db2.gz IUTCKHLWSGROSC-MSOLQXFVSA-N 2 2 413.031 3.880 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375325 1006343613 /nfs/dbraw/zinc/34/36/13/1006343613.db2.gz HFTGTWGDFGAFSF-SFTDATJTSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375325 1006343622 /nfs/dbraw/zinc/34/36/22/1006343622.db2.gz HFTGTWGDFGAFSF-SFTDATJTSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376348 1006344505 /nfs/dbraw/zinc/34/45/05/1006344505.db2.gz CNFKSLLSHNZFGT-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376348 1006344513 /nfs/dbraw/zinc/34/45/13/1006344513.db2.gz CNFKSLLSHNZFGT-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000531683598 1006352100 /nfs/dbraw/zinc/35/21/00/1006352100.db2.gz WNGBDYMZFZRNBG-UHFFFAOYSA-N 3 2 406.618 3.971 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381964 1006353030 /nfs/dbraw/zinc/35/30/30/1006353030.db2.gz KRDVJWCAFNJUCA-LEWJYISDSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381964 1006353041 /nfs/dbraw/zinc/35/30/41/1006353041.db2.gz KRDVJWCAFNJUCA-LEWJYISDSA-N 2 2 422.976 3.742 20 0 HHADLP COc1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCCC2)cc1 ZINC000531692534 1006357831 /nfs/dbraw/zinc/35/78/31/1006357831.db2.gz DAEYPAXEIWQOSM-VWLOTQADSA-N 2 2 408.590 3.871 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384915 1006357977 /nfs/dbraw/zinc/35/79/77/1006357977.db2.gz LVSVKYWGLUVBCT-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384915 1006357988 /nfs/dbraw/zinc/35/79/88/1006357988.db2.gz LVSVKYWGLUVBCT-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720727 1006378509 /nfs/dbraw/zinc/37/85/09/1006378509.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720727 1006378517 /nfs/dbraw/zinc/37/85/17/1006378517.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720727 1006378523 /nfs/dbraw/zinc/37/85/23/1006378523.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720727 1006378533 /nfs/dbraw/zinc/37/85/33/1006378533.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720727 1006378543 /nfs/dbraw/zinc/37/85/43/1006378543.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720727 1006378552 /nfs/dbraw/zinc/37/85/52/1006378552.db2.gz BMKWXBWBRRDECB-GGLXGSTNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3CCc4ccccc4C3)n2)C1 ZINC000515385318 1006430468 /nfs/dbraw/zinc/43/04/68/1006430468.db2.gz XJTKURZZBSQMNM-QGZVFWFLSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3CCc4ccccc4C3)n2)C1 ZINC000515385318 1006430476 /nfs/dbraw/zinc/43/04/76/1006430476.db2.gz XJTKURZZBSQMNM-QGZVFWFLSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)n2)C1 ZINC000515385318 1006430483 /nfs/dbraw/zinc/43/04/83/1006430483.db2.gz XJTKURZZBSQMNM-QGZVFWFLSA-N 2 2 413.591 3.555 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)n2)C1 ZINC000515385318 1006430489 /nfs/dbraw/zinc/43/04/89/1006430489.db2.gz XJTKURZZBSQMNM-QGZVFWFLSA-N 2 2 413.591 3.555 20 0 HHADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505837 1006503878 /nfs/dbraw/zinc/50/38/78/1006503878.db2.gz UHMVTYBJHAMIEF-DNQXCXABSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505837 1006503886 /nfs/dbraw/zinc/50/38/86/1006503886.db2.gz UHMVTYBJHAMIEF-DNQXCXABSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505837 1006503895 /nfs/dbraw/zinc/50/38/95/1006503895.db2.gz UHMVTYBJHAMIEF-DNQXCXABSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505837 1006503904 /nfs/dbraw/zinc/50/39/04/1006503904.db2.gz UHMVTYBJHAMIEF-DNQXCXABSA-N 2 2 403.570 3.632 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521242 1006516991 /nfs/dbraw/zinc/51/69/91/1006516991.db2.gz ZAHHPZVQPSTSRH-YLJYHZDGSA-N 2 2 415.607 3.669 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)n2)C1 ZINC000534521242 1006517000 /nfs/dbraw/zinc/51/70/00/1006517000.db2.gz ZAHHPZVQPSTSRH-YLJYHZDGSA-N 2 2 415.607 3.669 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000534538910 1006530490 /nfs/dbraw/zinc/53/04/90/1006530490.db2.gz AYNQHKQXWYQKJK-QFIPXVFZSA-N 2 2 412.965 3.790 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000534538910 1006530501 /nfs/dbraw/zinc/53/05/01/1006530501.db2.gz AYNQHKQXWYQKJK-QFIPXVFZSA-N 2 2 412.965 3.790 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000531974918 1006555466 /nfs/dbraw/zinc/55/54/66/1006555466.db2.gz AHDWOARKNBSWLC-HNNXBMFYSA-N 2 2 411.974 3.545 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CCC2 ZINC000531988206 1006562246 /nfs/dbraw/zinc/56/22/46/1006562246.db2.gz MXEDHMFFZYBFPV-UKRRQHHQSA-N 2 2 410.440 3.974 20 0 HHADLP Ic1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532194697 1006711591 /nfs/dbraw/zinc/71/15/91/1006711591.db2.gz YQXFEBIJLGWWSA-MRXNPFEDSA-N 2 2 411.287 3.771 20 0 HHADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538464792 1006733830 /nfs/dbraw/zinc/73/38/30/1006733830.db2.gz IRMJOYZHNHPGGM-IBGZPJMESA-N 2 2 406.452 3.730 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891648 1006742160 /nfs/dbraw/zinc/74/21/60/1006742160.db2.gz WWBLDILYZZRIDE-RPWUZVMVSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891648 1006742174 /nfs/dbraw/zinc/74/21/74/1006742174.db2.gz WWBLDILYZZRIDE-RPWUZVMVSA-N 2 2 422.573 3.571 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556714 1006818309 /nfs/dbraw/zinc/81/83/09/1006818309.db2.gz FKKFFWSMZVTNLE-KKSFZXQISA-N 2 2 408.550 3.679 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Br)c1 ZINC000516210507 1006948136 /nfs/dbraw/zinc/94/81/36/1006948136.db2.gz LXBMBYPDDFRBPX-CQSZACIVSA-N 2 2 408.340 3.644 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942610 1006983438 /nfs/dbraw/zinc/98/34/38/1006983438.db2.gz RXDOCOXJLSZJSY-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942610 1006983448 /nfs/dbraw/zinc/98/34/48/1006983448.db2.gz RXDOCOXJLSZJSY-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720249 1006994947 /nfs/dbraw/zinc/99/49/47/1006994947.db2.gz PHQDLFPAQQXDES-AAEUAGOBSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720249 1006994961 /nfs/dbraw/zinc/99/49/61/1006994961.db2.gz PHQDLFPAQQXDES-AAEUAGOBSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720249 1006994978 /nfs/dbraw/zinc/99/49/78/1006994978.db2.gz PHQDLFPAQQXDES-AAEUAGOBSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720249 1006994994 /nfs/dbraw/zinc/99/49/94/1006994994.db2.gz PHQDLFPAQQXDES-AAEUAGOBSA-N 2 2 407.299 3.974 20 0 HHADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000535086013 1007099395 /nfs/dbraw/zinc/09/93/95/1007099395.db2.gz NVBUSSNBNNPYJC-DEOSSOPVSA-N 2 2 419.548 3.979 20 0 HHADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000535086013 1007099413 /nfs/dbraw/zinc/09/94/13/1007099413.db2.gz NVBUSSNBNNPYJC-DEOSSOPVSA-N 2 2 419.548 3.979 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093151 1007107285 /nfs/dbraw/zinc/10/72/85/1007107285.db2.gz BWEQFVOEPNMRKA-GOTSBHOMSA-N 2 2 400.611 3.593 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093151 1007107289 /nfs/dbraw/zinc/10/72/89/1007107289.db2.gz BWEQFVOEPNMRKA-GOTSBHOMSA-N 2 2 400.611 3.593 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093928 1007108223 /nfs/dbraw/zinc/10/82/23/1007108223.db2.gz DMOFGUYYRJRVOD-OALUTQOASA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093928 1007108230 /nfs/dbraw/zinc/10/82/30/1007108230.db2.gz DMOFGUYYRJRVOD-OALUTQOASA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093917 1007108408 /nfs/dbraw/zinc/10/84/08/1007108408.db2.gz DMOFGUYYRJRVOD-MOPGFXCFSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093917 1007108413 /nfs/dbraw/zinc/10/84/13/1007108413.db2.gz DMOFGUYYRJRVOD-MOPGFXCFSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093661 1007108492 /nfs/dbraw/zinc/10/84/92/1007108492.db2.gz DCNBFHOTIMCMAG-DNQXCXABSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093661 1007108499 /nfs/dbraw/zinc/10/84/99/1007108499.db2.gz DCNBFHOTIMCMAG-DNQXCXABSA-N 2 2 408.590 3.887 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095023 1007110632 /nfs/dbraw/zinc/11/06/32/1007110632.db2.gz MAHSTTTZRLAESM-WOJBJXKFSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095023 1007110637 /nfs/dbraw/zinc/11/06/37/1007110637.db2.gz MAHSTTTZRLAESM-WOJBJXKFSA-N 2 2 404.624 3.603 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095608 1007112272 /nfs/dbraw/zinc/11/22/72/1007112272.db2.gz LTJQOIJDHVQUTO-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095608 1007112276 /nfs/dbraw/zinc/11/22/76/1007112276.db2.gz LTJQOIJDHVQUTO-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096078 1007112859 /nfs/dbraw/zinc/11/28/59/1007112859.db2.gz OKFKIOCAZKOJCK-JVSAHFFESA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096078 1007112868 /nfs/dbraw/zinc/11/28/68/1007112868.db2.gz OKFKIOCAZKOJCK-JVSAHFFESA-N 2 2 419.560 3.864 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096212 1007112897 /nfs/dbraw/zinc/11/28/97/1007112897.db2.gz MTCFGWAUNLKEDM-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096212 1007112901 /nfs/dbraw/zinc/11/29/01/1007112901.db2.gz MTCFGWAUNLKEDM-DNQXCXABSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095905 1007112991 /nfs/dbraw/zinc/11/29/91/1007112991.db2.gz LKUCGVWEETXCAP-YADHBBJMSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095905 1007112998 /nfs/dbraw/zinc/11/29/98/1007112998.db2.gz LKUCGVWEETXCAP-YADHBBJMSA-N 2 2 400.542 3.716 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097613 1007115143 /nfs/dbraw/zinc/11/51/43/1007115143.db2.gz XABFLZAZVQNKBJ-DNQXCXABSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097613 1007115159 /nfs/dbraw/zinc/11/51/59/1007115159.db2.gz XABFLZAZVQNKBJ-DNQXCXABSA-N 2 2 410.606 3.814 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097568 1007115784 /nfs/dbraw/zinc/11/57/84/1007115784.db2.gz VLJXJZXUGTWDQW-XZOQPEGZSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097568 1007115790 /nfs/dbraw/zinc/11/57/90/1007115790.db2.gz VLJXJZXUGTWDQW-XZOQPEGZSA-N 2 2 421.589 3.553 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118724 1007149034 /nfs/dbraw/zinc/14/90/34/1007149034.db2.gz WOKBHRHVWIOLIU-FCDRMGDPSA-N 2 2 410.965 3.596 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118724 1007149038 /nfs/dbraw/zinc/14/90/38/1007149038.db2.gz WOKBHRHVWIOLIU-FCDRMGDPSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118724 1007149043 /nfs/dbraw/zinc/14/90/43/1007149043.db2.gz WOKBHRHVWIOLIU-FCDRMGDPSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118724 1007149051 /nfs/dbraw/zinc/14/90/51/1007149051.db2.gz WOKBHRHVWIOLIU-FCDRMGDPSA-N 2 2 410.965 3.596 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118727 1007149273 /nfs/dbraw/zinc/14/92/73/1007149273.db2.gz WOKBHRHVWIOLIU-WEFJBSGNSA-N 2 2 410.965 3.596 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118727 1007149276 /nfs/dbraw/zinc/14/92/76/1007149276.db2.gz WOKBHRHVWIOLIU-WEFJBSGNSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118727 1007149285 /nfs/dbraw/zinc/14/92/85/1007149285.db2.gz WOKBHRHVWIOLIU-WEFJBSGNSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118727 1007149291 /nfs/dbraw/zinc/14/92/91/1007149291.db2.gz WOKBHRHVWIOLIU-WEFJBSGNSA-N 2 2 410.965 3.596 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847059 1007232980 /nfs/dbraw/zinc/23/29/80/1007232980.db2.gz BUALFAJWOOPLFF-PMACEKPBSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847059 1007232987 /nfs/dbraw/zinc/23/29/87/1007232987.db2.gz BUALFAJWOOPLFF-PMACEKPBSA-N 2 2 410.965 3.644 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535263561 1007313375 /nfs/dbraw/zinc/31/33/75/1007313375.db2.gz ADQGAMGUDODAEJ-XMMPIXPASA-N 2 2 418.541 3.898 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000535263561 1007313386 /nfs/dbraw/zinc/31/33/86/1007313386.db2.gz ADQGAMGUDODAEJ-XMMPIXPASA-N 2 2 418.541 3.898 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535263561 1007313398 /nfs/dbraw/zinc/31/33/98/1007313398.db2.gz ADQGAMGUDODAEJ-XMMPIXPASA-N 2 2 418.541 3.898 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535263561 1007313411 /nfs/dbraw/zinc/31/34/11/1007313411.db2.gz ADQGAMGUDODAEJ-XMMPIXPASA-N 2 2 418.541 3.898 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)N3CC[NH+](Cc4ccsc4)CC3)CC2)CC1 ZINC000535265699 1007314260 /nfs/dbraw/zinc/31/42/60/1007314260.db2.gz LZWFFSAISSWIEP-UHFFFAOYSA-N 2 2 404.624 3.618 20 0 HHADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000539076592 1007367867 /nfs/dbraw/zinc/36/78/67/1007367867.db2.gz AHNLXCRCDOKIEZ-DHIUTWEWSA-N 2 2 423.605 3.529 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2ccccc2c1 ZINC000539077680 1007368872 /nfs/dbraw/zinc/36/88/72/1007368872.db2.gz RERUHIWGGWVPMI-AUSIDOKSSA-N 2 2 417.557 3.786 20 0 HHADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2ccccc2c1 ZINC000539077681 1007369214 /nfs/dbraw/zinc/36/92/14/1007369214.db2.gz RERUHIWGGWVPMI-CVDCTZTESA-N 2 2 417.557 3.786 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539116304 1007403382 /nfs/dbraw/zinc/40/33/82/1007403382.db2.gz VQKMMGGQUJNQJU-WOJBJXKFSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539116304 1007403388 /nfs/dbraw/zinc/40/33/88/1007403388.db2.gz VQKMMGGQUJNQJU-WOJBJXKFSA-N 2 2 408.949 3.540 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169203 1007508667 /nfs/dbraw/zinc/50/86/67/1007508667.db2.gz FBTOCKNPINEVDH-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169203 1007508676 /nfs/dbraw/zinc/50/86/76/1007508676.db2.gz FBTOCKNPINEVDH-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170089 1007509655 /nfs/dbraw/zinc/50/96/55/1007509655.db2.gz RNCOTPGQZPDMIM-GUDVDZBRSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170089 1007509661 /nfs/dbraw/zinc/50/96/61/1007509661.db2.gz RNCOTPGQZPDMIM-GUDVDZBRSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000535559892 1007593444 /nfs/dbraw/zinc/59/34/44/1007593444.db2.gz OUHVJDWOROAKQI-DEOSSOPVSA-N 2 2 412.622 3.742 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000517381462 1007612633 /nfs/dbraw/zinc/61/26/33/1007612633.db2.gz LYYVCEJZNXPYJM-QHCPKHFHSA-N 2 2 405.546 3.814 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533308367 1007625179 /nfs/dbraw/zinc/62/51/79/1007625179.db2.gz DQWFPSRJUZIDLC-NRFANRHFSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533308367 1007625184 /nfs/dbraw/zinc/62/51/84/1007625184.db2.gz DQWFPSRJUZIDLC-NRFANRHFSA-N 2 2 422.573 3.518 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517470828 1007696059 /nfs/dbraw/zinc/69/60/59/1007696059.db2.gz MUFNAFJEQWKJFI-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP CCC(CC)n1nc(C)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539392381 1007696887 /nfs/dbraw/zinc/69/68/87/1007696887.db2.gz RTBUMTNWDZTQRF-YADHBBJMSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539392381 1007696896 /nfs/dbraw/zinc/69/68/96/1007696896.db2.gz RTBUMTNWDZTQRF-YADHBBJMSA-N 2 2 417.642 3.962 20 0 HHADLP CC(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535677232 1007702772 /nfs/dbraw/zinc/70/27/72/1007702772.db2.gz VXZIFWZXFCNUMS-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535677232 1007702780 /nfs/dbraw/zinc/70/27/80/1007702780.db2.gz VXZIFWZXFCNUMS-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443633 1007754043 /nfs/dbraw/zinc/75/40/43/1007754043.db2.gz UKIXHLGHGDOALC-MSOLQXFVSA-N 2 2 422.643 3.538 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443633 1007754052 /nfs/dbraw/zinc/75/40/52/1007754052.db2.gz UKIXHLGHGDOALC-MSOLQXFVSA-N 2 2 422.643 3.538 20 0 HHADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]Cc2ccccc2OCc2ccncc2)c1 ZINC000517539771 1007755630 /nfs/dbraw/zinc/75/56/30/1007755630.db2.gz DIOLEPYRTLJCFL-UHFFFAOYSA-N 2 2 403.526 3.783 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461490 1007772488 /nfs/dbraw/zinc/77/24/88/1007772488.db2.gz VFBLGXSQEOFPJA-DZFGPLHGSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H](C)n1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539461490 1007772493 /nfs/dbraw/zinc/77/24/93/1007772493.db2.gz VFBLGXSQEOFPJA-DZFGPLHGSA-N 2 2 418.630 3.963 20 0 HHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495125 1007805540 /nfs/dbraw/zinc/80/55/40/1007805540.db2.gz FKEFQCAIQKNDFP-ZWKOTPCHSA-N 2 2 414.363 3.572 20 0 HHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)cc(Br)c1 ZINC000539495125 1007805549 /nfs/dbraw/zinc/80/55/49/1007805549.db2.gz FKEFQCAIQKNDFP-ZWKOTPCHSA-N 2 2 414.363 3.572 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822946 1007836802 /nfs/dbraw/zinc/83/68/02/1007836802.db2.gz ITQAMQJGRWDBOM-UGKGYDQZSA-N 2 2 404.514 3.906 20 0 HHADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822946 1007836812 /nfs/dbraw/zinc/83/68/12/1007836812.db2.gz ITQAMQJGRWDBOM-UGKGYDQZSA-N 2 2 404.514 3.906 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856651 1007871295 /nfs/dbraw/zinc/87/12/95/1007871295.db2.gz QTZRLGYBOWCXEA-ZEQRLZLVSA-N 2 2 423.605 3.794 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856651 1007871302 /nfs/dbraw/zinc/87/13/02/1007871302.db2.gz QTZRLGYBOWCXEA-ZEQRLZLVSA-N 2 2 423.605 3.794 20 0 HHADLP CCC1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000533588800 1007887031 /nfs/dbraw/zinc/88/70/31/1007887031.db2.gz DDFSBUHIYNYERH-UHFFFAOYSA-N 2 2 404.558 3.994 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876484 1007894854 /nfs/dbraw/zinc/89/48/54/1007894854.db2.gz MCJIQDAPEITPBU-NMNUPHIUSA-N 2 2 418.626 3.888 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876484 1007894861 /nfs/dbraw/zinc/89/48/61/1007894861.db2.gz MCJIQDAPEITPBU-NMNUPHIUSA-N 2 2 418.626 3.888 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878718 1007896949 /nfs/dbraw/zinc/89/69/49/1007896949.db2.gz ZNZDJXPTULEVBT-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1c(F)cccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878718 1007896958 /nfs/dbraw/zinc/89/69/58/1007896958.db2.gz ZNZDJXPTULEVBT-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626805 1007929541 /nfs/dbraw/zinc/92/95/41/1007929541.db2.gz PREIPEFFESJRNO-SCTDSRPQSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626805 1007929543 /nfs/dbraw/zinc/92/95/43/1007929543.db2.gz PREIPEFFESJRNO-SCTDSRPQSA-N 2 2 424.973 3.888 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646939 1007955661 /nfs/dbraw/zinc/95/56/61/1007955661.db2.gz HSASVAKFMXUZOQ-PLACYPQZSA-N 2 2 403.636 3.956 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646939 1007955664 /nfs/dbraw/zinc/95/56/64/1007955664.db2.gz HSASVAKFMXUZOQ-PLACYPQZSA-N 2 2 403.636 3.956 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647903 1007956841 /nfs/dbraw/zinc/95/68/41/1007956841.db2.gz NNTCASGVDNGGMX-XZOQPEGZSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647903 1007956849 /nfs/dbraw/zinc/95/68/49/1007956849.db2.gz NNTCASGVDNGGMX-XZOQPEGZSA-N 2 2 401.595 3.560 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649286 1007960023 /nfs/dbraw/zinc/96/00/23/1007960023.db2.gz RXWCGWDYCAPJRK-KNXBSLHKSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649286 1007960027 /nfs/dbraw/zinc/96/00/27/1007960027.db2.gz RXWCGWDYCAPJRK-KNXBSLHKSA-N 2 2 407.549 3.864 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650261 1007962543 /nfs/dbraw/zinc/96/25/43/1007962543.db2.gz SLPXHYAQJKIWIH-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650261 1007962553 /nfs/dbraw/zinc/96/25/53/1007962553.db2.gz SLPXHYAQJKIWIH-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650259 1007962580 /nfs/dbraw/zinc/96/25/80/1007962580.db2.gz SLPXHYAQJKIWIH-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650259 1007962595 /nfs/dbraw/zinc/96/25/95/1007962595.db2.gz SLPXHYAQJKIWIH-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651094 1007964164 /nfs/dbraw/zinc/96/41/64/1007964164.db2.gz NAKYGLPAMCYISE-PMACEKPBSA-N 2 2 419.635 3.815 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651094 1007964169 /nfs/dbraw/zinc/96/41/69/1007964169.db2.gz NAKYGLPAMCYISE-PMACEKPBSA-N 2 2 419.635 3.815 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672180 1007990553 /nfs/dbraw/zinc/99/05/53/1007990553.db2.gz HMOXLOOQJOHAPU-XUVXKRRUSA-N 2 2 421.655 3.881 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672180 1007990560 /nfs/dbraw/zinc/99/05/60/1007990560.db2.gz HMOXLOOQJOHAPU-XUVXKRRUSA-N 2 2 421.655 3.881 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683803 1008007777 /nfs/dbraw/zinc/00/77/77/1008007777.db2.gz VECUXIMKBVEIBF-TYCQWZJGSA-N 2 2 407.961 3.995 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683803 1008007782 /nfs/dbraw/zinc/00/77/82/1008007782.db2.gz VECUXIMKBVEIBF-TYCQWZJGSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683803 1008007789 /nfs/dbraw/zinc/00/77/89/1008007789.db2.gz VECUXIMKBVEIBF-TYCQWZJGSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683803 1008007794 /nfs/dbraw/zinc/00/77/94/1008007794.db2.gz VECUXIMKBVEIBF-TYCQWZJGSA-N 2 2 407.961 3.995 20 0 HHADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881103 1008158419 /nfs/dbraw/zinc/15/84/19/1008158419.db2.gz UNRBDOILUILGCV-UTKZUKDTSA-N 2 2 400.954 3.681 20 0 HHADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881103 1008158424 /nfs/dbraw/zinc/15/84/24/1008158424.db2.gz UNRBDOILUILGCV-UTKZUKDTSA-N 2 2 400.954 3.681 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000533958697 1008233718 /nfs/dbraw/zinc/23/37/18/1008233718.db2.gz SUZBUBNQEVQTQQ-LADGPHEKSA-N 2 2 421.589 3.775 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533958697 1008233720 /nfs/dbraw/zinc/23/37/20/1008233720.db2.gz SUZBUBNQEVQTQQ-LADGPHEKSA-N 2 2 421.589 3.775 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000518359302 1008276098 /nfs/dbraw/zinc/27/60/98/1008276098.db2.gz XKNNLGDGQDAEKG-QGZVFWFLSA-N 2 2 424.524 3.806 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190471 1008329128 /nfs/dbraw/zinc/32/91/28/1008329128.db2.gz YQVOHOMZXLFZDZ-OXQOHEQNSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190471 1008329132 /nfs/dbraw/zinc/32/91/32/1008329132.db2.gz YQVOHOMZXLFZDZ-OXQOHEQNSA-N 2 2 404.352 3.723 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000518532670 1008341330 /nfs/dbraw/zinc/34/13/30/1008341330.db2.gz HSYUPFVGPKLDQS-UHFFFAOYSA-N 2 2 413.541 3.999 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000540245776 1008351131 /nfs/dbraw/zinc/35/11/31/1008351131.db2.gz XWVNAIDWTCHQAR-CALCHBBNSA-N 2 2 422.520 3.522 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000540245776 1008351133 /nfs/dbraw/zinc/35/11/33/1008351133.db2.gz XWVNAIDWTCHQAR-CALCHBBNSA-N 2 2 422.520 3.522 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(OC(F)F)c1 ZINC000540322886 1008380060 /nfs/dbraw/zinc/38/00/60/1008380060.db2.gz ROCUBFUYAVMLEO-CYBMUJFWSA-N 2 2 410.490 3.630 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000549037326 1008605781 /nfs/dbraw/zinc/60/57/81/1008605781.db2.gz MMOJAMIEUQTMFE-FQEVSTJZSA-N 2 2 407.558 3.810 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000543038442 1008620489 /nfs/dbraw/zinc/62/04/89/1008620489.db2.gz DNCJYUOMYLZDHR-HSZRJFAPSA-N 2 2 411.594 3.950 20 0 HHADLP C[NH+](C)C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000549081514 1008645437 /nfs/dbraw/zinc/64/54/37/1008645437.db2.gz XPWLNWQDQFXGQH-NRFANRHFSA-N 2 2 411.937 3.687 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165470 1008738007 /nfs/dbraw/zinc/73/80/07/1008738007.db2.gz JNGUKFVZICEUNC-OFNKIYASSA-N 2 2 407.558 3.691 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165470 1008738015 /nfs/dbraw/zinc/73/80/15/1008738015.db2.gz JNGUKFVZICEUNC-OFNKIYASSA-N 2 2 407.558 3.691 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000543263197 1008835714 /nfs/dbraw/zinc/83/57/14/1008835714.db2.gz XMICLYLREKCPQA-FGZHOGPDSA-N 2 2 408.590 3.782 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044473 /nfs/dbraw/zinc/04/44/73/1009044473.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000543459924 1009044490 /nfs/dbraw/zinc/04/44/90/1009044490.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459924 1009044496 /nfs/dbraw/zinc/04/44/96/1009044496.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459924 1009044513 /nfs/dbraw/zinc/04/45/13/1009044513.db2.gz GXWPTFVXFJZKIL-MESAYYPLSA-N 4 2 404.687 3.862 20 0 HHADLP Cc1cccc(C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC(C)C)c1 ZINC000519907899 1009069496 /nfs/dbraw/zinc/06/94/96/1009069496.db2.gz PDMGFOGEMWBRDN-UHFFFAOYSA-N 2 2 423.601 3.602 20 0 HHADLP Cc1cccc(C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC(C)C)c1 ZINC000519907899 1009069514 /nfs/dbraw/zinc/06/95/14/1009069514.db2.gz PDMGFOGEMWBRDN-UHFFFAOYSA-N 2 2 423.601 3.602 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047708 1009071729 /nfs/dbraw/zinc/07/17/29/1009071729.db2.gz WCKAOYDRTAUPIP-OIBXWCBGSA-N 2 2 400.611 3.769 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047708 1009071746 /nfs/dbraw/zinc/07/17/46/1009071746.db2.gz WCKAOYDRTAUPIP-OIBXWCBGSA-N 2 2 400.611 3.769 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047709 1009072119 /nfs/dbraw/zinc/07/21/19/1009072119.db2.gz WCKAOYDRTAUPIP-PTUXOGIPSA-N 2 2 400.611 3.769 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047709 1009072141 /nfs/dbraw/zinc/07/21/41/1009072141.db2.gz WCKAOYDRTAUPIP-PTUXOGIPSA-N 2 2 400.611 3.769 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000519921200 1009078585 /nfs/dbraw/zinc/07/85/85/1009078585.db2.gz BQGMGDAKYPMDBV-QHCPKHFHSA-N 2 2 409.599 3.689 20 0 HHADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000543509327 1009098056 /nfs/dbraw/zinc/09/80/56/1009098056.db2.gz JSRXGNDKZJVZIV-GOSISDBHSA-N 2 2 421.010 3.883 20 0 HHADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000543509840 1009099683 /nfs/dbraw/zinc/09/96/83/1009099683.db2.gz XYJHVAXBDHZYCX-UHFFFAOYSA-N 2 2 422.598 3.774 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000543521503 1009112546 /nfs/dbraw/zinc/11/25/46/1009112546.db2.gz DUFZIODWGJUGCX-IBGZPJMESA-N 2 2 421.029 3.633 20 0 HHADLP Cc1ccc([C@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+](C)C)cc1 ZINC000543552777 1009156422 /nfs/dbraw/zinc/15/64/22/1009156422.db2.gz FKXRPKQPIKHCTH-QFIPXVFZSA-N 2 2 403.530 3.738 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC=C(c4cccc5ccccc54)C3)CC2)CC1 ZINC000543679305 1009290012 /nfs/dbraw/zinc/29/00/12/1009290012.db2.gz GOPOFSRGIUQYHS-UHFFFAOYSA-N 2 2 418.585 3.807 20 0 HHADLP COc1cc2c(c(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c1)O[C@H](C)C2 ZINC000520210994 1009345124 /nfs/dbraw/zinc/34/51/24/1009345124.db2.gz LSLPIWGRCVLZPU-OAQYLSRUSA-N 2 2 423.601 3.706 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000549919747 1009538236 /nfs/dbraw/zinc/53/82/36/1009538236.db2.gz DDVTZWFXQGNYLD-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000549945587 1009554093 /nfs/dbraw/zinc/55/40/93/1009554093.db2.gz PGYYQNPDVLIIGO-UHFFFAOYSA-N 2 2 417.557 3.917 20 0 HHADLP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000543990155 1009589620 /nfs/dbraw/zinc/58/96/20/1009589620.db2.gz RPOCJYFHVJGXDM-DEOSSOPVSA-N 2 2 410.562 3.651 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035232 1009635820 /nfs/dbraw/zinc/63/58/20/1009635820.db2.gz CDSBZAYKFOCNLH-DLBZAZTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035232 1009635832 /nfs/dbraw/zinc/63/58/32/1009635832.db2.gz CDSBZAYKFOCNLH-DLBZAZTESA-N 2 2 415.475 3.652 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(OC(F)(F)F)c1 ZINC000544172726 1009777768 /nfs/dbraw/zinc/77/77/68/1009777768.db2.gz AGLWSKGOGSYNFX-OAHLLOKOSA-N 2 2 411.449 3.773 20 0 HHADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000544256772 1009869398 /nfs/dbraw/zinc/86/93/98/1009869398.db2.gz CURMWWWZPCVWQP-WWNPGLIZSA-N 2 2 406.574 3.707 20 0 HHADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000544256772 1009869411 /nfs/dbraw/zinc/86/94/11/1009869411.db2.gz CURMWWWZPCVWQP-WWNPGLIZSA-N 2 2 406.574 3.707 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892056 1009947532 /nfs/dbraw/zinc/94/75/32/1009947532.db2.gz YEJXMEBUMUPVOB-AZUAARDMSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892056 1009947546 /nfs/dbraw/zinc/94/75/46/1009947546.db2.gz YEJXMEBUMUPVOB-AZUAARDMSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892056 1009947555 /nfs/dbraw/zinc/94/75/55/1009947555.db2.gz YEJXMEBUMUPVOB-AZUAARDMSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892056 1009947565 /nfs/dbraw/zinc/94/75/65/1009947565.db2.gz YEJXMEBUMUPVOB-AZUAARDMSA-N 2 2 417.594 3.697 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1nccs1 ZINC000544410986 1010029545 /nfs/dbraw/zinc/02/95/45/1010029545.db2.gz KPNPLTXPSCCVIK-WOJBJXKFSA-N 2 2 416.591 3.536 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000550622843 1010068987 /nfs/dbraw/zinc/06/89/87/1010068987.db2.gz YRUXLVNZCWQWHE-VXNXHJTFSA-N 2 2 407.558 3.521 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000550622843 1010069005 /nfs/dbraw/zinc/06/90/05/1010069005.db2.gz YRUXLVNZCWQWHE-VXNXHJTFSA-N 2 2 407.558 3.521 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000547317765 1010252352 /nfs/dbraw/zinc/25/23/52/1010252352.db2.gz YPGAGPPFYTUYHD-UHFFFAOYSA-N 2 2 412.416 3.696 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000547317765 1010252362 /nfs/dbraw/zinc/25/23/62/1010252362.db2.gz YPGAGPPFYTUYHD-UHFFFAOYSA-N 2 2 412.416 3.696 20 0 HHADLP COc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ccc1OC(F)F ZINC000521305216 1010292292 /nfs/dbraw/zinc/29/22/92/1010292292.db2.gz NGUASMIPTQUTAN-UHFFFAOYSA-N 2 2 419.516 3.546 20 0 HHADLP COc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ccc1OC(F)F ZINC000521305216 1010292302 /nfs/dbraw/zinc/29/23/02/1010292302.db2.gz NGUASMIPTQUTAN-UHFFFAOYSA-N 2 2 419.516 3.546 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155800 1010547984 /nfs/dbraw/zinc/54/79/84/1010547984.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155800 1010547991 /nfs/dbraw/zinc/54/79/91/1010547991.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155800 1010547999 /nfs/dbraw/zinc/54/79/99/1010547999.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155800 1010548005 /nfs/dbraw/zinc/54/80/05/1010548005.db2.gz FPTKCINGKTWORH-DRLORSAXSA-N 3 2 407.602 3.908 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000548169455 1010550809 /nfs/dbraw/zinc/55/08/09/1010550809.db2.gz AEZGJUYKXZDDOE-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000548169455 1010550814 /nfs/dbraw/zinc/55/08/14/1010550814.db2.gz AEZGJUYKXZDDOE-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000551441583 1010587994 /nfs/dbraw/zinc/58/79/94/1010587994.db2.gz COXAIWJORARRRB-QKNQBKEWSA-N 2 2 415.969 3.718 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000551441583 1010588001 /nfs/dbraw/zinc/58/80/01/1010588001.db2.gz COXAIWJORARRRB-QKNQBKEWSA-N 2 2 415.969 3.718 20 0 HHADLP Fc1cc(C[NH2+]Cc2cccc(I)c2)ccc1-n1cc[nH+]c1 ZINC000551534478 1010644156 /nfs/dbraw/zinc/64/41/56/1010644156.db2.gz MTBOYEUSKJBPPD-UHFFFAOYSA-N 2 2 407.230 3.906 20 0 HHADLP Cc1cc(Br)cn2cc(CCNC(=O)CC[N@@H+](C)C3CCCCC3)[nH+]c12 ZINC000548719902 1010713499 /nfs/dbraw/zinc/71/34/99/1010713499.db2.gz SXRHAQRHTCBYEL-UHFFFAOYSA-N 2 2 421.383 3.719 20 0 HHADLP Cc1cc(Br)cn2cc(CCNC(=O)CC[N@H+](C)C3CCCCC3)[nH+]c12 ZINC000548719902 1010713501 /nfs/dbraw/zinc/71/35/01/1010713501.db2.gz SXRHAQRHTCBYEL-UHFFFAOYSA-N 2 2 421.383 3.719 20 0 HHADLP Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000545381354 1010764580 /nfs/dbraw/zinc/76/45/80/1010764580.db2.gz ZBFSZJOCNMKLLA-UHFFFAOYSA-N 2 2 410.543 3.636 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000548931223 1010766258 /nfs/dbraw/zinc/76/62/58/1010766258.db2.gz JMZOYWNWAUJOBB-HXUWFJFHSA-N 2 2 410.949 3.738 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000548931223 1010766265 /nfs/dbraw/zinc/76/62/65/1010766265.db2.gz JMZOYWNWAUJOBB-HXUWFJFHSA-N 2 2 410.949 3.738 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522049192 1010778746 /nfs/dbraw/zinc/77/87/46/1010778746.db2.gz RADKTZUBPOTQIA-HXUWFJFHSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522049192 1010778753 /nfs/dbraw/zinc/77/87/53/1010778753.db2.gz RADKTZUBPOTQIA-HXUWFJFHSA-N 2 2 424.992 3.863 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062158 1010785200 /nfs/dbraw/zinc/78/52/00/1010785200.db2.gz GLZOFADVHUIGOY-OALUTQOASA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062158 1010785208 /nfs/dbraw/zinc/78/52/08/1010785208.db2.gz GLZOFADVHUIGOY-OALUTQOASA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522062158 1010785211 /nfs/dbraw/zinc/78/52/11/1010785211.db2.gz GLZOFADVHUIGOY-OALUTQOASA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522062158 1010785216 /nfs/dbraw/zinc/78/52/16/1010785216.db2.gz GLZOFADVHUIGOY-OALUTQOASA-N 2 2 422.564 3.883 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000522191824 1010858200 /nfs/dbraw/zinc/85/82/00/1010858200.db2.gz WOEARDYLDNCQSB-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000522191824 1010858207 /nfs/dbraw/zinc/85/82/07/1010858207.db2.gz WOEARDYLDNCQSB-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000522282454 1010904993 /nfs/dbraw/zinc/90/49/93/1010904993.db2.gz HCCPJTCFVTVMII-NQIIRXRSSA-N 2 2 415.607 3.614 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000522282842 1010905456 /nfs/dbraw/zinc/90/54/56/1010905456.db2.gz SJORFKTWNPEJPP-FQEVSTJZSA-N 2 2 409.578 3.512 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430958 1011005778 /nfs/dbraw/zinc/00/57/78/1011005778.db2.gz MUQBPJBHDCPNOT-XLIONFOSSA-N 2 2 407.493 3.646 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522430958 1011005786 /nfs/dbraw/zinc/00/57/86/1011005786.db2.gz MUQBPJBHDCPNOT-XLIONFOSSA-N 2 2 407.493 3.646 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000522471828 1011033302 /nfs/dbraw/zinc/03/33/02/1011033302.db2.gz MQLPLKKXRPGFIL-DEOSSOPVSA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000522471828 1011033305 /nfs/dbraw/zinc/03/33/05/1011033305.db2.gz MQLPLKKXRPGFIL-DEOSSOPVSA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000522471828 1011033310 /nfs/dbraw/zinc/03/33/10/1011033310.db2.gz MQLPLKKXRPGFIL-DEOSSOPVSA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000522471828 1011033314 /nfs/dbraw/zinc/03/33/14/1011033314.db2.gz MQLPLKKXRPGFIL-DEOSSOPVSA-N 2 2 423.626 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000522479982 1011037622 /nfs/dbraw/zinc/03/76/22/1011037622.db2.gz XOWUHFVFOQURMM-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000522561764 1011080886 /nfs/dbraw/zinc/08/08/86/1011080886.db2.gz YHFFJUYKMMYLMQ-RTWAWAEBSA-N 2 2 421.589 3.695 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000536130989 1011253386 /nfs/dbraw/zinc/25/33/86/1011253386.db2.gz BIOMNMXOEYKDDV-UHFFFAOYSA-N 2 2 401.938 3.543 20 0 HHADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540608327 1011261210 /nfs/dbraw/zinc/26/12/10/1011261210.db2.gz QPVUIUGWSJJDEI-RBBKRZOGSA-N 2 2 423.605 3.628 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536303530 1011494571 /nfs/dbraw/zinc/49/45/71/1011494571.db2.gz XPSKYMRGSJNKSQ-GOSISDBHSA-N 2 2 419.342 3.512 20 0 HHADLP Clc1ccc(C[C@]2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734198 1011895010 /nfs/dbraw/zinc/89/50/10/1011895010.db2.gz RLHYXSPQKCSPDU-DNQXCXABSA-N 2 2 414.977 3.922 20 0 HHADLP Clc1ccc(C[C@]2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734198 1011895042 /nfs/dbraw/zinc/89/50/42/1011895042.db2.gz RLHYXSPQKCSPDU-DNQXCXABSA-N 2 2 414.977 3.922 20 0 HHADLP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC1CCCC1 ZINC000552029149 1012055244 /nfs/dbraw/zinc/05/52/44/1012055244.db2.gz KNZPCRYMKSBECE-JOCHJYFZSA-N 2 2 410.558 3.525 20 0 HHADLP COc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC1CCCC1 ZINC000552029149 1012055267 /nfs/dbraw/zinc/05/52/67/1012055267.db2.gz KNZPCRYMKSBECE-JOCHJYFZSA-N 2 2 410.558 3.525 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000536835804 1012065659 /nfs/dbraw/zinc/06/56/59/1012065659.db2.gz NTURNNPSYSWKMR-OAQYLSRUSA-N 2 2 403.364 3.779 20 0 HHADLP C[C@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000536895548 1012148645 /nfs/dbraw/zinc/14/86/45/1012148645.db2.gz CCGIRCUNMNDPCI-IRXDYDNUSA-N 2 2 403.954 3.983 20 0 HHADLP C[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000523592018 1012149101 /nfs/dbraw/zinc/14/91/01/1012149101.db2.gz MNIGZIQATIAKHU-PMACEKPBSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000523592018 1012149109 /nfs/dbraw/zinc/14/91/09/1012149109.db2.gz MNIGZIQATIAKHU-PMACEKPBSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@@H](C)O1 ZINC000536933883 1012223281 /nfs/dbraw/zinc/22/32/81/1012223281.db2.gz QFTNCUPIMLXRLQ-QZTJIDSGSA-N 2 2 417.525 3.571 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942335 1012237026 /nfs/dbraw/zinc/23/70/26/1012237026.db2.gz GHRCHULRTJOZGB-FYQPLNBISA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942335 1012237046 /nfs/dbraw/zinc/23/70/46/1012237046.db2.gz GHRCHULRTJOZGB-FYQPLNBISA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942335 1012237067 /nfs/dbraw/zinc/23/70/67/1012237067.db2.gz GHRCHULRTJOZGB-FYQPLNBISA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942335 1012237081 /nfs/dbraw/zinc/23/70/81/1012237081.db2.gz GHRCHULRTJOZGB-FYQPLNBISA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541479341 1012251562 /nfs/dbraw/zinc/25/15/62/1012251562.db2.gz WEBVWIQQEDQWIM-OAHLLOKOSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541479341 1012251572 /nfs/dbraw/zinc/25/15/72/1012251572.db2.gz WEBVWIQQEDQWIM-OAHLLOKOSA-N 2 2 413.393 3.693 20 0 HHADLP C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523733762 1012352585 /nfs/dbraw/zinc/35/25/85/1012352585.db2.gz OSFZHJXBCUHCMA-FQEVSTJZSA-N 2 2 402.542 3.832 20 0 HHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599443 1012391648 /nfs/dbraw/zinc/39/16/48/1012391648.db2.gz MTQGBWULNGOIGY-GJZGRUSLSA-N 2 2 409.368 3.963 20 0 HHADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599443 1012391664 /nfs/dbraw/zinc/39/16/64/1012391664.db2.gz MTQGBWULNGOIGY-GJZGRUSLSA-N 2 2 409.368 3.963 20 0 HHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599444 1012391791 /nfs/dbraw/zinc/39/17/91/1012391791.db2.gz MTQGBWULNGOIGY-HUUCEWRRSA-N 2 2 409.368 3.963 20 0 HHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599444 1012391810 /nfs/dbraw/zinc/39/18/10/1012391810.db2.gz MTQGBWULNGOIGY-HUUCEWRRSA-N 2 2 409.368 3.963 20 0 HHADLP CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000537101725 1012466285 /nfs/dbraw/zinc/46/62/85/1012466285.db2.gz YZYSAPNYNBLHCG-GOSISDBHSA-N 2 2 413.587 3.920 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000523863943 1012561038 /nfs/dbraw/zinc/56/10/38/1012561038.db2.gz DHJISXPPSMFNPD-LJQANCHMSA-N 2 2 403.530 3.897 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000523905400 1012621094 /nfs/dbraw/zinc/62/10/94/1012621094.db2.gz OMHGMNYFCIMQMO-IBGZPJMESA-N 2 2 403.530 3.897 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccco1 ZINC000523906117 1012622448 /nfs/dbraw/zinc/62/24/48/1012622448.db2.gz CYXGBPDHQZIFDJ-FQEVSTJZSA-N 2 2 413.497 3.795 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226536 1012656826 /nfs/dbraw/zinc/65/68/26/1012656826.db2.gz ZQBQBXDNRZYQCM-DHIUTWEWSA-N 2 2 414.594 3.999 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226536 1012656835 /nfs/dbraw/zinc/65/68/35/1012656835.db2.gz ZQBQBXDNRZYQCM-DHIUTWEWSA-N 2 2 414.594 3.999 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537227668 1012659757 /nfs/dbraw/zinc/65/97/57/1012659757.db2.gz HCOHNZHOWUIPFX-QZTJIDSGSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537227668 1012659762 /nfs/dbraw/zinc/65/97/62/1012659762.db2.gz HCOHNZHOWUIPFX-QZTJIDSGSA-N 2 2 405.612 3.821 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000537246115 1012690483 /nfs/dbraw/zinc/69/04/83/1012690483.db2.gz AHUXLFJWKVMOOO-XMMPIXPASA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000537246115 1012690495 /nfs/dbraw/zinc/69/04/95/1012690495.db2.gz AHUXLFJWKVMOOO-XMMPIXPASA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000537246115 1012690506 /nfs/dbraw/zinc/69/05/06/1012690506.db2.gz AHUXLFJWKVMOOO-XMMPIXPASA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000537246115 1012690517 /nfs/dbraw/zinc/69/05/17/1012690517.db2.gz AHUXLFJWKVMOOO-XMMPIXPASA-N 2 2 408.590 3.595 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042801 1012945832 /nfs/dbraw/zinc/94/58/32/1012945832.db2.gz MBBMXUQKPFBEGV-VMBSDNPXSA-N 2 2 424.511 3.554 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042801 1012945844 /nfs/dbraw/zinc/94/58/44/1012945844.db2.gz MBBMXUQKPFBEGV-VMBSDNPXSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042801 1012945856 /nfs/dbraw/zinc/94/58/56/1012945856.db2.gz MBBMXUQKPFBEGV-VMBSDNPXSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042801 1012945863 /nfs/dbraw/zinc/94/58/63/1012945863.db2.gz MBBMXUQKPFBEGV-VMBSDNPXSA-N 2 2 424.511 3.554 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000553007826 1012980452 /nfs/dbraw/zinc/98/04/52/1012980452.db2.gz WPHGYSDVQVNSGW-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000553007826 1012980467 /nfs/dbraw/zinc/98/04/67/1012980467.db2.gz WPHGYSDVQVNSGW-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP CCN1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542064680 1012984921 /nfs/dbraw/zinc/98/49/21/1012984921.db2.gz VVMHYTMFBWIDRK-UGKGYDQZSA-N 2 2 404.480 3.893 20 0 HHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001687423912 1071968949 /nfs/dbraw/zinc/96/89/49/1071968949.db2.gz IXKWAGLWGOHSQY-QHCPKHFHSA-N 2 2 403.530 3.542 20 0 HHADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001687423912 1071968952 /nfs/dbraw/zinc/96/89/52/1071968952.db2.gz IXKWAGLWGOHSQY-QHCPKHFHSA-N 2 2 403.530 3.542 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)C[C@H](C)O1 ZINC000488241396 1072156988 /nfs/dbraw/zinc/15/69/88/1072156988.db2.gz DVRRIURIHORECJ-HDICACEKSA-N 2 2 416.541 3.511 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)C[C@H](C)O1 ZINC000488241396 1072156991 /nfs/dbraw/zinc/15/69/91/1072156991.db2.gz DVRRIURIHORECJ-HDICACEKSA-N 2 2 416.541 3.511 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053917 1072228368 /nfs/dbraw/zinc/22/83/68/1072228368.db2.gz QAJXOGRIMRXDFF-DHIUTWEWSA-N 2 2 409.599 3.509 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127053917 1072228377 /nfs/dbraw/zinc/22/83/77/1072228377.db2.gz QAJXOGRIMRXDFF-DHIUTWEWSA-N 2 2 409.599 3.509 20 0 HHADLP CN1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571484921 1072634074 /nfs/dbraw/zinc/63/40/74/1072634074.db2.gz GYDJJIMWDZIJSZ-ZEQRLZLVSA-N 2 2 414.544 3.512 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675779 1072752623 /nfs/dbraw/zinc/75/26/23/1072752623.db2.gz HDTARIKTEMAXEO-WIYYLYMNSA-N 2 2 402.583 3.529 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675779 1072752631 /nfs/dbraw/zinc/75/26/31/1072752631.db2.gz HDTARIKTEMAXEO-WIYYLYMNSA-N 2 2 402.583 3.529 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852181 1072901708 /nfs/dbraw/zinc/90/17/08/1072901708.db2.gz UDJUPOBWKLXZFC-ICSRJNTNSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852181 1072901715 /nfs/dbraw/zinc/90/17/15/1072901715.db2.gz UDJUPOBWKLXZFC-ICSRJNTNSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852181 1072901718 /nfs/dbraw/zinc/90/17/18/1072901718.db2.gz UDJUPOBWKLXZFC-ICSRJNTNSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852181 1072901723 /nfs/dbraw/zinc/90/17/23/1072901723.db2.gz UDJUPOBWKLXZFC-ICSRJNTNSA-N 2 2 417.594 3.996 20 0 HHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)COc1ccc(Oc2ccccc2)cc1 ZINC000554863751 1072922271 /nfs/dbraw/zinc/92/22/71/1072922271.db2.gz WQANTXDXYCPCKG-NRFANRHFSA-N 2 2 419.525 3.872 20 0 HHADLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000588686813 1073137159 /nfs/dbraw/zinc/13/71/59/1073137159.db2.gz CIFZOBKDCHLCON-QFIPXVFZSA-N 2 2 400.526 4.141 20 0 HHADLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000588686813 1073137164 /nfs/dbraw/zinc/13/71/64/1073137164.db2.gz CIFZOBKDCHLCON-QFIPXVFZSA-N 2 2 400.526 4.141 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709821 1073156025 /nfs/dbraw/zinc/15/60/25/1073156025.db2.gz DTPAEMDXFTVWEY-XHSDSOJGSA-N 2 2 411.949 3.627 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709821 1073156037 /nfs/dbraw/zinc/15/60/37/1073156037.db2.gz DTPAEMDXFTVWEY-XHSDSOJGSA-N 2 2 411.949 3.627 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249914 1073279183 /nfs/dbraw/zinc/27/91/83/1073279183.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249914 1073279187 /nfs/dbraw/zinc/27/91/87/1073279187.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H](N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249914 1073279192 /nfs/dbraw/zinc/27/91/92/1073279192.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 2 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H](N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249914 1073279196 /nfs/dbraw/zinc/27/91/96/1073279196.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 2 2 406.618 3.618 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008234 1073447208 /nfs/dbraw/zinc/44/72/08/1073447208.db2.gz UZOXFIIKWPJPNN-ROKPMTFOSA-N 2 2 409.574 3.605 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008234 1073447214 /nfs/dbraw/zinc/44/72/14/1073447214.db2.gz UZOXFIIKWPJPNN-ROKPMTFOSA-N 2 2 409.574 3.605 20 0 HHADLP CC[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008234 1073447221 /nfs/dbraw/zinc/44/72/21/1073447221.db2.gz UZOXFIIKWPJPNN-ROKPMTFOSA-N 2 2 409.574 3.605 20 0 HHADLP CC[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000590008234 1073447229 /nfs/dbraw/zinc/44/72/29/1073447229.db2.gz UZOXFIIKWPJPNN-ROKPMTFOSA-N 2 2 409.574 3.605 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)CCCc3ccccc3)n2)CC1 ZINC000555463101 1073510580 /nfs/dbraw/zinc/51/05/80/1073510580.db2.gz XXMMMOBBVSWUHC-UHFFFAOYSA-N 2 2 400.592 3.878 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)CCCc3ccccc3)n2)CC1 ZINC000555463101 1073510593 /nfs/dbraw/zinc/51/05/93/1073510593.db2.gz XXMMMOBBVSWUHC-UHFFFAOYSA-N 2 2 400.592 3.878 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156894 1073599464 /nfs/dbraw/zinc/59/94/64/1073599464.db2.gz FVXOGLXEEMIMGI-KNKQGSTJSA-N 2 2 409.578 3.977 20 0 HHADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555611791 1073675406 /nfs/dbraw/zinc/67/54/06/1073675406.db2.gz CCPMEUPWIROAJX-HSZRJFAPSA-N 2 2 416.569 3.891 20 0 HHADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555611791 1073675411 /nfs/dbraw/zinc/67/54/11/1073675411.db2.gz CCPMEUPWIROAJX-HSZRJFAPSA-N 2 2 416.569 3.891 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851629 1074018116 /nfs/dbraw/zinc/01/81/16/1074018116.db2.gz WHWDDOLABORQPK-FXAWDEMLSA-N 2 2 401.942 3.720 20 0 HHADLP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000573332516 1074360586 /nfs/dbraw/zinc/36/05/86/1074360586.db2.gz GSXFBNOPMQGDQE-MRXNPFEDSA-N 2 2 401.580 3.622 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522160 1074361989 /nfs/dbraw/zinc/36/19/89/1074361989.db2.gz AJUVPSBVYOXVCH-AQNXPRMDSA-N 2 2 416.610 3.958 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000591523833 1074365223 /nfs/dbraw/zinc/36/52/23/1074365223.db2.gz NDOJQZBKTKYWPL-FQEVSTJZSA-N 2 2 410.562 3.676 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591524548 1074366895 /nfs/dbraw/zinc/36/68/95/1074366895.db2.gz WJZPVRVIQRVFCX-NRFANRHFSA-N 2 2 422.573 3.738 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000592818021 1075121871 /nfs/dbraw/zinc/12/18/71/1075121871.db2.gz UEQCCZVJKRWXCE-KRWDZBQOSA-N 2 2 400.592 3.665 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000592818021 1075121876 /nfs/dbraw/zinc/12/18/76/1075121876.db2.gz UEQCCZVJKRWXCE-KRWDZBQOSA-N 2 2 400.592 3.665 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574963058 1075433772 /nfs/dbraw/zinc/43/37/72/1075433772.db2.gz YZXLFBSOGAOVOS-QPPBQGQZSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574963058 1075433776 /nfs/dbraw/zinc/43/37/76/1075433776.db2.gz YZXLFBSOGAOVOS-QPPBQGQZSA-N 2 2 420.601 3.673 20 0 HHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)o1 ZINC000575027697 1075445482 /nfs/dbraw/zinc/44/54/82/1075445482.db2.gz HIFWPKIEWIRDGT-UHFFFAOYSA-N 2 2 402.292 3.876 20 0 HHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)o1 ZINC000575027697 1075445485 /nfs/dbraw/zinc/44/54/85/1075445485.db2.gz HIFWPKIEWIRDGT-UHFFFAOYSA-N 2 2 402.292 3.876 20 0 HHADLP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000596414514 1075558783 /nfs/dbraw/zinc/55/87/83/1075558783.db2.gz OXNNHOGERCEPMX-UHFFFAOYSA-N 2 2 413.393 3.743 20 0 HHADLP CN(C(=O)c1ccc(COc2ccccc2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474448 1075618290 /nfs/dbraw/zinc/61/82/90/1075618290.db2.gz PGPNLPRGQKEDHE-QHCPKHFHSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)c1ccc(COc2ccccc2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474448 1075618293 /nfs/dbraw/zinc/61/82/93/1075618293.db2.gz PGPNLPRGQKEDHE-QHCPKHFHSA-N 2 2 407.558 3.506 20 0 HHADLP CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475133 1075619260 /nfs/dbraw/zinc/61/92/60/1075619260.db2.gz UXEOHJXVVWWBNS-OAHLLOKOSA-N 2 2 409.361 3.715 20 0 HHADLP CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475133 1075619263 /nfs/dbraw/zinc/61/92/63/1075619263.db2.gz UXEOHJXVVWWBNS-OAHLLOKOSA-N 2 2 409.361 3.715 20 0 HHADLP CN(C(=O)Cc1coc2ccc3ccccc3c12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476944 1075619969 /nfs/dbraw/zinc/61/99/69/1075619969.db2.gz DAFFUJVQNXGNCI-NRFANRHFSA-N 2 2 405.542 3.755 20 0 HHADLP CN(C(=O)Cc1coc2ccc3ccccc3c12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476944 1075619973 /nfs/dbraw/zinc/61/99/73/1075619973.db2.gz DAFFUJVQNXGNCI-NRFANRHFSA-N 2 2 405.542 3.755 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479436 1075621047 /nfs/dbraw/zinc/62/10/47/1075621047.db2.gz MOKYKFIUHHPGQN-BZSNNMDCSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479436 1075621050 /nfs/dbraw/zinc/62/10/50/1075621050.db2.gz MOKYKFIUHHPGQN-BZSNNMDCSA-N 2 2 410.389 3.724 20 0 HHADLP Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478578 1075621577 /nfs/dbraw/zinc/62/15/77/1075621577.db2.gz OFNHYESCXYUAOK-QGZVFWFLSA-N 2 2 416.953 3.544 20 0 HHADLP Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478578 1075621578 /nfs/dbraw/zinc/62/15/78/1075621578.db2.gz OFNHYESCXYUAOK-QGZVFWFLSA-N 2 2 416.953 3.544 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000597203238 1075633676 /nfs/dbraw/zinc/63/36/76/1075633676.db2.gz SFTPMBJXQYOGPS-JOCHJYFZSA-N 2 2 413.610 3.916 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000597203238 1075633683 /nfs/dbraw/zinc/63/36/83/1075633683.db2.gz SFTPMBJXQYOGPS-JOCHJYFZSA-N 2 2 413.610 3.916 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628440 719110012 /nfs/dbraw/zinc/11/00/12/719110012.db2.gz MVOXFYPACPWBOG-URXFXBBRSA-N 3 2 406.574 3.655 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628440 719110014 /nfs/dbraw/zinc/11/00/14/719110014.db2.gz MVOXFYPACPWBOG-URXFXBBRSA-N 3 2 406.574 3.655 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC001164778853 721336650 /nfs/dbraw/zinc/33/66/50/721336650.db2.gz ZIAXTBAQXPUJMB-XMMPIXPASA-N 2 2 406.530 3.959 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC001164778853 721336654 /nfs/dbraw/zinc/33/66/54/721336654.db2.gz ZIAXTBAQXPUJMB-XMMPIXPASA-N 2 2 406.530 3.959 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791950 721494693 /nfs/dbraw/zinc/49/46/93/721494693.db2.gz GIKOGLFJBRRJCE-UHFFFAOYSA-N 2 2 408.546 3.761 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791950 721494694 /nfs/dbraw/zinc/49/46/94/721494694.db2.gz GIKOGLFJBRRJCE-UHFFFAOYSA-N 2 2 408.546 3.761 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc[nH+]2)C1 ZINC001165026336 721827552 /nfs/dbraw/zinc/82/75/52/721827552.db2.gz OVLIMHOKNMGNKK-VAPSRWTKSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc[nH+]2)C1 ZINC001165026336 721827553 /nfs/dbraw/zinc/82/75/53/721827553.db2.gz OVLIMHOKNMGNKK-VAPSRWTKSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cn2)C1 ZINC001165026336 721827554 /nfs/dbraw/zinc/82/75/54/721827554.db2.gz OVLIMHOKNMGNKK-VAPSRWTKSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cn2)C1 ZINC001165026336 721827556 /nfs/dbraw/zinc/82/75/56/721827556.db2.gz OVLIMHOKNMGNKK-VAPSRWTKSA-N 2 2 420.605 3.845 20 0 HHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(NC(C)C)c(C)c[nH+]2)CC1 ZINC001165018331 721837672 /nfs/dbraw/zinc/83/76/72/721837672.db2.gz XIDXWMQDEODUOH-UHFFFAOYSA-N 2 2 413.566 3.723 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1 ZINC001164979885 722128958 /nfs/dbraw/zinc/12/89/58/722128958.db2.gz QYSKEZPLNHIKFL-GBXCKJPGSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1 ZINC001164979885 722128960 /nfs/dbraw/zinc/12/89/60/722128960.db2.gz QYSKEZPLNHIKFL-GBXCKJPGSA-N 2 2 418.541 3.674 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000301245435 970829656 /nfs/dbraw/zinc/82/96/56/970829656.db2.gz PVAYKCHGFGAEIO-HXUWFJFHSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)[nH+]cn2)C1 ZINC000301245435 970829662 /nfs/dbraw/zinc/82/96/62/970829662.db2.gz PVAYKCHGFGAEIO-HXUWFJFHSA-N 2 2 409.578 3.673 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNc3[nH+]cnc4c3cnn4C(C)(C)C)CC2)cc1 ZINC000301856289 971087163 /nfs/dbraw/zinc/08/71/63/971087163.db2.gz CECMLIXWRDPFBW-UHFFFAOYSA-N 2 2 408.550 3.914 20 0 HHADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132059 1013063450 /nfs/dbraw/zinc/06/34/50/1013063450.db2.gz HLQTZDKPHWCJOT-LJQANCHMSA-N 2 2 423.561 3.529 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000303642021 971921484 /nfs/dbraw/zinc/92/14/84/971921484.db2.gz IFOYFIVNIREQPW-LJQANCHMSA-N 2 2 407.562 3.707 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000303638704 971917944 /nfs/dbraw/zinc/91/79/44/971917944.db2.gz QIZKBFONEHWKQQ-HXUWFJFHSA-N 2 2 409.578 3.510 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000303638704 971917950 /nfs/dbraw/zinc/91/79/50/971917950.db2.gz QIZKBFONEHWKQQ-HXUWFJFHSA-N 2 2 409.578 3.510 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178238 1013116872 /nfs/dbraw/zinc/11/68/72/1013116872.db2.gz ADQUOJGLKZNKMS-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178238 1013116876 /nfs/dbraw/zinc/11/68/76/1013116876.db2.gz ADQUOJGLKZNKMS-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000303791447 972030236 /nfs/dbraw/zinc/03/02/36/972030236.db2.gz UYHBSPZTWCKGBN-UWJYYQICSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000303791447 972030243 /nfs/dbraw/zinc/03/02/43/972030243.db2.gz UYHBSPZTWCKGBN-UWJYYQICSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791447 972030246 /nfs/dbraw/zinc/03/02/46/972030246.db2.gz UYHBSPZTWCKGBN-UWJYYQICSA-N 2 2 410.949 3.833 20 0 HHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1Cc1ccccc1 ZINC000303791447 972030253 /nfs/dbraw/zinc/03/02/53/972030253.db2.gz UYHBSPZTWCKGBN-UWJYYQICSA-N 2 2 410.949 3.833 20 0 HHADLP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000303844013 972381641 /nfs/dbraw/zinc/38/16/41/972381641.db2.gz QSJMHQLPCFDEFS-HMFYCAOWSA-N 2 2 404.599 3.784 20 0 HHADLP Cc1cc(OCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1Cl ZINC000303941706 972522899 /nfs/dbraw/zinc/52/28/99/972522899.db2.gz FJGRZMPQRNYBLO-UHFFFAOYSA-N 2 2 422.013 3.874 20 0 HHADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000537659838 1013220002 /nfs/dbraw/zinc/22/00/02/1013220002.db2.gz OOGHSYWJZIJJEL-GOSISDBHSA-N 2 2 412.441 3.771 20 0 HHADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000537659838 1013220006 /nfs/dbraw/zinc/22/00/06/1013220006.db2.gz OOGHSYWJZIJJEL-GOSISDBHSA-N 2 2 412.441 3.771 20 0 HHADLP CN1C(=O)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542307565 1013264442 /nfs/dbraw/zinc/26/44/42/1013264442.db2.gz UBCSRKXKDARLOJ-MJGOQNOKSA-N 2 2 404.898 3.788 20 0 HHADLP COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000009903075 961709361 /nfs/dbraw/zinc/70/93/61/961709361.db2.gz OOTLYNVBSDOQAE-HYBUGGRVSA-N 2 2 407.558 3.738 20 0 HHADLP COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000009903075 961709375 /nfs/dbraw/zinc/70/93/75/961709375.db2.gz OOTLYNVBSDOQAE-HYBUGGRVSA-N 2 2 407.558 3.738 20 0 HHADLP CCCc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000542365039 1013321021 /nfs/dbraw/zinc/32/10/21/1013321021.db2.gz GAVQKNPYEZDRIW-UHFFFAOYSA-N 2 2 423.605 3.505 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1)CC1CC1 ZINC000537805751 1013366802 /nfs/dbraw/zinc/36/68/02/1013366802.db2.gz LSHZGDOERSVKMW-UHFFFAOYSA-N 2 2 409.578 3.916 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1)CC1CC1 ZINC000537805751 1013366816 /nfs/dbraw/zinc/36/68/16/1013366816.db2.gz LSHZGDOERSVKMW-UHFFFAOYSA-N 2 2 409.578 3.916 20 0 HHADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542446449 1013396159 /nfs/dbraw/zinc/39/61/59/1013396159.db2.gz QBGQXTXFHBYBIT-OAQYLSRUSA-N 2 2 421.589 3.669 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000542508253 1013452280 /nfs/dbraw/zinc/45/22/80/1013452280.db2.gz CTPJTCCTULRSFA-HSZRJFAPSA-N 2 2 424.570 3.548 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC000024250883 963967726 /nfs/dbraw/zinc/96/77/26/963967726.db2.gz GBPHNYHZRHMOIE-KRWDZBQOSA-N 2 2 416.516 3.738 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC000024250883 963967731 /nfs/dbraw/zinc/96/77/31/963967731.db2.gz GBPHNYHZRHMOIE-KRWDZBQOSA-N 2 2 416.516 3.738 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000024254929 963968692 /nfs/dbraw/zinc/96/86/92/963968692.db2.gz ZQCYLTVGWVADOO-NRFANRHFSA-N 2 2 401.938 3.852 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529993 1013473090 /nfs/dbraw/zinc/47/30/90/1013473090.db2.gz BCAXDPBEPUYYRO-DOTOQJQBSA-N 2 2 421.607 3.723 20 0 HHADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529993 1013473097 /nfs/dbraw/zinc/47/30/97/1013473097.db2.gz BCAXDPBEPUYYRO-DOTOQJQBSA-N 2 2 421.607 3.723 20 0 HHADLP O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000050273818 964299452 /nfs/dbraw/zinc/29/94/52/964299452.db2.gz RHAMKFUEZBUESG-HSZRJFAPSA-N 2 2 413.949 3.852 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)CC1 ZINC000050797223 964400099 /nfs/dbraw/zinc/40/00/99/964400099.db2.gz RPNPEOOEXHXZMH-UHFFFAOYSA-N 2 2 406.983 3.685 20 0 HHADLP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](C(C)C)[NH+]3CCOCC3)c2c1C ZINC000026143697 964465454 /nfs/dbraw/zinc/46/54/54/964465454.db2.gz IPTHYYRSXPIECP-SFHVURJKSA-N 2 2 417.623 3.673 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc2)CC1 ZINC000537915537 1013500497 /nfs/dbraw/zinc/50/04/97/1013500497.db2.gz CFODFRTZDXZSDJ-UHFFFAOYSA-N 2 2 421.589 3.534 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1C ZINC000051756004 964687578 /nfs/dbraw/zinc/68/75/78/964687578.db2.gz FKYOTKSZUKEAGN-UHFFFAOYSA-N 2 2 404.942 3.634 20 0 HHADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959705 964750541 /nfs/dbraw/zinc/75/05/41/964750541.db2.gz TZBFNOIHXXOLTF-UHFFFAOYSA-N 2 2 401.595 3.916 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000537948349 1013530784 /nfs/dbraw/zinc/53/07/84/1013530784.db2.gz IVLAESHISQMSQD-QZTJIDSGSA-N 2 2 416.591 3.719 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cn2cc(Br)cn2)c(C)c1 ZINC000537951920 1013532713 /nfs/dbraw/zinc/53/27/13/1013532713.db2.gz JIMSZXKQCWMRRG-APWZRJJASA-N 2 2 402.340 3.879 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000052928065 965022998 /nfs/dbraw/zinc/02/29/98/965022998.db2.gz VZKZWBBQXUAGDB-NRFANRHFSA-N 2 2 401.576 3.532 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000052928065 965023012 /nfs/dbraw/zinc/02/30/12/965023012.db2.gz VZKZWBBQXUAGDB-NRFANRHFSA-N 2 2 401.576 3.532 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651232 1013581692 /nfs/dbraw/zinc/58/16/92/1013581692.db2.gz OWVVCUAIGCZULQ-FYYLOGMGSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651232 1013581697 /nfs/dbraw/zinc/58/16/97/1013581697.db2.gz OWVVCUAIGCZULQ-FYYLOGMGSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)c2)cc[nH+]1 ZINC000542655581 1013584055 /nfs/dbraw/zinc/58/40/55/1013584055.db2.gz NZURBKUNOAIBNZ-UHFFFAOYSA-N 2 2 407.562 3.782 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054725767 965622789 /nfs/dbraw/zinc/62/27/89/965622789.db2.gz QSDDECSETKMETD-BGYRXZFFSA-N 2 2 411.594 3.530 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054725767 965622800 /nfs/dbraw/zinc/62/28/00/965622800.db2.gz QSDDECSETKMETD-BGYRXZFFSA-N 2 2 411.594 3.530 20 0 HHADLP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030913867 965831286 /nfs/dbraw/zinc/83/12/86/965831286.db2.gz FEZNRJUAIGCCMB-UHFFFAOYSA-N 2 2 423.992 3.994 20 0 HHADLP CC(C)c1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030959356 965841417 /nfs/dbraw/zinc/84/14/17/965841417.db2.gz ACWIAWBYBPFVNK-OAQYLSRUSA-N 2 2 423.601 3.779 20 0 HHADLP CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030959356 965841426 /nfs/dbraw/zinc/84/14/26/965841426.db2.gz ACWIAWBYBPFVNK-OAQYLSRUSA-N 2 2 423.601 3.779 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccsc1 ZINC000056399613 966326082 /nfs/dbraw/zinc/32/60/82/966326082.db2.gz PFVMPOUGNFSIGN-LJQANCHMSA-N 2 2 412.563 3.520 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000553882065 1013674594 /nfs/dbraw/zinc/67/45/94/1013674594.db2.gz QHBIFZSWVRJTIR-PKTZIBPZSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000553882065 1013674597 /nfs/dbraw/zinc/67/45/97/1013674597.db2.gz QHBIFZSWVRJTIR-PKTZIBPZSA-N 2 2 408.590 3.637 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccsc1 ZINC000042346346 966783149 /nfs/dbraw/zinc/78/31/49/966783149.db2.gz XBBQRQRZLHNNTR-IBGZPJMESA-N 2 2 401.580 3.626 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000538117224 1013678114 /nfs/dbraw/zinc/67/81/14/1013678114.db2.gz CPZMCSLEFXYCME-SFTDATJTSA-N 2 2 412.578 3.964 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000538117224 1013678116 /nfs/dbraw/zinc/67/81/16/1013678116.db2.gz CPZMCSLEFXYCME-SFTDATJTSA-N 2 2 412.578 3.964 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000042813048 966851705 /nfs/dbraw/zinc/85/17/05/966851705.db2.gz DWZTWBIDHUXNTB-HSZRJFAPSA-N 2 2 403.530 3.568 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043230970 966932392 /nfs/dbraw/zinc/93/23/92/966932392.db2.gz VNGPUSLVXSOUBA-HXUWFJFHSA-N 2 2 409.559 3.629 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908968 1013693525 /nfs/dbraw/zinc/69/35/25/1013693525.db2.gz CLGYBUUYCHSWRO-XMSQKQJNSA-N 2 2 410.587 3.652 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908968 1013693533 /nfs/dbraw/zinc/69/35/33/1013693533.db2.gz CLGYBUUYCHSWRO-XMSQKQJNSA-N 2 2 410.587 3.652 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837519 1013699753 /nfs/dbraw/zinc/69/97/53/1013699753.db2.gz OEIOGZHFWKXFBD-PMACEKPBSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837519 1013699760 /nfs/dbraw/zinc/69/97/60/1013699760.db2.gz OEIOGZHFWKXFBD-PMACEKPBSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837520 1013699973 /nfs/dbraw/zinc/69/99/73/1013699973.db2.gz OEIOGZHFWKXFBD-UXHICEINSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837520 1013699978 /nfs/dbraw/zinc/69/99/78/1013699978.db2.gz OEIOGZHFWKXFBD-UXHICEINSA-N 2 2 416.566 3.525 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000044837214 967299778 /nfs/dbraw/zinc/29/97/78/967299778.db2.gz KUOXTMVIHLMPLW-QHCPKHFHSA-N 2 2 404.514 3.507 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000045056629 967342986 /nfs/dbraw/zinc/34/29/86/967342986.db2.gz RNJVWTWMUKVJCZ-QHCPKHFHSA-N 2 2 406.530 3.753 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000046252022 967712269 /nfs/dbraw/zinc/71/22/69/967712269.db2.gz YGYJLUOUDRULND-NRFANRHFSA-N 2 2 411.575 3.875 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC000046346801 967756192 /nfs/dbraw/zinc/75/61/92/967756192.db2.gz UPNBDBJBPNSPRT-FVJLSDCUSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC000046346801 967756200 /nfs/dbraw/zinc/75/62/00/967756200.db2.gz UPNBDBJBPNSPRT-FVJLSDCUSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000047304165 968131988 /nfs/dbraw/zinc/13/19/88/968131988.db2.gz TXSRYUPYHRNFED-GOSISDBHSA-N 2 2 412.603 4.226 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000047304165 968131994 /nfs/dbraw/zinc/13/19/94/968131994.db2.gz TXSRYUPYHRNFED-GOSISDBHSA-N 2 2 412.603 4.226 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047951168 968376437 /nfs/dbraw/zinc/37/64/37/968376437.db2.gz MOYXPQDWAOMCCB-HXUWFJFHSA-N 2 2 409.559 3.629 20 0 HHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000538256567 1013798298 /nfs/dbraw/zinc/79/82/98/1013798298.db2.gz QPWWFCFRRQYARW-LJQANCHMSA-N 2 2 413.537 3.528 20 0 HHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000538256567 1013798303 /nfs/dbraw/zinc/79/83/03/1013798303.db2.gz QPWWFCFRRQYARW-LJQANCHMSA-N 2 2 413.537 3.528 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048216175 968487935 /nfs/dbraw/zinc/48/79/35/968487935.db2.gz NWTQKSMGVUPNGX-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP C[NH+](C)C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1 ZINC000554108991 1013801108 /nfs/dbraw/zinc/80/11/08/1013801108.db2.gz KHWZRHUJLKEDHX-SFHVURJKSA-N 2 2 405.543 3.693 20 0 HHADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1 ZINC000071956797 968908716 /nfs/dbraw/zinc/90/87/16/968908716.db2.gz PMMMFXDLJZQMGM-UHFFFAOYSA-N 2 2 400.954 3.684 20 0 HHADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1 ZINC000071956797 968908725 /nfs/dbraw/zinc/90/87/25/968908725.db2.gz PMMMFXDLJZQMGM-UHFFFAOYSA-N 2 2 400.954 3.684 20 0 HHADLP C[C@@H]1C[C@H]1[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000538320646 1013847591 /nfs/dbraw/zinc/84/75/91/1013847591.db2.gz MHXUZBCFZYRYAL-HCLVMJGWSA-N 2 2 412.965 3.761 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000107938650 969346851 /nfs/dbraw/zinc/34/68/51/969346851.db2.gz GSBMRFKELODWHX-BGYRXZFFSA-N 2 2 401.599 3.629 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000107938650 969346855 /nfs/dbraw/zinc/34/68/55/969346855.db2.gz GSBMRFKELODWHX-BGYRXZFFSA-N 2 2 401.599 3.629 20 0 HHADLP C[C@H]1C[C@H]1c1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981669 970058369 /nfs/dbraw/zinc/05/83/69/970058369.db2.gz AHQZREIXIIZHPG-HTAPYJJXSA-N 2 2 414.594 3.636 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)CC1 ZINC000215978999 970058460 /nfs/dbraw/zinc/05/84/60/970058460.db2.gz KANWBHRJORVYAR-UHFFFAOYSA-N 2 2 416.900 3.622 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236717103 970161432 /nfs/dbraw/zinc/16/14/32/970161432.db2.gz LHGJLPLSJCUBBZ-NRFANRHFSA-N 2 2 410.587 3.783 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000237178615 970236704 /nfs/dbraw/zinc/23/67/04/970236704.db2.gz HUPXJPYOPDXWEO-UHFFFAOYSA-N 3 2 422.617 3.986 20 0 HHADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1cccs1 ZINC000237227382 970244936 /nfs/dbraw/zinc/24/49/36/970244936.db2.gz JBUJMFCPXJKLOA-LJQANCHMSA-N 2 2 404.576 3.518 20 0 HHADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000237257619 970249146 /nfs/dbraw/zinc/24/91/46/970249146.db2.gz UPAWIRFZLQYFMK-NSHDSACASA-N 2 2 404.255 3.682 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000237693432 970340343 /nfs/dbraw/zinc/34/03/43/970340343.db2.gz FVROBZWFXXRAKJ-UHFFFAOYSA-N 2 2 422.356 3.944 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237976419 970409498 /nfs/dbraw/zinc/40/94/98/970409498.db2.gz BTGBPLUFMYZMJR-GOTSBHOMSA-N 2 2 417.578 3.678 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237976419 970409501 /nfs/dbraw/zinc/40/95/01/970409501.db2.gz BTGBPLUFMYZMJR-GOTSBHOMSA-N 2 2 417.578 3.678 20 0 HHADLP O=C(NCc1ccco1)c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000238042011 970424289 /nfs/dbraw/zinc/42/42/89/970424289.db2.gz RZWWLFUWXAYRAR-UHFFFAOYSA-N 2 2 403.526 3.964 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150149896 970429313 /nfs/dbraw/zinc/42/93/13/970429313.db2.gz GUYBBQUNMNTZCF-UHFFFAOYSA-N 2 2 417.557 3.643 20 0 HHADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000261444661 970686975 /nfs/dbraw/zinc/68/69/75/970686975.db2.gz RYGLGWFRXYUPMG-IBGZPJMESA-N 2 2 410.965 3.599 20 0 HHADLP CC[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000554820392 1014059065 /nfs/dbraw/zinc/05/90/65/1014059065.db2.gz LSUSAMQUXUUAQF-JOCHJYFZSA-N 2 2 406.574 3.782 20 0 HHADLP CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000554820392 1014059080 /nfs/dbraw/zinc/05/90/80/1014059080.db2.gz LSUSAMQUXUUAQF-JOCHJYFZSA-N 2 2 406.574 3.782 20 0 HHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390847046 972832894 /nfs/dbraw/zinc/83/28/94/972832894.db2.gz FWYXDLKWDXCQCS-LJQANCHMSA-N 2 2 419.363 3.838 20 0 HHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390847046 972832905 /nfs/dbraw/zinc/83/29/05/972832905.db2.gz FWYXDLKWDXCQCS-LJQANCHMSA-N 2 2 419.363 3.838 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000554845470 1014072469 /nfs/dbraw/zinc/07/24/69/1014072469.db2.gz SFXGNOPQXCUOIX-HXUWFJFHSA-N 2 2 400.592 3.535 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000554845470 1014072470 /nfs/dbraw/zinc/07/24/70/1014072470.db2.gz SFXGNOPQXCUOIX-HXUWFJFHSA-N 2 2 400.592 3.535 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000409496717 972949423 /nfs/dbraw/zinc/94/94/23/972949423.db2.gz BWFLAABFWVBDPL-UHFFFAOYSA-N 2 2 421.520 3.518 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000409575690 973025852 /nfs/dbraw/zinc/02/58/52/973025852.db2.gz LVDAKSTXGKODOG-NRFANRHFSA-N 2 2 421.520 3.648 20 0 HHADLP CC[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000409575690 973025864 /nfs/dbraw/zinc/02/58/64/973025864.db2.gz LVDAKSTXGKODOG-NRFANRHFSA-N 2 2 421.520 3.648 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630662 973076506 /nfs/dbraw/zinc/07/65/06/973076506.db2.gz KSXIMJJSLZUPRS-FCHUYYIVSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630662 973076521 /nfs/dbraw/zinc/07/65/21/973076521.db2.gz KSXIMJJSLZUPRS-FCHUYYIVSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630673 973076984 /nfs/dbraw/zinc/07/69/84/973076984.db2.gz KSXIMJJSLZUPRS-YADHBBJMSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630673 973076995 /nfs/dbraw/zinc/07/69/95/973076995.db2.gz KSXIMJJSLZUPRS-YADHBBJMSA-N 2 2 421.589 3.631 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000410319707 973865662 /nfs/dbraw/zinc/86/56/62/973865662.db2.gz PKFDKUWLCPVRMV-UHFFFAOYSA-N 2 2 417.557 3.704 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000410351970 973942633 /nfs/dbraw/zinc/94/26/33/973942633.db2.gz NIILWPAFMTUWAX-FQEVSTJZSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000410351970 973942641 /nfs/dbraw/zinc/94/26/41/973942641.db2.gz NIILWPAFMTUWAX-FQEVSTJZSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000410363380 973955874 /nfs/dbraw/zinc/95/58/74/973955874.db2.gz FSECLROJNFYFBX-LJQANCHMSA-N 2 2 409.578 3.636 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000410363380 973955885 /nfs/dbraw/zinc/95/58/85/973955885.db2.gz FSECLROJNFYFBX-LJQANCHMSA-N 2 2 409.578 3.636 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000410368198 973962657 /nfs/dbraw/zinc/96/26/57/973962657.db2.gz WAJGYYXDYDQFQF-FQEVSTJZSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000410368198 973962665 /nfs/dbraw/zinc/96/26/65/973962665.db2.gz WAJGYYXDYDQFQF-FQEVSTJZSA-N 2 2 421.589 3.782 20 0 HHADLP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997522 974112459 /nfs/dbraw/zinc/11/24/59/974112459.db2.gz XRQZNUBSVKQJDA-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997522 974112464 /nfs/dbraw/zinc/11/24/64/974112464.db2.gz XRQZNUBSVKQJDA-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425997522 974112466 /nfs/dbraw/zinc/11/24/66/974112466.db2.gz XRQZNUBSVKQJDA-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425997522 974112473 /nfs/dbraw/zinc/11/24/73/974112473.db2.gz XRQZNUBSVKQJDA-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)oc2c1 ZINC000426023883 974144156 /nfs/dbraw/zinc/14/41/56/974144156.db2.gz QGMPKTUDWUISEL-UYAOXDASSA-N 2 2 421.545 3.687 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426041424 974163857 /nfs/dbraw/zinc/16/38/57/974163857.db2.gz FEYUMBRQMWPQPW-XZOQPEGZSA-N 2 2 403.530 3.673 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000426482714 974478500 /nfs/dbraw/zinc/47/85/00/974478500.db2.gz MPMVEJLUNGCIGL-PKTZIBPZSA-N 2 2 421.520 3.812 20 0 HHADLP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426808483 974675704 /nfs/dbraw/zinc/67/57/04/974675704.db2.gz MTLRTGJZDPQKHV-GOSISDBHSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426808483 974675710 /nfs/dbraw/zinc/67/57/10/974675710.db2.gz MTLRTGJZDPQKHV-GOSISDBHSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@@H](CSc1ccc(F)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426844639 974707240 /nfs/dbraw/zinc/70/72/40/974707240.db2.gz DRMUWQHWTBNHGF-SFHVURJKSA-N 2 2 407.599 3.620 20 0 HHADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000427003893 974815792 /nfs/dbraw/zinc/81/57/92/974815792.db2.gz BJFBDMWLJQTCHU-UHFFFAOYSA-N 2 2 408.590 3.606 20 0 HHADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000427003893 974815807 /nfs/dbraw/zinc/81/58/07/974815807.db2.gz BJFBDMWLJQTCHU-UHFFFAOYSA-N 2 2 408.590 3.606 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000427333656 975059073 /nfs/dbraw/zinc/05/90/73/975059073.db2.gz BBGCNQTXCNHRRV-WOJBJXKFSA-N 2 2 410.562 3.532 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)cc1F ZINC000427696442 975242344 /nfs/dbraw/zinc/24/23/44/975242344.db2.gz QEHNFBKUDFBDSG-CQSZACIVSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ncc(Br)cc1F ZINC000427849666 975320364 /nfs/dbraw/zinc/32/03/64/975320364.db2.gz OASDBQMNFHUSBD-KSSFIOAISA-N 2 2 422.342 3.791 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ncc(Br)cc1F ZINC000427849666 975320372 /nfs/dbraw/zinc/32/03/72/975320372.db2.gz OASDBQMNFHUSBD-KSSFIOAISA-N 2 2 422.342 3.791 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1OC ZINC000427850337 975320852 /nfs/dbraw/zinc/32/08/52/975320852.db2.gz AOJKIMOJGFMUKB-RHSMWYFYSA-N 2 2 412.559 3.922 20 0 HHADLP CCc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427852957 975322424 /nfs/dbraw/zinc/32/24/24/975322424.db2.gz GKUUWIUXQXISGN-NZQKXSOJSA-N 2 2 409.555 3.543 20 0 HHADLP CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]1CCOC(C)(C)C1 ZINC000428945503 976241242 /nfs/dbraw/zinc/24/12/42/976241242.db2.gz YRZWSVTWYHVGPJ-SFHVURJKSA-N 2 2 408.612 3.593 20 0 HHADLP CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]1CCOC(C)(C)C1 ZINC000428945503 976241251 /nfs/dbraw/zinc/24/12/51/976241251.db2.gz YRZWSVTWYHVGPJ-SFHVURJKSA-N 2 2 408.612 3.593 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000429007962 976288914 /nfs/dbraw/zinc/28/89/14/976288914.db2.gz MRFKIYWJBBPWNL-FPOVZHCZSA-N 2 2 409.578 3.662 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1Cc1ccccc1 ZINC000429007962 976288925 /nfs/dbraw/zinc/28/89/25/976288925.db2.gz MRFKIYWJBBPWNL-FPOVZHCZSA-N 2 2 409.578 3.662 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429042183 976326831 /nfs/dbraw/zinc/32/68/31/976326831.db2.gz DFQXCIIPUFNRDE-LEWJYISDSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429042183 976326845 /nfs/dbraw/zinc/32/68/45/976326845.db2.gz DFQXCIIPUFNRDE-LEWJYISDSA-N 2 2 422.976 3.788 20 0 HHADLP CC1CC[NH+](CCCNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430197645 977386161 /nfs/dbraw/zinc/38/61/61/977386161.db2.gz PRGORQWVRBTHFZ-UHFFFAOYSA-N 2 2 417.985 3.870 20 0 HHADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933676 977898516 /nfs/dbraw/zinc/89/85/16/977898516.db2.gz LPORFZCTXPTMSM-IBGZPJMESA-N 3 2 411.594 3.926 20 0 HHADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933676 977898526 /nfs/dbraw/zinc/89/85/26/977898526.db2.gz LPORFZCTXPTMSM-IBGZPJMESA-N 3 2 411.594 3.926 20 0 HHADLP CCn1c2cccc(F)c2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430944233 977905128 /nfs/dbraw/zinc/90/51/28/977905128.db2.gz LJSZRIJCQHUGGT-UHFFFAOYSA-N 3 2 415.601 3.823 20 0 HHADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430944233 977905136 /nfs/dbraw/zinc/90/51/36/977905136.db2.gz LJSZRIJCQHUGGT-UHFFFAOYSA-N 3 2 415.601 3.823 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)([NH+]2CCCCC2)CC1 ZINC000431146642 978048924 /nfs/dbraw/zinc/04/89/24/978048924.db2.gz QVYKNWLFYQVVQY-UHFFFAOYSA-N 2 2 411.550 3.777 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431672779 978427095 /nfs/dbraw/zinc/42/70/95/978427095.db2.gz IKULNNDVKMBILB-FPOVZHCZSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431672779 978427099 /nfs/dbraw/zinc/42/70/99/978427099.db2.gz IKULNNDVKMBILB-FPOVZHCZSA-N 2 2 412.603 3.628 20 0 HHADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431780319 978507646 /nfs/dbraw/zinc/50/76/46/978507646.db2.gz DUTUZTOAUYNEFC-UHFFFAOYSA-N 2 2 420.582 3.970 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)[NH+](CC)CC)cc1 ZINC000431849501 978551119 /nfs/dbraw/zinc/55/11/19/978551119.db2.gz DUEUNQUAWZPZJO-QHCPKHFHSA-N 2 2 423.605 3.995 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431868266 978562088 /nfs/dbraw/zinc/56/20/88/978562088.db2.gz GABOGOIQHADFDJ-RTWAWAEBSA-N 2 2 401.599 3.772 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc(Br)c1 ZINC000432334274 978765613 /nfs/dbraw/zinc/76/56/13/978765613.db2.gz FHAYNRCOSXNUKH-FQEVSTJZSA-N 2 2 420.395 3.941 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432640749 978921499 /nfs/dbraw/zinc/92/14/99/978921499.db2.gz BLYIMROOYRFJPN-HXUWFJFHSA-N 2 2 411.550 3.539 20 0 HHADLP COc1cc(C[NH+](C)[C@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993457 /nfs/dbraw/zinc/99/34/57/978993457.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 2 2 410.566 3.548 20 0 HHADLP COc1cc(C[NH+](C)[C@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993461 /nfs/dbraw/zinc/99/34/61/978993461.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 2 2 410.566 3.548 20 0 HHADLP COc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993464 /nfs/dbraw/zinc/99/34/64/978993464.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 2 2 410.566 3.548 20 0 HHADLP COc1cc(C[NH+](C)[C@@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993466 /nfs/dbraw/zinc/99/34/66/978993466.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 2 2 410.566 3.548 20 0 HHADLP CN(Cc1ccc(F)c(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000433401666 979277781 /nfs/dbraw/zinc/27/77/81/979277781.db2.gz UBNGSDKOKUIWPI-UHFFFAOYSA-N 2 2 410.965 3.571 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433762781 979557280 /nfs/dbraw/zinc/55/72/80/979557280.db2.gz AVWGCWKAOBCEQK-BAGYTPMASA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433762781 979557288 /nfs/dbraw/zinc/55/72/88/979557288.db2.gz AVWGCWKAOBCEQK-BAGYTPMASA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433762781 979557295 /nfs/dbraw/zinc/55/72/95/979557295.db2.gz AVWGCWKAOBCEQK-BAGYTPMASA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433762781 979557300 /nfs/dbraw/zinc/55/73/00/979557300.db2.gz AVWGCWKAOBCEQK-BAGYTPMASA-N 2 2 409.578 3.540 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915480 979676731 /nfs/dbraw/zinc/67/67/31/979676731.db2.gz QDZYOHJPABPPGO-LRQRDZAKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915480 979676736 /nfs/dbraw/zinc/67/67/36/979676736.db2.gz QDZYOHJPABPPGO-LRQRDZAKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915480 979676741 /nfs/dbraw/zinc/67/67/41/979676741.db2.gz QDZYOHJPABPPGO-LRQRDZAKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915480 979676748 /nfs/dbraw/zinc/67/67/48/979676748.db2.gz QDZYOHJPABPPGO-LRQRDZAKSA-N 2 2 424.511 3.555 20 0 HHADLP CC(C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+]1CCC(C)CC1 ZINC000433944203 979703185 /nfs/dbraw/zinc/70/31/85/979703185.db2.gz UTLCXLITLHELPY-QFIPXVFZSA-N 2 2 415.626 3.865 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000434260678 980024188 /nfs/dbraw/zinc/02/41/88/980024188.db2.gz MKLBIWRIUKHTCQ-NRFANRHFSA-N 2 2 413.541 3.550 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000434298524 980058261 /nfs/dbraw/zinc/05/82/61/980058261.db2.gz SWDPGZKPTDIIJI-IEIRFRATSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000434298524 980058269 /nfs/dbraw/zinc/05/82/69/980058269.db2.gz SWDPGZKPTDIIJI-IEIRFRATSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434362748 980115936 /nfs/dbraw/zinc/11/59/36/980115936.db2.gz GAJSOIFYYDPMFJ-UYAOXDASSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000434362748 980115939 /nfs/dbraw/zinc/11/59/39/980115939.db2.gz GAJSOIFYYDPMFJ-UYAOXDASSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434456290 980191927 /nfs/dbraw/zinc/19/19/27/980191927.db2.gz IYIDVKZYEVBCTN-WBADGQHESA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434456290 980191933 /nfs/dbraw/zinc/19/19/33/980191933.db2.gz IYIDVKZYEVBCTN-WBADGQHESA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434466845 980198289 /nfs/dbraw/zinc/19/82/89/980198289.db2.gz GSRQOVGWOXZWSH-BJESRGMDSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434466845 980198293 /nfs/dbraw/zinc/19/82/93/980198293.db2.gz GSRQOVGWOXZWSH-BJESRGMDSA-N 2 2 416.585 3.660 20 0 HHADLP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(C)C)cc1 ZINC000434692492 980344728 /nfs/dbraw/zinc/34/47/28/980344728.db2.gz YFZKBERSPCWWKK-DEOSSOPVSA-N 2 2 424.589 3.921 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047599 981178454 /nfs/dbraw/zinc/17/84/54/981178454.db2.gz IOSKWHPJVBMDML-PKTZIBPZSA-N 2 2 413.606 3.982 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047599 981178455 /nfs/dbraw/zinc/17/84/55/981178455.db2.gz IOSKWHPJVBMDML-PKTZIBPZSA-N 2 2 413.606 3.982 20 0 HHADLP COc1cccc2c(N3CCN(c4ccccc4OCC[NH+](C)C)CC3)cc[nH+]c12 ZINC000436450290 981379973 /nfs/dbraw/zinc/37/99/73/981379973.db2.gz GXGVWQRPERNNOX-UHFFFAOYSA-N 2 2 406.530 3.510 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235348 981644734 /nfs/dbraw/zinc/64/47/34/981644734.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235348 981644738 /nfs/dbraw/zinc/64/47/38/981644738.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235348 981644744 /nfs/dbraw/zinc/64/47/44/981644744.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235348 981644749 /nfs/dbraw/zinc/64/47/49/981644749.db2.gz WQGQQZNRUWGTQA-UWVAXJGDSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437146914 981796449 /nfs/dbraw/zinc/79/64/49/981796449.db2.gz RGLLRPNXJJKQHT-VXKWHMMOSA-N 2 2 407.606 3.840 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000437200416 981858346 /nfs/dbraw/zinc/85/83/46/981858346.db2.gz GZYDQZROOXIIOW-UHFFFAOYSA-N 2 2 407.609 3.786 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460336224 982108568 /nfs/dbraw/zinc/10/85/68/982108568.db2.gz BIWORIZDXLBGCE-DHIUTWEWSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460336224 982108572 /nfs/dbraw/zinc/10/85/72/982108572.db2.gz BIWORIZDXLBGCE-DHIUTWEWSA-N 2 2 415.541 3.536 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460491250 982280773 /nfs/dbraw/zinc/28/07/73/982280773.db2.gz SAODPCGGRWJMFI-UHFFFAOYSA-N 2 2 412.405 3.993 20 0 HHADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000437665221 982281684 /nfs/dbraw/zinc/28/16/84/982281684.db2.gz GTTLFUIGDITJKE-GOSISDBHSA-N 2 2 401.776 3.990 20 0 HHADLP C[NH+]1CCC(CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460494385 982284507 /nfs/dbraw/zinc/28/45/07/982284507.db2.gz UMMZFPIIEDZAGN-IBGZPJMESA-N 2 2 411.512 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000460504801 982293264 /nfs/dbraw/zinc/29/32/64/982293264.db2.gz QATLEWHUTDGZLC-RTBURBONSA-N 2 2 423.523 3.875 20 0 HHADLP C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460507470 982296399 /nfs/dbraw/zinc/29/63/99/982296399.db2.gz LKMKCZGONLCYFN-HXUWFJFHSA-N 2 2 415.622 3.818 20 0 HHADLP CSCCc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000437954785 982485715 /nfs/dbraw/zinc/48/57/15/982485715.db2.gz NFLNQDZVINDDEQ-UHFFFAOYSA-N 2 2 404.624 3.664 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(COCC3CC3)c2)([NH+]2CCCCC2)CC1 ZINC000438212339 982656205 /nfs/dbraw/zinc/65/62/05/982656205.db2.gz HMUJCYVCGBNCDN-UHFFFAOYSA-N 2 2 414.594 3.685 20 0 HHADLP C[NH+](C)CCOc1cc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000438234660 982670526 /nfs/dbraw/zinc/67/05/26/982670526.db2.gz VFHXEONJJPSFAP-LJQANCHMSA-N 2 2 411.481 3.548 20 0 HHADLP C[NH+](C)CCOc1cc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)ccn1 ZINC000438234660 982670527 /nfs/dbraw/zinc/67/05/27/982670527.db2.gz VFHXEONJJPSFAP-LJQANCHMSA-N 2 2 411.481 3.548 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cn2c1 ZINC000438561781 982902596 /nfs/dbraw/zinc/90/25/96/982902596.db2.gz MNCIVQDCZYBNRJ-UHFFFAOYSA-N 2 2 422.598 3.999 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461422160 983085584 /nfs/dbraw/zinc/08/55/84/983085584.db2.gz DSHYXDUFEBQMAA-MOPGFXCFSA-N 2 2 424.495 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461422160 983085587 /nfs/dbraw/zinc/08/55/87/983085587.db2.gz DSHYXDUFEBQMAA-MOPGFXCFSA-N 2 2 424.495 3.603 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)([NH+]2CCCCC2)CC1 ZINC000439320694 983363968 /nfs/dbraw/zinc/36/39/68/983363968.db2.gz BUYJNZWCIXJPPN-ROUUACIJSA-N 2 2 418.548 3.605 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000440109165 983648151 /nfs/dbraw/zinc/64/81/51/983648151.db2.gz PRUJDTLCRZLJAV-KRWDZBQOSA-N 2 2 420.479 3.587 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000440109165 983648153 /nfs/dbraw/zinc/64/81/53/983648153.db2.gz PRUJDTLCRZLJAV-KRWDZBQOSA-N 2 2 420.479 3.587 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440798066 983910761 /nfs/dbraw/zinc/91/07/61/983910761.db2.gz OGKABRJQGLXMJV-GQOXECLESA-N 2 2 424.992 3.863 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440798066 983910771 /nfs/dbraw/zinc/91/07/71/983910771.db2.gz OGKABRJQGLXMJV-GQOXECLESA-N 2 2 424.992 3.863 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257993 984143042 /nfs/dbraw/zinc/14/30/42/984143042.db2.gz PURGHAVBMFTJIF-QRVBRYPASA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257993 984143045 /nfs/dbraw/zinc/14/30/45/984143045.db2.gz PURGHAVBMFTJIF-QRVBRYPASA-N 2 2 404.352 3.681 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000441320772 984180978 /nfs/dbraw/zinc/18/09/78/984180978.db2.gz ZPNFPHOOYPJURA-WOJBJXKFSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000441320768 984181046 /nfs/dbraw/zinc/18/10/46/984181046.db2.gz ZPNFPHOOYPJURA-UXHICEINSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334792 984191393 /nfs/dbraw/zinc/19/13/93/984191393.db2.gz XKHUHUZVLBNWQZ-PKTZIBPZSA-N 2 2 406.574 3.697 20 0 HHADLP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334792 984191396 /nfs/dbraw/zinc/19/13/96/984191396.db2.gz XKHUHUZVLBNWQZ-PKTZIBPZSA-N 2 2 406.574 3.697 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343645 984197967 /nfs/dbraw/zinc/19/79/67/984197967.db2.gz WISJRHUIAHJGJJ-SQJMNOBHSA-N 2 2 420.601 3.795 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343645 984197970 /nfs/dbraw/zinc/19/79/70/984197970.db2.gz WISJRHUIAHJGJJ-SQJMNOBHSA-N 2 2 420.601 3.795 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000441374995 984217393 /nfs/dbraw/zinc/21/73/93/984217393.db2.gz HEOJYWYRNRRCEO-WMZHIEFXSA-N 2 2 408.521 3.717 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441383466 984222030 /nfs/dbraw/zinc/22/20/30/984222030.db2.gz PNDOZHISPNATIS-PGRDOPGGSA-N 2 2 422.529 3.875 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)c(C)c1 ZINC000441387888 984224482 /nfs/dbraw/zinc/22/44/82/984224482.db2.gz SPXNNAZSVSQNBK-GHTZIAJQSA-N 2 2 405.502 3.568 20 0 HHADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392146 984227134 /nfs/dbraw/zinc/22/71/34/984227134.db2.gz IHMZBMJCBQAGSZ-ASMHQJABSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392146 984227136 /nfs/dbraw/zinc/22/71/36/984227136.db2.gz IHMZBMJCBQAGSZ-ASMHQJABSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392146 984227144 /nfs/dbraw/zinc/22/71/44/984227144.db2.gz IHMZBMJCBQAGSZ-ASMHQJABSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392146 984227149 /nfs/dbraw/zinc/22/71/49/984227149.db2.gz IHMZBMJCBQAGSZ-ASMHQJABSA-N 3 2 414.682 3.662 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395071 984228549 /nfs/dbraw/zinc/22/85/49/984228549.db2.gz QNSVBCIRVOOYLP-ZJSXRUAMSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395071 984228550 /nfs/dbraw/zinc/22/85/50/984228550.db2.gz QNSVBCIRVOOYLP-ZJSXRUAMSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395071 984228557 /nfs/dbraw/zinc/22/85/57/984228557.db2.gz QNSVBCIRVOOYLP-ZJSXRUAMSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395071 984228566 /nfs/dbraw/zinc/22/85/66/984228566.db2.gz QNSVBCIRVOOYLP-ZJSXRUAMSA-N 2 2 407.558 3.757 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441405474 984234636 /nfs/dbraw/zinc/23/46/36/984234636.db2.gz BWMZSOHDFOBZLG-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441405474 984234640 /nfs/dbraw/zinc/23/46/40/984234640.db2.gz BWMZSOHDFOBZLG-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441405474 984234645 /nfs/dbraw/zinc/23/46/45/984234645.db2.gz BWMZSOHDFOBZLG-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441405474 984234648 /nfs/dbraw/zinc/23/46/48/984234648.db2.gz BWMZSOHDFOBZLG-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407081 984236220 /nfs/dbraw/zinc/23/62/20/984236220.db2.gz SDDGPUCUPJCCAK-VPWXQRGCSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407081 984236221 /nfs/dbraw/zinc/23/62/21/984236221.db2.gz SDDGPUCUPJCCAK-VPWXQRGCSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407081 984236225 /nfs/dbraw/zinc/23/62/25/984236225.db2.gz SDDGPUCUPJCCAK-VPWXQRGCSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407081 984236229 /nfs/dbraw/zinc/23/62/29/984236229.db2.gz SDDGPUCUPJCCAK-VPWXQRGCSA-N 2 2 420.395 3.575 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419157 984240769 /nfs/dbraw/zinc/24/07/69/984240769.db2.gz JLIGPIMQJHXDIU-REWPJTCUSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419157 984240776 /nfs/dbraw/zinc/24/07/76/984240776.db2.gz JLIGPIMQJHXDIU-REWPJTCUSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419157 984240786 /nfs/dbraw/zinc/24/07/86/984240786.db2.gz JLIGPIMQJHXDIU-REWPJTCUSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419157 984240790 /nfs/dbraw/zinc/24/07/90/984240790.db2.gz JLIGPIMQJHXDIU-REWPJTCUSA-N 2 2 411.590 3.573 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000441623110 984360880 /nfs/dbraw/zinc/36/08/80/984360880.db2.gz SSHGGBAJSVGEQH-QFIPXVFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000441623110 984360889 /nfs/dbraw/zinc/36/08/89/984360889.db2.gz SSHGGBAJSVGEQH-QFIPXVFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000441623110 984360896 /nfs/dbraw/zinc/36/08/96/984360896.db2.gz SSHGGBAJSVGEQH-QFIPXVFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000441623110 984360906 /nfs/dbraw/zinc/36/09/06/984360906.db2.gz SSHGGBAJSVGEQH-QFIPXVFZSA-N 2 2 411.615 3.821 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461734332 984747746 /nfs/dbraw/zinc/74/77/46/984747746.db2.gz YZZMMKCDIFIGGZ-CTUHWIOQSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000461734332 984747750 /nfs/dbraw/zinc/74/77/50/984747750.db2.gz YZZMMKCDIFIGGZ-CTUHWIOQSA-N 2 2 417.557 3.931 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237724 984758133 /nfs/dbraw/zinc/75/81/33/984758133.db2.gz YFTFCOFMOIMIFU-ISKFKSNPSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237724 984758142 /nfs/dbraw/zinc/75/81/42/984758142.db2.gz YFTFCOFMOIMIFU-ISKFKSNPSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000442238826 984759628 /nfs/dbraw/zinc/75/96/28/984759628.db2.gz BJPQDSNPUDRQQJ-GMAHTHKFSA-N 2 2 409.578 3.901 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462196321 985178878 /nfs/dbraw/zinc/17/88/78/985178878.db2.gz PLUYGUNKOMSGOO-LADGPHEKSA-N 2 2 412.622 3.804 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442873896 985254511 /nfs/dbraw/zinc/25/45/11/985254511.db2.gz AGXVZHCGAAKQJW-QGZVFWFLSA-N 2 2 408.340 3.644 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442873896 985254525 /nfs/dbraw/zinc/25/45/25/985254525.db2.gz AGXVZHCGAAKQJW-QGZVFWFLSA-N 2 2 408.340 3.644 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000462513792 985464446 /nfs/dbraw/zinc/46/44/46/985464446.db2.gz ACFONTFEPYJWFS-SIKLNZKXSA-N 2 2 412.603 3.973 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000462517690 985467741 /nfs/dbraw/zinc/46/77/41/985467741.db2.gz RLCSUSPEFCZJOM-HKUYNNGSSA-N 2 2 402.564 3.566 20 0 HHADLP c1cc(C2CCCC2)ccc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000462775086 985710662 /nfs/dbraw/zinc/71/06/62/985710662.db2.gz GEFBZAYBESMNRX-QHCPKHFHSA-N 2 2 421.589 3.729 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000462899700 985827240 /nfs/dbraw/zinc/82/72/40/985827240.db2.gz BXUBTSLLPDJTBN-KRWDZBQOSA-N 2 2 414.377 3.579 20 0 HHADLP O=C([C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCC1 ZINC000463107618 986068717 /nfs/dbraw/zinc/06/87/17/986068717.db2.gz DZBUNCNVMWYUDQ-RUZDIDTESA-N 2 2 405.586 3.517 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463144817 986114015 /nfs/dbraw/zinc/11/40/15/986114015.db2.gz BIXXMYVFSXEDHU-IBGZPJMESA-N 2 2 412.603 3.932 20 0 HHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246873 986215270 /nfs/dbraw/zinc/21/52/70/986215270.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246873 986215285 /nfs/dbraw/zinc/21/52/85/986215285.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246873 986215300 /nfs/dbraw/zinc/21/53/00/986215300.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246873 986215312 /nfs/dbraw/zinc/21/53/12/986215312.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 3 2 419.613 3.655 20 0 HHADLP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000463252478 986220647 /nfs/dbraw/zinc/22/06/47/986220647.db2.gz NPNIRAWWQLTXHW-XMMPIXPASA-N 2 2 409.549 3.532 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000463284031 986250827 /nfs/dbraw/zinc/25/08/27/986250827.db2.gz GFWHSHFXZGVRBX-FYYLOGMGSA-N 2 2 400.611 3.614 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463284031 986250837 /nfs/dbraw/zinc/25/08/37/986250837.db2.gz GFWHSHFXZGVRBX-FYYLOGMGSA-N 2 2 400.611 3.614 20 0 HHADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000463301288 986269623 /nfs/dbraw/zinc/26/96/23/986269623.db2.gz OXMQPPQJAUUPOG-UHFFFAOYSA-N 2 2 410.381 3.509 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000468862370 986571393 /nfs/dbraw/zinc/57/13/93/986571393.db2.gz HJDVQLORGMMSJM-XXBNENTESA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000468862370 986571397 /nfs/dbraw/zinc/57/13/97/986571397.db2.gz HJDVQLORGMMSJM-XXBNENTESA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463730649 986716683 /nfs/dbraw/zinc/71/66/83/986716683.db2.gz PAABGMVZOJBSRY-SFHVURJKSA-N 2 2 423.561 3.603 20 0 HHADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463730649 986716695 /nfs/dbraw/zinc/71/66/95/986716695.db2.gz PAABGMVZOJBSRY-SFHVURJKSA-N 2 2 423.561 3.603 20 0 HHADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000444582350 986769466 /nfs/dbraw/zinc/76/94/66/986769466.db2.gz JUGQGNNEOPHFJO-UHFFFAOYSA-N 2 2 401.576 3.795 20 0 HHADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000444582350 986769477 /nfs/dbraw/zinc/76/94/77/986769477.db2.gz JUGQGNNEOPHFJO-UHFFFAOYSA-N 2 2 401.576 3.795 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469102911 986818854 /nfs/dbraw/zinc/81/88/54/986818854.db2.gz PSCPYVBIQFZSKK-QHCPKHFHSA-N 2 2 411.977 3.943 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469102911 986818864 /nfs/dbraw/zinc/81/88/64/986818864.db2.gz PSCPYVBIQFZSKK-QHCPKHFHSA-N 2 2 411.977 3.943 20 0 HHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444800281 986955418 /nfs/dbraw/zinc/95/54/18/986955418.db2.gz UNZRLZBQPCBSNA-KNQAVFIVSA-N 2 2 404.514 3.988 20 0 HHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000444800281 986955424 /nfs/dbraw/zinc/95/54/24/986955424.db2.gz UNZRLZBQPCBSNA-KNQAVFIVSA-N 2 2 404.514 3.988 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802036 986957815 /nfs/dbraw/zinc/95/78/15/986957815.db2.gz LTVCCTPZCYARDA-IFMALSPDSA-N 2 2 410.562 3.752 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802036 986957822 /nfs/dbraw/zinc/95/78/22/986957822.db2.gz LTVCCTPZCYARDA-IFMALSPDSA-N 2 2 410.562 3.752 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000469491327 987172092 /nfs/dbraw/zinc/17/20/92/987172092.db2.gz FGMIJPJNKSNTIA-NRFANRHFSA-N 2 2 421.585 3.912 20 0 HHADLP O=C(C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000469512452 987189145 /nfs/dbraw/zinc/18/91/45/987189145.db2.gz RQQAZASUZNERIT-FQEVSTJZSA-N 2 2 409.496 3.975 20 0 HHADLP O=C(C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000469512452 987189147 /nfs/dbraw/zinc/18/91/47/987189147.db2.gz RQQAZASUZNERIT-FQEVSTJZSA-N 2 2 409.496 3.975 20 0 HHADLP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469684032 987341638 /nfs/dbraw/zinc/34/16/38/987341638.db2.gz ZFRZNCVFSFMBAP-WIYYLYMNSA-N 2 2 413.591 3.589 20 0 HHADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707463 987363520 /nfs/dbraw/zinc/36/35/20/987363520.db2.gz IXZVYSMOXNMWJM-ZWKOTPCHSA-N 2 2 420.479 3.743 20 0 HHADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707463 987363526 /nfs/dbraw/zinc/36/35/26/987363526.db2.gz IXZVYSMOXNMWJM-ZWKOTPCHSA-N 2 2 420.479 3.743 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469736519 987386305 /nfs/dbraw/zinc/38/63/05/987386305.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 2 403.526 3.802 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469736519 987386310 /nfs/dbraw/zinc/38/63/10/987386310.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 2 403.526 3.802 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469736519 987386314 /nfs/dbraw/zinc/38/63/14/987386314.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 2 403.526 3.802 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469736519 987386319 /nfs/dbraw/zinc/38/63/19/987386319.db2.gz MESFYNUAMPYQQR-XMMPIXPASA-N 2 2 403.526 3.802 20 0 HHADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469763479 987416575 /nfs/dbraw/zinc/41/65/75/987416575.db2.gz JVRQTXNXFRBIIP-JOCHJYFZSA-N 2 2 416.516 3.845 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000469769528 987421330 /nfs/dbraw/zinc/42/13/30/987421330.db2.gz PPOPTWCNRJJCNY-REWPJTCUSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000469783461 987430064 /nfs/dbraw/zinc/43/00/64/987430064.db2.gz NMGQXFIUAYFEPL-AJYBTWMASA-N 2 2 401.580 3.620 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000469783461 987430071 /nfs/dbraw/zinc/43/00/71/987430071.db2.gz NMGQXFIUAYFEPL-AJYBTWMASA-N 2 2 401.580 3.620 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000469788386 987433848 /nfs/dbraw/zinc/43/38/48/987433848.db2.gz UFNHPCURIFOHQY-NVXWUHKLSA-N 2 2 423.399 3.562 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000469788386 987433850 /nfs/dbraw/zinc/43/38/50/987433850.db2.gz UFNHPCURIFOHQY-NVXWUHKLSA-N 2 2 423.399 3.562 20 0 HHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469997486 987613579 /nfs/dbraw/zinc/61/35/79/987613579.db2.gz ZOVXKSORVYOBGW-KRWDZBQOSA-N 2 2 415.525 3.837 20 0 HHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000469997486 987613583 /nfs/dbraw/zinc/61/35/83/987613583.db2.gz ZOVXKSORVYOBGW-KRWDZBQOSA-N 2 2 415.525 3.837 20 0 HHADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)c1 ZINC000464006850 988117693 /nfs/dbraw/zinc/11/76/93/988117693.db2.gz PDEJQVUVNZMXIY-UHFFFAOYSA-N 2 2 419.529 3.908 20 0 HHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314086 988443498 /nfs/dbraw/zinc/44/34/98/988443498.db2.gz BDZNIZKLIICYTQ-KMDXXIMOSA-N 2 2 415.622 3.984 20 0 HHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314086 988443507 /nfs/dbraw/zinc/44/35/07/988443507.db2.gz BDZNIZKLIICYTQ-KMDXXIMOSA-N 2 2 415.622 3.984 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600125 988616886 /nfs/dbraw/zinc/61/68/86/988616886.db2.gz LJLZSHXOFMMFOW-WOJBJXKFSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600125 988616899 /nfs/dbraw/zinc/61/68/99/988616899.db2.gz LJLZSHXOFMMFOW-WOJBJXKFSA-N 2 2 405.464 3.699 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(F)cc1F ZINC000470643538 988657858 /nfs/dbraw/zinc/65/78/58/988657858.db2.gz HETDYJYGUMBLTF-KLHDSHLOSA-N 2 2 422.520 3.587 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000464762552 988984790 /nfs/dbraw/zinc/98/47/90/988984790.db2.gz LDASLQFPPBASQB-LJQANCHMSA-N 2 2 415.628 3.507 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000464762552 988984792 /nfs/dbraw/zinc/98/47/92/988984792.db2.gz LDASLQFPPBASQB-LJQANCHMSA-N 2 2 415.628 3.507 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801573 989030421 /nfs/dbraw/zinc/03/04/21/989030421.db2.gz HQOCVOASRKSLOY-NRFANRHFSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801573 989030430 /nfs/dbraw/zinc/03/04/30/989030430.db2.gz HQOCVOASRKSLOY-NRFANRHFSA-N 2 2 408.590 3.676 20 0 HHADLP Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)sc1C ZINC000464803492 989032909 /nfs/dbraw/zinc/03/29/09/989032909.db2.gz XXFLOBVUIMIMCV-UHFFFAOYSA-N 2 2 414.619 3.628 20 0 HHADLP Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)sc1C ZINC000464803492 989032927 /nfs/dbraw/zinc/03/29/27/989032927.db2.gz XXFLOBVUIMIMCV-UHFFFAOYSA-N 2 2 414.619 3.628 20 0 HHADLP C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000470984985 989049925 /nfs/dbraw/zinc/04/99/25/989049925.db2.gz KTILOPIYTVBOAR-FQEVSTJZSA-N 2 2 409.574 3.674 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843570 989091746 /nfs/dbraw/zinc/09/17/46/989091746.db2.gz WDDKKPZTYAIEIK-USEDWHFXSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843570 989091757 /nfs/dbraw/zinc/09/17/57/989091757.db2.gz WDDKKPZTYAIEIK-USEDWHFXSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843570 989091768 /nfs/dbraw/zinc/09/17/68/989091768.db2.gz WDDKKPZTYAIEIK-USEDWHFXSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843570 989091776 /nfs/dbraw/zinc/09/17/76/989091776.db2.gz WDDKKPZTYAIEIK-USEDWHFXSA-N 2 2 409.618 3.914 20 0 HHADLP CN(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851589 989104154 /nfs/dbraw/zinc/10/41/54/989104154.db2.gz QANVVRUKIKTCGD-DHLKQENFSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851589 989104159 /nfs/dbraw/zinc/10/41/59/989104159.db2.gz QANVVRUKIKTCGD-DHLKQENFSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851589 989104165 /nfs/dbraw/zinc/10/41/65/989104165.db2.gz QANVVRUKIKTCGD-DHLKQENFSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851589 989104169 /nfs/dbraw/zinc/10/41/69/989104169.db2.gz QANVVRUKIKTCGD-DHLKQENFSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098503 989195579 /nfs/dbraw/zinc/19/55/79/989195579.db2.gz FLWLQMMPTWXLNC-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098503 989195581 /nfs/dbraw/zinc/19/55/81/989195581.db2.gz FLWLQMMPTWXLNC-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230690 989374952 /nfs/dbraw/zinc/37/49/52/989374952.db2.gz VPJKZYLZHJKZKM-UZLBHIALSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230690 989374974 /nfs/dbraw/zinc/37/49/74/989374974.db2.gz VPJKZYLZHJKZKM-UZLBHIALSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230690 989374982 /nfs/dbraw/zinc/37/49/82/989374982.db2.gz VPJKZYLZHJKZKM-UZLBHIALSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000471230690 989374992 /nfs/dbraw/zinc/37/49/92/989374992.db2.gz VPJKZYLZHJKZKM-UZLBHIALSA-N 2 2 403.954 3.878 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccco1 ZINC000465407941 989754900 /nfs/dbraw/zinc/75/49/00/989754900.db2.gz VQCMLDYZAAOLMO-OAQYLSRUSA-N 2 2 410.518 3.607 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccco1 ZINC000465407941 989754910 /nfs/dbraw/zinc/75/49/10/989754910.db2.gz VQCMLDYZAAOLMO-OAQYLSRUSA-N 2 2 410.518 3.607 20 0 HHADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000471584401 989788172 /nfs/dbraw/zinc/78/81/72/989788172.db2.gz GBHIRBVDVYFDEW-UNMCSNQZSA-N 2 2 421.589 3.566 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@@H+]1C ZINC000465537801 989900702 /nfs/dbraw/zinc/90/07/02/989900702.db2.gz CUYCPJLBAOXYLQ-JTDSTZFVSA-N 2 2 410.965 3.740 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000465537801 989900708 /nfs/dbraw/zinc/90/07/08/989900708.db2.gz CUYCPJLBAOXYLQ-JTDSTZFVSA-N 2 2 410.965 3.740 20 0 HHADLP CC(C)Oc1cccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000465591911 989970397 /nfs/dbraw/zinc/97/03/97/989970397.db2.gz GITAHDGEZBEXBX-FQEVSTJZSA-N 2 2 416.610 3.784 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccc(-c3ccccc3)o2)([NH+]2CCCCC2)CC1 ZINC000465679792 990065050 /nfs/dbraw/zinc/06/50/50/990065050.db2.gz DBWDUUIXDCUJAE-UHFFFAOYSA-N 2 2 410.562 3.696 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471965038 990131235 /nfs/dbraw/zinc/13/12/35/990131235.db2.gz QEZKOWMXTQBNGL-SFTDATJTSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471965038 990131237 /nfs/dbraw/zinc/13/12/37/990131237.db2.gz QEZKOWMXTQBNGL-SFTDATJTSA-N 2 2 402.489 3.636 20 0 HHADLP C[C@@H]1C[C@@H]1[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819692 990202887 /nfs/dbraw/zinc/20/28/87/990202887.db2.gz WARPVXHSEHAGAQ-XGRCMKMKSA-N 2 2 419.013 3.895 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)cn2c1 ZINC000472062377 990225253 /nfs/dbraw/zinc/22/52/53/990225253.db2.gz JVHGOYCXINBXIV-IBGZPJMESA-N 2 2 410.587 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000472062377 990225266 /nfs/dbraw/zinc/22/52/66/990225266.db2.gz JVHGOYCXINBXIV-IBGZPJMESA-N 2 2 410.587 3.903 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869116 990982498 /nfs/dbraw/zinc/98/24/98/990982498.db2.gz DIYBSPCTYPQBRF-YLJYHZDGSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869116 990982505 /nfs/dbraw/zinc/98/25/05/990982505.db2.gz DIYBSPCTYPQBRF-YLJYHZDGSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869116 990982514 /nfs/dbraw/zinc/98/25/14/990982514.db2.gz DIYBSPCTYPQBRF-YLJYHZDGSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869116 990982524 /nfs/dbraw/zinc/98/25/24/990982524.db2.gz DIYBSPCTYPQBRF-YLJYHZDGSA-N 2 2 424.992 3.817 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000465870051 990983436 /nfs/dbraw/zinc/98/34/36/990983436.db2.gz GALVRVLGBNOEAM-HXUWFJFHSA-N 2 2 424.992 3.865 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000465870051 990983443 /nfs/dbraw/zinc/98/34/43/990983443.db2.gz GALVRVLGBNOEAM-HXUWFJFHSA-N 2 2 424.992 3.865 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000465898840 991026315 /nfs/dbraw/zinc/02/63/15/991026315.db2.gz RZFUITYNSLBRNY-JOCHJYFZSA-N 2 2 416.585 3.916 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)([NH+]2CCCCC2)CC1 ZINC000465928567 991062331 /nfs/dbraw/zinc/06/23/31/991062331.db2.gz YGFJKVGEYIUUSN-UHFFFAOYSA-N 2 2 404.986 3.579 20 0 HHADLP CCC[C@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465941400 991079977 /nfs/dbraw/zinc/07/99/77/991079977.db2.gz WFFVRIRWYDPPLD-JOCHJYFZSA-N 2 2 400.611 3.647 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465960617 991103880 /nfs/dbraw/zinc/10/38/80/991103880.db2.gz OVVVTQNXCCNUGQ-NRFANRHFSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465960617 991103886 /nfs/dbraw/zinc/10/38/86/991103886.db2.gz OVVVTQNXCCNUGQ-NRFANRHFSA-N 2 2 421.589 3.665 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1cccs1 ZINC000466099155 991278697 /nfs/dbraw/zinc/27/86/97/991278697.db2.gz IRMCJOGUYNVNEQ-XLIONFOSSA-N 2 2 401.580 3.718 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1cccs1 ZINC000466099155 991278703 /nfs/dbraw/zinc/27/87/03/991278703.db2.gz IRMCJOGUYNVNEQ-XLIONFOSSA-N 2 2 401.580 3.718 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466147223 991330485 /nfs/dbraw/zinc/33/04/85/991330485.db2.gz QDWPVDMGYNWASI-QHCPKHFHSA-N 2 2 412.622 3.744 20 0 HHADLP Cc1ccc(Br)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466152478 991337868 /nfs/dbraw/zinc/33/78/68/991337868.db2.gz FAMLARZCMUVGMD-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466154698 991340452 /nfs/dbraw/zinc/34/04/52/991340452.db2.gz QPVFXQVXJGMYSW-DENIHFKCSA-N 2 2 416.585 3.869 20 0 HHADLP C[C@H](c1ccccc1Cl)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466158825 991346521 /nfs/dbraw/zinc/34/65/21/991346521.db2.gz RXEBFUNLZLCNPT-GOSISDBHSA-N 2 2 407.002 3.993 20 0 HHADLP Cc1ccccc1C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466161405 991350071 /nfs/dbraw/zinc/35/00/71/991350071.db2.gz XQGUSBAMKXDDHE-QHCPKHFHSA-N 2 2 412.622 3.662 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301021 991553659 /nfs/dbraw/zinc/55/36/59/991553659.db2.gz XSWNUDKMJWSMSM-XQBPLPMBSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301021 991553672 /nfs/dbraw/zinc/55/36/72/991553672.db2.gz XSWNUDKMJWSMSM-XQBPLPMBSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301021 991553681 /nfs/dbraw/zinc/55/36/81/991553681.db2.gz XSWNUDKMJWSMSM-XQBPLPMBSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301021 991553694 /nfs/dbraw/zinc/55/36/94/991553694.db2.gz XSWNUDKMJWSMSM-XQBPLPMBSA-N 2 2 414.594 3.682 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801991 992110806 /nfs/dbraw/zinc/11/08/06/992110806.db2.gz OFDGZVDWNOVOAQ-DEOSSOPVSA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801991 992110808 /nfs/dbraw/zinc/11/08/08/992110808.db2.gz OFDGZVDWNOVOAQ-DEOSSOPVSA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801991 992110816 /nfs/dbraw/zinc/11/08/16/992110816.db2.gz OFDGZVDWNOVOAQ-DEOSSOPVSA-N 2 2 405.546 3.872 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)on2)cnn1C ZINC000466801991 992110822 /nfs/dbraw/zinc/11/08/22/992110822.db2.gz OFDGZVDWNOVOAQ-DEOSSOPVSA-N 2 2 405.546 3.872 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000466977593 992288890 /nfs/dbraw/zinc/28/88/90/992288890.db2.gz SPZNYDIDVFDQQZ-IEBWSBKVSA-N 2 2 413.591 3.914 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@H+]1Cc1ccccc1 ZINC000466977593 992288900 /nfs/dbraw/zinc/28/89/00/992288900.db2.gz SPZNYDIDVFDQQZ-IEBWSBKVSA-N 2 2 413.591 3.914 20 0 HHADLP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000467201113 992525984 /nfs/dbraw/zinc/52/59/84/992525984.db2.gz JKJQEGCCPBQLTJ-UHFFFAOYSA-N 2 2 423.557 3.994 20 0 HHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000467339426 992660154 /nfs/dbraw/zinc/66/01/54/992660154.db2.gz URSDRLIAAFNVBD-PKTZIBPZSA-N 2 2 409.574 3.917 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000467485314 992773614 /nfs/dbraw/zinc/77/36/14/992773614.db2.gz NOGAYMREXHTLJN-TZIWHRDSSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000467485314 992773620 /nfs/dbraw/zinc/77/36/20/992773620.db2.gz NOGAYMREXHTLJN-TZIWHRDSSA-N 2 2 419.529 3.747 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263059 993287198 /nfs/dbraw/zinc/28/71/98/993287198.db2.gz MUKOESRSVZITEV-GDBMZVCRSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263059 993287206 /nfs/dbraw/zinc/28/72/06/993287206.db2.gz MUKOESRSVZITEV-GDBMZVCRSA-N 2 2 402.366 3.753 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000472319011 993329595 /nfs/dbraw/zinc/32/95/95/993329595.db2.gz IOSRJAUWFGYVKQ-OAQYLSRUSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000472319011 993329603 /nfs/dbraw/zinc/32/96/03/993329603.db2.gz IOSRJAUWFGYVKQ-OAQYLSRUSA-N 2 2 421.589 3.631 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472520351 993512101 /nfs/dbraw/zinc/51/21/01/993512101.db2.gz PJCDDZLZJCPONA-ZEQRLZLVSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472520351 993512107 /nfs/dbraw/zinc/51/21/07/993512107.db2.gz PJCDDZLZJCPONA-ZEQRLZLVSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472520343 993512300 /nfs/dbraw/zinc/51/23/00/993512300.db2.gz PJCDDZLZJCPONA-BJKOFHAPSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472520343 993512305 /nfs/dbraw/zinc/51/23/05/993512305.db2.gz PJCDDZLZJCPONA-BJKOFHAPSA-N 2 2 423.605 3.713 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3F)cc2)CC1 ZINC000480731816 993598509 /nfs/dbraw/zinc/59/85/09/993598509.db2.gz RKTDDHOXJZVAOW-SFHVURJKSA-N 2 2 415.553 3.831 20 0 HHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000480821875 993697230 /nfs/dbraw/zinc/69/72/30/993697230.db2.gz BMIQVDJOGXTDCG-NTKDMRAZSA-N 2 2 424.589 3.630 20 0 HHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000480821875 993697238 /nfs/dbraw/zinc/69/72/38/993697238.db2.gz BMIQVDJOGXTDCG-NTKDMRAZSA-N 2 2 424.589 3.630 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907890 993764197 /nfs/dbraw/zinc/76/41/97/993764197.db2.gz KONQLLXWQXNYFL-AUSIDOKSSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907890 993764205 /nfs/dbraw/zinc/76/42/05/993764205.db2.gz KONQLLXWQXNYFL-AUSIDOKSSA-N 2 2 415.541 3.729 20 0 HHADLP COC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480913761 993769747 /nfs/dbraw/zinc/76/97/47/993769747.db2.gz VLZWULHRPWXEIC-QFIPXVFZSA-N 2 2 421.507 3.930 20 0 HHADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480913761 993769754 /nfs/dbraw/zinc/76/97/54/993769754.db2.gz VLZWULHRPWXEIC-QFIPXVFZSA-N 2 2 421.507 3.930 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175821 994005761 /nfs/dbraw/zinc/00/57/61/994005761.db2.gz NBCYFZXPZMHGHD-QFBILLFUSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175821 994005772 /nfs/dbraw/zinc/00/57/72/994005772.db2.gz NBCYFZXPZMHGHD-QFBILLFUSA-N 2 2 401.938 3.787 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189780 994022300 /nfs/dbraw/zinc/02/23/00/994022300.db2.gz JLFUVTBQNYORIU-MAUKXSAKSA-N 2 2 412.534 3.874 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189780 994022311 /nfs/dbraw/zinc/02/23/11/994022311.db2.gz JLFUVTBQNYORIU-MAUKXSAKSA-N 2 2 412.534 3.874 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190829 994022989 /nfs/dbraw/zinc/02/29/89/994022989.db2.gz PEZBVRNTGICDIR-SXWKCWPCSA-N 2 2 422.573 3.840 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481190829 994022996 /nfs/dbraw/zinc/02/29/96/994022996.db2.gz PEZBVRNTGICDIR-SXWKCWPCSA-N 2 2 422.573 3.840 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481191081 994023021 /nfs/dbraw/zinc/02/30/21/994023021.db2.gz NSWZPYMJFJIQHV-XZOQPEGZSA-N 2 2 406.574 3.511 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191674 994025245 /nfs/dbraw/zinc/02/52/45/994025245.db2.gz REDMBYJECMQABW-JXALWOEJSA-N 2 2 418.585 3.715 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000481191674 994025251 /nfs/dbraw/zinc/02/52/51/994025251.db2.gz REDMBYJECMQABW-JXALWOEJSA-N 2 2 418.585 3.715 20 0 HHADLP C[C@@H](C[NH+]1CC[C@]2(C1)OCc1ccccc12)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155669 994026955 /nfs/dbraw/zinc/02/69/55/994026955.db2.gz AONGFJGVCLWXFC-OHEJQPSLSA-N 2 2 404.554 3.885 20 0 HHADLP C[C@@H](C[NH+]1CC[C@]2(C1)OCc1ccccc12)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473155669 994026965 /nfs/dbraw/zinc/02/69/65/994026965.db2.gz AONGFJGVCLWXFC-OHEJQPSLSA-N 2 2 404.554 3.885 20 0 HHADLP C[C@H](C[NH+]1CC[C@@]2(C1)OCc1ccccc12)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155669 994026976 /nfs/dbraw/zinc/02/69/76/994026976.db2.gz AONGFJGVCLWXFC-OHEJQPSLSA-N 2 2 404.554 3.885 20 0 HHADLP C[C@H](C[NH+]1CC[C@@]2(C1)OCc1ccccc12)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473155669 994026987 /nfs/dbraw/zinc/02/69/87/994026987.db2.gz AONGFJGVCLWXFC-OHEJQPSLSA-N 2 2 404.554 3.885 20 0 HHADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305459 994122090 /nfs/dbraw/zinc/12/20/90/994122090.db2.gz GKUALWJKVUZPPD-QZTJIDSGSA-N 2 2 404.514 3.942 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC(F)F ZINC000481406509 994239226 /nfs/dbraw/zinc/23/92/26/994239226.db2.gz QRZQPBCOTSAQGY-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481412222 994246035 /nfs/dbraw/zinc/24/60/35/994246035.db2.gz FVWMCISGZRTDNA-OAQYLSRUSA-N 2 2 402.535 3.863 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481560457 994394122 /nfs/dbraw/zinc/39/41/22/994394122.db2.gz WTEXWVMSMDXEBZ-JPYJTQIMSA-N 2 2 404.514 3.632 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423277 /nfs/dbraw/zinc/42/32/77/994423277.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423281 /nfs/dbraw/zinc/42/32/81/994423281.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423289 /nfs/dbraw/zinc/42/32/89/994423289.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423298 /nfs/dbraw/zinc/42/32/98/994423298.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423307 /nfs/dbraw/zinc/42/33/07/994423307.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 2 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423314 /nfs/dbraw/zinc/42/33/14/994423314.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 2 2 407.602 3.908 20 0 HHADLP O=C(CC[NH+]1CCC(c2ccc(Cl)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481839813 994693034 /nfs/dbraw/zinc/69/30/34/994693034.db2.gz UXKRYBWONDRRFC-UHFFFAOYSA-N 2 2 412.965 3.653 20 0 HHADLP COc1ccc(SCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000473892161 994845304 /nfs/dbraw/zinc/84/53/04/994845304.db2.gz FCQWDTFDGRAAMI-UHFFFAOYSA-N 2 2 419.635 3.634 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000482001366 994902471 /nfs/dbraw/zinc/90/24/71/994902471.db2.gz MQHMPBQJJGJMHD-UEKVPHQBSA-N 2 2 422.738 3.772 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000482001366 994902479 /nfs/dbraw/zinc/90/24/79/994902479.db2.gz MQHMPBQJJGJMHD-UEKVPHQBSA-N 2 2 422.738 3.772 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473943773 994919526 /nfs/dbraw/zinc/91/95/26/994919526.db2.gz IAFOQCQKOXTOKP-KNQAVFIVSA-N 2 2 409.578 3.629 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473943773 994919531 /nfs/dbraw/zinc/91/95/31/994919531.db2.gz IAFOQCQKOXTOKP-KNQAVFIVSA-N 2 2 409.578 3.629 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482049896 994973972 /nfs/dbraw/zinc/97/39/72/994973972.db2.gz PSAJRKVSINMCTC-BEFAXECRSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482049896 994973989 /nfs/dbraw/zinc/97/39/89/994973989.db2.gz PSAJRKVSINMCTC-BEFAXECRSA-N 2 2 418.582 3.851 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3cccc(-c4ccccc4)c3)CC2)CC1 ZINC000474005341 994995478 /nfs/dbraw/zinc/99/54/78/994995478.db2.gz LTAOKFVMMHDHDD-UHFFFAOYSA-N 2 2 420.601 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482079106 995016427 /nfs/dbraw/zinc/01/64/27/995016427.db2.gz GVOFBWAELSVJDY-DNQXCXABSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482079106 995016435 /nfs/dbraw/zinc/01/64/35/995016435.db2.gz GVOFBWAELSVJDY-DNQXCXABSA-N 2 2 416.525 3.648 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2ccncc2)c1 ZINC000482120260 995068010 /nfs/dbraw/zinc/06/80/10/995068010.db2.gz NGNGNWNVJXTMCP-HXUWFJFHSA-N 2 2 415.541 3.533 20 0 HHADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1OC ZINC000482121068 995069381 /nfs/dbraw/zinc/06/93/81/995069381.db2.gz KTYKGTDIXXPGGM-IBGZPJMESA-N 2 2 416.953 3.523 20 0 HHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482128670 995077944 /nfs/dbraw/zinc/07/79/44/995077944.db2.gz QUZFEWYTZKYOOL-QGZVFWFLSA-N 2 2 416.953 3.523 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130143 995079689 /nfs/dbraw/zinc/07/96/89/995079689.db2.gz UGVLESGZLDWXNT-HZPDHXFCSA-N 2 2 410.580 3.854 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130143 995079698 /nfs/dbraw/zinc/07/96/98/995079698.db2.gz UGVLESGZLDWXNT-HZPDHXFCSA-N 2 2 410.580 3.854 20 0 HHADLP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000482204016 995185285 /nfs/dbraw/zinc/18/52/85/995185285.db2.gz CSVRLTQZVSQLDX-UHFFFAOYSA-N 2 2 418.541 3.673 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474244510 995242074 /nfs/dbraw/zinc/24/20/74/995242074.db2.gz HYGNWOBXXWLHPH-KDURUIRLSA-N 2 2 405.546 3.812 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474244510 995242079 /nfs/dbraw/zinc/24/20/79/995242079.db2.gz HYGNWOBXXWLHPH-KDURUIRLSA-N 2 2 405.546 3.812 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)c(C)c2)CC1 ZINC000474291801 995283605 /nfs/dbraw/zinc/28/36/05/995283605.db2.gz RITYKJDNRLLQGJ-SFHVURJKSA-N 2 2 409.578 3.727 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)c(C)c2)CC1 ZINC000474291801 995283615 /nfs/dbraw/zinc/28/36/15/995283615.db2.gz RITYKJDNRLLQGJ-SFHVURJKSA-N 2 2 409.578 3.727 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000474336475 995316462 /nfs/dbraw/zinc/31/64/62/995316462.db2.gz HJSHZHXOCUTNBP-HDYDNRTBSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000474336475 995316475 /nfs/dbraw/zinc/31/64/75/995316475.db2.gz HJSHZHXOCUTNBP-HDYDNRTBSA-N 2 2 422.976 3.760 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000474452962 995415698 /nfs/dbraw/zinc/41/56/98/995415698.db2.gz MDFWXKCVUJCWMC-XUTJKUGGSA-N 2 2 419.013 3.836 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000474613459 995566313 /nfs/dbraw/zinc/56/63/13/995566313.db2.gz SCHAFOLPTUCTFX-QZTJIDSGSA-N 2 2 423.586 3.512 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474657601 995603296 /nfs/dbraw/zinc/60/32/96/995603296.db2.gz LXINVDSTOYLYDK-XRUXWCASSA-N 2 2 422.976 3.931 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474657601 995603302 /nfs/dbraw/zinc/60/33/02/995603302.db2.gz LXINVDSTOYLYDK-XRUXWCASSA-N 2 2 422.976 3.931 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633478 995627300 /nfs/dbraw/zinc/62/73/00/995627300.db2.gz XKXFMMGBMXSGMM-WMZOPIPTSA-N 2 2 418.994 3.770 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633478 995627304 /nfs/dbraw/zinc/62/73/04/995627304.db2.gz XKXFMMGBMXSGMM-WMZOPIPTSA-N 2 2 418.994 3.770 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474728272 995663511 /nfs/dbraw/zinc/66/35/11/995663511.db2.gz MDBZOANAZJSSIG-HNNXBMFYSA-N 2 2 409.290 3.650 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474903700 995790865 /nfs/dbraw/zinc/79/08/65/995790865.db2.gz AQEWNTWHPCQXKD-SFHVURJKSA-N 2 2 412.578 3.675 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474903700 995790872 /nfs/dbraw/zinc/79/08/72/995790872.db2.gz AQEWNTWHPCQXKD-SFHVURJKSA-N 2 2 412.578 3.675 20 0 HHADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000475146614 995952947 /nfs/dbraw/zinc/95/29/47/995952947.db2.gz XXCZUDDLSOFINL-UTKZUKDTSA-N 2 2 408.571 3.880 20 0 HHADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475173778 995971561 /nfs/dbraw/zinc/97/15/61/995971561.db2.gz JFCIRFNMGLQENQ-HSZRJFAPSA-N 2 2 421.589 3.878 20 0 HHADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475173778 995971566 /nfs/dbraw/zinc/97/15/66/995971566.db2.gz JFCIRFNMGLQENQ-HSZRJFAPSA-N 2 2 421.589 3.878 20 0 HHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475327960 996072030 /nfs/dbraw/zinc/07/20/30/996072030.db2.gz HDKZSARYXPGKRG-NNGSBXSVSA-N 2 2 413.484 3.807 20 0 HHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000475345359 996080724 /nfs/dbraw/zinc/08/07/24/996080724.db2.gz AFGYNYKVWMFPRJ-UHFFFAOYSA-N 2 2 422.451 3.700 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470820 996201143 /nfs/dbraw/zinc/20/11/43/996201143.db2.gz HEQWYXXKXMWSMR-RPBOFIJWSA-N 2 2 405.586 3.674 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470820 996201147 /nfs/dbraw/zinc/20/11/47/996201147.db2.gz HEQWYXXKXMWSMR-RPBOFIJWSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470820 996201153 /nfs/dbraw/zinc/20/11/53/996201153.db2.gz HEQWYXXKXMWSMR-RPBOFIJWSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470820 996201157 /nfs/dbraw/zinc/20/11/57/996201157.db2.gz HEQWYXXKXMWSMR-RPBOFIJWSA-N 2 2 405.586 3.674 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483518 996209930 /nfs/dbraw/zinc/20/99/30/996209930.db2.gz OBNYPPZPBUFIFD-GZGNHOFSSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483518 996209940 /nfs/dbraw/zinc/20/99/40/996209940.db2.gz OBNYPPZPBUFIFD-GZGNHOFSSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483518 996209947 /nfs/dbraw/zinc/20/99/47/996209947.db2.gz OBNYPPZPBUFIFD-GZGNHOFSSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483518 996209952 /nfs/dbraw/zinc/20/99/52/996209952.db2.gz OBNYPPZPBUFIFD-GZGNHOFSSA-N 2 2 409.549 3.790 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Br)CC(C)C)CC1 ZINC000483528324 996234242 /nfs/dbraw/zinc/23/42/42/996234242.db2.gz CUZZJMDDFCKQOM-UHFFFAOYSA-N 2 2 410.400 3.508 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Br)CC(C)C)CC1 ZINC000483528324 996234250 /nfs/dbraw/zinc/23/42/50/996234250.db2.gz CUZZJMDDFCKQOM-UHFFFAOYSA-N 2 2 410.400 3.508 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722542 996349881 /nfs/dbraw/zinc/34/98/81/996349881.db2.gz HTKVRMFNMVGOIH-WJPUGNRLSA-N 2 2 422.616 3.894 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722542 996349882 /nfs/dbraw/zinc/34/98/82/996349882.db2.gz HTKVRMFNMVGOIH-WJPUGNRLSA-N 2 2 422.616 3.894 20 0 HHADLP CC(C)Cn1ccc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc21 ZINC000483896650 996455433 /nfs/dbraw/zinc/45/54/33/996455433.db2.gz OHXPVZSMBAHHTD-UHFFFAOYSA-N 2 2 411.594 3.977 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CC1 ZINC000483946172 996483131 /nfs/dbraw/zinc/48/31/31/996483131.db2.gz VLGDVTMKKCFBPJ-UHFFFAOYSA-N 2 2 409.534 3.554 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160367 996608561 /nfs/dbraw/zinc/60/85/61/996608561.db2.gz KRQHOXZXPOAKOO-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160367 996608563 /nfs/dbraw/zinc/60/85/63/996608563.db2.gz KRQHOXZXPOAKOO-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@H](C)C3)cc1)C2 ZINC000476169844 996651335 /nfs/dbraw/zinc/65/13/35/996651335.db2.gz VTTLGLWALINRNK-ZWKOTPCHSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@H](C)C3)cc1)C2 ZINC000476169844 996651341 /nfs/dbraw/zinc/65/13/41/996651341.db2.gz VTTLGLWALINRNK-ZWKOTPCHSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@H](C)C3)cc1)CC2 ZINC000476169844 996651345 /nfs/dbraw/zinc/65/13/45/996651345.db2.gz VTTLGLWALINRNK-ZWKOTPCHSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@H](C)C3)cc1)CC2 ZINC000476169844 996651349 /nfs/dbraw/zinc/65/13/49/996651349.db2.gz VTTLGLWALINRNK-ZWKOTPCHSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000484389518 996743808 /nfs/dbraw/zinc/74/38/08/996743808.db2.gz XUDKRGDMBHRXOG-VWLOTQADSA-N 2 2 420.601 3.976 20 0 HHADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000484389518 996743810 /nfs/dbraw/zinc/74/38/10/996743810.db2.gz XUDKRGDMBHRXOG-VWLOTQADSA-N 2 2 420.601 3.976 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000476374847 996812784 /nfs/dbraw/zinc/81/27/84/996812784.db2.gz BJQLWXVOITWBHW-DHIUTWEWSA-N 2 2 421.520 3.812 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484617919 996952368 /nfs/dbraw/zinc/95/23/68/996952368.db2.gz KWLXPVOLZSOURJ-YZUZCNPQSA-N 2 2 409.574 3.806 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484617919 996952382 /nfs/dbraw/zinc/95/23/82/996952382.db2.gz KWLXPVOLZSOURJ-YZUZCNPQSA-N 2 2 409.574 3.806 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000476816726 997374150 /nfs/dbraw/zinc/37/41/50/997374150.db2.gz GHIBTNVMYVMSKZ-AWEZNQCLSA-N 2 2 402.366 3.799 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000485108090 997488735 /nfs/dbraw/zinc/48/87/35/997488735.db2.gz ORYTWGQXSZIZMM-UHFFFAOYSA-N 2 2 415.607 3.663 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000485108090 997488739 /nfs/dbraw/zinc/48/87/39/997488739.db2.gz ORYTWGQXSZIZMM-UHFFFAOYSA-N 2 2 415.607 3.663 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000476957234 997572488 /nfs/dbraw/zinc/57/24/88/997572488.db2.gz ZNRFXJLFJYVXRR-HXUWFJFHSA-N 2 2 412.622 3.745 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980648 997599935 /nfs/dbraw/zinc/59/99/35/997599935.db2.gz MMAHYYJKBGCYSN-QIJUGHKUSA-N 2 2 415.940 3.863 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980648 997599945 /nfs/dbraw/zinc/59/99/45/997599945.db2.gz MMAHYYJKBGCYSN-QIJUGHKUSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980648 997599956 /nfs/dbraw/zinc/59/99/56/997599956.db2.gz MMAHYYJKBGCYSN-QIJUGHKUSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980648 997599964 /nfs/dbraw/zinc/59/99/64/997599964.db2.gz MMAHYYJKBGCYSN-QIJUGHKUSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982602 997603974 /nfs/dbraw/zinc/60/39/74/997603974.db2.gz RYTGJUBREMNEGH-WMQCIHAUSA-N 2 2 403.929 3.891 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000476982602 997603978 /nfs/dbraw/zinc/60/39/78/997603978.db2.gz RYTGJUBREMNEGH-WMQCIHAUSA-N 2 2 403.929 3.891 20 0 HHADLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(OC)c1 ZINC000476991660 997618585 /nfs/dbraw/zinc/61/85/85/997618585.db2.gz ZBJLRBIHSXKHMR-GOSISDBHSA-N 2 2 403.567 3.619 20 0 HHADLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(OC)c1 ZINC000476991660 997618589 /nfs/dbraw/zinc/61/85/89/997618589.db2.gz ZBJLRBIHSXKHMR-GOSISDBHSA-N 2 2 403.567 3.619 20 0 HHADLP O=c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045905 997683229 /nfs/dbraw/zinc/68/32/29/997683229.db2.gz BXOMMKRKXZGZBM-DEOSSOPVSA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045905 997683232 /nfs/dbraw/zinc/68/32/32/997683232.db2.gz BXOMMKRKXZGZBM-DEOSSOPVSA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045905 997683239 /nfs/dbraw/zinc/68/32/39/997683239.db2.gz BXOMMKRKXZGZBM-DEOSSOPVSA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045905 997683242 /nfs/dbraw/zinc/68/32/42/997683242.db2.gz BXOMMKRKXZGZBM-DEOSSOPVSA-N 2 2 422.960 3.836 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000485295429 997699815 /nfs/dbraw/zinc/69/98/15/997699815.db2.gz YENNOPWXCNLGCM-FQEVSTJZSA-N 2 2 409.578 3.570 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000485302797 997708904 /nfs/dbraw/zinc/70/89/04/997708904.db2.gz XJINKJYDHDOIBW-LEWJYISDSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000485302797 997708913 /nfs/dbraw/zinc/70/89/13/997708913.db2.gz XJINKJYDHDOIBW-LEWJYISDSA-N 2 2 423.605 3.959 20 0 HHADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187385 997856578 /nfs/dbraw/zinc/85/65/78/997856578.db2.gz LEPKDNNFICCLTI-DHIUTWEWSA-N 2 2 406.574 3.779 20 0 HHADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477187385 997856601 /nfs/dbraw/zinc/85/66/01/997856601.db2.gz LEPKDNNFICCLTI-DHIUTWEWSA-N 2 2 406.574 3.779 20 0 HHADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251374 997927044 /nfs/dbraw/zinc/92/70/44/997927044.db2.gz PNMJBASLLMLYBZ-PXNSSMCTSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251374 997927057 /nfs/dbraw/zinc/92/70/57/997927057.db2.gz PNMJBASLLMLYBZ-PXNSSMCTSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251374 997927071 /nfs/dbraw/zinc/92/70/71/997927071.db2.gz PNMJBASLLMLYBZ-PXNSSMCTSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251374 997927084 /nfs/dbraw/zinc/92/70/84/997927084.db2.gz PNMJBASLLMLYBZ-PXNSSMCTSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251379 997927214 /nfs/dbraw/zinc/92/72/14/997927214.db2.gz PNMJBASLLMLYBZ-YLJYHZDGSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251379 997927226 /nfs/dbraw/zinc/92/72/26/997927226.db2.gz PNMJBASLLMLYBZ-YLJYHZDGSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251379 997927243 /nfs/dbraw/zinc/92/72/43/997927243.db2.gz PNMJBASLLMLYBZ-YLJYHZDGSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251379 997927253 /nfs/dbraw/zinc/92/72/53/997927253.db2.gz PNMJBASLLMLYBZ-YLJYHZDGSA-N 2 2 424.992 3.863 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)cc1 ZINC000485504421 997961324 /nfs/dbraw/zinc/96/13/24/997961324.db2.gz LHXYMNLIXHCLEF-IRLDBZIGSA-N 2 2 409.578 3.530 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477288693 997972441 /nfs/dbraw/zinc/97/24/41/997972441.db2.gz JLYRKHWCJMTZOR-LJQANCHMSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477288693 997972449 /nfs/dbraw/zinc/97/24/49/997972449.db2.gz JLYRKHWCJMTZOR-LJQANCHMSA-N 2 2 410.965 3.616 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000477288486 997972902 /nfs/dbraw/zinc/97/29/02/997972902.db2.gz HJTFNESSZAZIRO-PMACEKPBSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000477288486 997972913 /nfs/dbraw/zinc/97/29/13/997972913.db2.gz HJTFNESSZAZIRO-PMACEKPBSA-N 2 2 422.976 3.713 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477511742 998232598 /nfs/dbraw/zinc/23/25/98/998232598.db2.gz WPQITDYJYYVYIH-UZLBHIALSA-N 2 2 406.933 3.998 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477511742 998232608 /nfs/dbraw/zinc/23/26/08/998232608.db2.gz WPQITDYJYYVYIH-UZLBHIALSA-N 2 2 406.933 3.998 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477969592 998689427 /nfs/dbraw/zinc/68/94/27/998689427.db2.gz ROHKUYQKVGRCCP-MHJFOBGBSA-N 2 2 420.395 3.719 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486273091 998690101 /nfs/dbraw/zinc/69/01/01/998690101.db2.gz CJOIDYAHZCEDSM-WIYYLYMNSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486273091 998690103 /nfs/dbraw/zinc/69/01/03/998690103.db2.gz CJOIDYAHZCEDSM-WIYYLYMNSA-N 2 2 421.520 3.721 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000478204880 998821292 /nfs/dbraw/zinc/82/12/92/998821292.db2.gz ZNHFESSIUVVNGV-WMZHIEFXSA-N 2 2 409.578 3.871 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000486757652 998926189 /nfs/dbraw/zinc/92/61/89/998926189.db2.gz BFBZYENVZQMOIT-SDHSZQHLSA-N 2 2 424.633 3.913 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478417246 998946946 /nfs/dbraw/zinc/94/69/46/998946946.db2.gz MLXSYALBFZNMJG-MOPGFXCFSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478417246 998946948 /nfs/dbraw/zinc/94/69/48/998946948.db2.gz MLXSYALBFZNMJG-MOPGFXCFSA-N 2 2 410.965 3.646 20 0 HHADLP CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000486926754 999009183 /nfs/dbraw/zinc/00/91/83/999009183.db2.gz PYRMQFJWJLRIEW-UHFFFAOYSA-N 2 2 423.989 3.568 20 0 HHADLP CCCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000486926754 999009186 /nfs/dbraw/zinc/00/91/86/999009186.db2.gz PYRMQFJWJLRIEW-UHFFFAOYSA-N 2 2 423.989 3.568 20 0 HHADLP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487108594 999064479 /nfs/dbraw/zinc/06/44/79/999064479.db2.gz LJWIUMNKZBGMCK-CRAIPNDOSA-N 2 2 422.495 3.904 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000487125841 999070725 /nfs/dbraw/zinc/07/07/25/999070725.db2.gz JNBVJIFSQDJZHK-PZJWPPBQSA-N 2 2 417.504 3.685 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000487125841 999070780 /nfs/dbraw/zinc/07/07/80/999070780.db2.gz JNBVJIFSQDJZHK-PZJWPPBQSA-N 2 2 417.504 3.685 20 0 HHADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000478977566 999231406 /nfs/dbraw/zinc/23/14/06/999231406.db2.gz RTLIAJAKGBWJHA-HXUWFJFHSA-N 2 2 416.363 3.751 20 0 HHADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000487770749 999283433 /nfs/dbraw/zinc/28/34/33/999283433.db2.gz JDRHOKUUIOVCHJ-IBGZPJMESA-N 2 2 408.384 3.564 20 0 HHADLP C[C@@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487932304 999320174 /nfs/dbraw/zinc/32/01/74/999320174.db2.gz RBWPMUNPUIPRFA-VWLOTQADSA-N 2 2 417.557 3.785 20 0 HHADLP C[C@@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000487932304 999320179 /nfs/dbraw/zinc/32/01/79/999320179.db2.gz RBWPMUNPUIPRFA-VWLOTQADSA-N 2 2 417.557 3.785 20 0 HHADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000479332469 999389558 /nfs/dbraw/zinc/38/95/58/999389558.db2.gz FNAYQILORXJATP-XMMPIXPASA-N 2 2 423.601 3.879 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786663 999591944 /nfs/dbraw/zinc/59/19/44/999591944.db2.gz SUGPKQAAEBNQLR-LEWJYISDSA-N 2 2 408.537 3.521 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000479786663 999591949 /nfs/dbraw/zinc/59/19/49/999591949.db2.gz SUGPKQAAEBNQLR-LEWJYISDSA-N 2 2 408.537 3.521 20 0 HHADLP COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952035 999661036 /nfs/dbraw/zinc/66/10/36/999661036.db2.gz WBFBZLWQBUXEJI-YKSBVNFPSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952035 999661038 /nfs/dbraw/zinc/66/10/38/999661038.db2.gz WBFBZLWQBUXEJI-YKSBVNFPSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952035 999661040 /nfs/dbraw/zinc/66/10/40/999661040.db2.gz WBFBZLWQBUXEJI-YKSBVNFPSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952035 999661041 /nfs/dbraw/zinc/66/10/41/999661041.db2.gz WBFBZLWQBUXEJI-YKSBVNFPSA-N 2 2 419.569 3.564 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000480084194 999712867 /nfs/dbraw/zinc/71/28/67/999712867.db2.gz PIGVXICSTSBQII-AMDXRBSFSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000480084194 999712870 /nfs/dbraw/zinc/71/28/70/999712870.db2.gz PIGVXICSTSBQII-AMDXRBSFSA-N 2 2 408.590 3.727 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489244305 999729106 /nfs/dbraw/zinc/72/91/06/999729106.db2.gz ZRDYPLXCLUBNNB-NRFANRHFSA-N 2 2 405.546 3.615 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000489244305 999729109 /nfs/dbraw/zinc/72/91/09/999729109.db2.gz ZRDYPLXCLUBNNB-NRFANRHFSA-N 2 2 405.546 3.615 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489284244 999736831 /nfs/dbraw/zinc/73/68/31/999736831.db2.gz AUFREYQWWNODCU-JOCHJYFZSA-N 2 2 410.537 3.955 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000489284244 999736832 /nfs/dbraw/zinc/73/68/32/999736832.db2.gz AUFREYQWWNODCU-JOCHJYFZSA-N 2 2 410.537 3.955 20 0 HHADLP Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000489344407 999749414 /nfs/dbraw/zinc/74/94/14/999749414.db2.gz JLNCYSJAPWOWNO-UHFFFAOYSA-N 2 2 415.626 3.865 20 0 HHADLP Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489344407 999749415 /nfs/dbraw/zinc/74/94/15/999749415.db2.gz JLNCYSJAPWOWNO-UHFFFAOYSA-N 2 2 415.626 3.865 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccc(N4CCOCC4)c3)CC2)c1 ZINC000480237707 999753410 /nfs/dbraw/zinc/75/34/10/999753410.db2.gz YVMUFOZYXBVTHG-HSZRJFAPSA-N 2 2 422.617 3.695 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000489420550 999763903 /nfs/dbraw/zinc/76/39/03/999763903.db2.gz HIILTEOHUBROTE-SFHVURJKSA-N 2 2 412.603 3.655 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000489420550 999763905 /nfs/dbraw/zinc/76/39/05/999763905.db2.gz HIILTEOHUBROTE-SFHVURJKSA-N 2 2 412.603 3.655 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000480597492 999837000 /nfs/dbraw/zinc/83/70/00/999837000.db2.gz WMXADMGKERJGRV-WMZHIEFXSA-N 2 2 405.546 3.730 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480629227 999845043 /nfs/dbraw/zinc/84/50/43/999845043.db2.gz CFUSJDSFNRNGPL-MRXNPFEDSA-N 2 2 405.464 3.944 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000490067485 999888224 /nfs/dbraw/zinc/88/82/24/999888224.db2.gz OESYRKNCEABHHF-HSZRJFAPSA-N 2 2 424.614 3.750 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000490067485 999888225 /nfs/dbraw/zinc/88/82/25/999888225.db2.gz OESYRKNCEABHHF-HSZRJFAPSA-N 2 2 424.614 3.750 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)ccn2)CC1 ZINC000490131207 999897745 /nfs/dbraw/zinc/89/77/45/999897745.db2.gz URLAHFRJLYZGMO-UHFFFAOYSA-N 2 2 408.496 3.991 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490152350 999900901 /nfs/dbraw/zinc/90/09/01/999900901.db2.gz MWNNACGOOIUILI-GOTSBHOMSA-N 2 2 423.605 3.573 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490152350 999900902 /nfs/dbraw/zinc/90/09/02/999900902.db2.gz MWNNACGOOIUILI-GOTSBHOMSA-N 2 2 423.605 3.573 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237637 999918115 /nfs/dbraw/zinc/91/81/15/999918115.db2.gz FLWMBSCICNYWMO-FCHUYYIVSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237637 999918117 /nfs/dbraw/zinc/91/81/17/999918117.db2.gz FLWMBSCICNYWMO-FCHUYYIVSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237637 999918118 /nfs/dbraw/zinc/91/81/18/999918118.db2.gz FLWMBSCICNYWMO-FCHUYYIVSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237637 999918119 /nfs/dbraw/zinc/91/81/19/999918119.db2.gz FLWMBSCICNYWMO-FCHUYYIVSA-N 2 2 422.564 3.864 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490248665 999921258 /nfs/dbraw/zinc/92/12/58/999921258.db2.gz SRVVQAQYXCCELW-UXHICEINSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490248665 999921259 /nfs/dbraw/zinc/92/12/59/999921259.db2.gz SRVVQAQYXCCELW-UXHICEINSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544662 999975161 /nfs/dbraw/zinc/97/51/61/999975161.db2.gz MCUKXLRPGYSCBZ-ATZDWAIDSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544662 999975162 /nfs/dbraw/zinc/97/51/62/999975162.db2.gz MCUKXLRPGYSCBZ-ATZDWAIDSA-N 2 2 404.352 3.681 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998358 1000031954 /nfs/dbraw/zinc/03/19/54/1000031954.db2.gz UPZGOFWFXZFXRW-CZSZKKDXSA-N 2 2 420.601 3.638 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998358 1000031957 /nfs/dbraw/zinc/03/19/57/1000031957.db2.gz UPZGOFWFXZFXRW-CZSZKKDXSA-N 2 2 420.601 3.638 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000491022098 1000034938 /nfs/dbraw/zinc/03/49/38/1000034938.db2.gz OXPGFGTUPVFODD-IIBYNOLFSA-N 2 2 420.370 3.903 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1Cl ZINC000491449846 1000076018 /nfs/dbraw/zinc/07/60/18/1000076018.db2.gz YHILHKWCACEGSW-KRWDZBQOSA-N 2 2 419.863 3.891 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000491981670 1000103546 /nfs/dbraw/zinc/10/35/46/1000103546.db2.gz VNCFJBLMFGVTKI-IBGZPJMESA-N 2 2 418.545 3.880 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000491981670 1000103547 /nfs/dbraw/zinc/10/35/47/1000103547.db2.gz VNCFJBLMFGVTKI-IBGZPJMESA-N 2 2 418.545 3.880 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1cccs1 ZINC000492162193 1000112768 /nfs/dbraw/zinc/11/27/68/1000112768.db2.gz VDYOSUMGOAQMKV-FXAWDEMLSA-N 2 2 410.547 3.593 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1c1cccs1 ZINC000492162193 1000112771 /nfs/dbraw/zinc/11/27/71/1000112771.db2.gz VDYOSUMGOAQMKV-FXAWDEMLSA-N 2 2 410.547 3.593 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492207316 1000115179 /nfs/dbraw/zinc/11/51/79/1000115179.db2.gz FGTLMYWYQBYQJZ-NRFANRHFSA-N 2 2 406.534 3.605 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492207316 1000115180 /nfs/dbraw/zinc/11/51/80/1000115180.db2.gz FGTLMYWYQBYQJZ-NRFANRHFSA-N 2 2 406.534 3.605 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038434 1000155143 /nfs/dbraw/zinc/15/51/43/1000155143.db2.gz VOILXECLKQOYQU-HHHXNRCGSA-N 2 2 417.597 3.909 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c2ccccc2C1 ZINC000493276450 1000166516 /nfs/dbraw/zinc/16/65/16/1000166516.db2.gz JQUPHMUNYIKBNU-CJFMBICVSA-N 2 2 421.585 3.970 20 0 HHADLP COC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000493897416 1000204315 /nfs/dbraw/zinc/20/43/15/1000204315.db2.gz NYISCZCDDKNOAH-JOCHJYFZSA-N 2 2 404.938 3.528 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916712 1000212617 /nfs/dbraw/zinc/21/26/17/1000212617.db2.gz MLAVKXKQGXXIDU-IAGOWNOFSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916712 1000212622 /nfs/dbraw/zinc/21/26/22/1000212622.db2.gz MLAVKXKQGXXIDU-IAGOWNOFSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916712 1000212629 /nfs/dbraw/zinc/21/26/29/1000212629.db2.gz MLAVKXKQGXXIDU-IAGOWNOFSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916712 1000212635 /nfs/dbraw/zinc/21/26/35/1000212635.db2.gz MLAVKXKQGXXIDU-IAGOWNOFSA-N 2 2 405.612 3.713 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c2cccs2)CC1 ZINC000504526059 1000251278 /nfs/dbraw/zinc/25/12/78/1000251278.db2.gz PFHFABMKNCYRHV-LJQANCHMSA-N 2 2 415.607 3.596 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494275892 1000405499 /nfs/dbraw/zinc/40/54/99/1000405499.db2.gz CYGKBIATUAPTBL-UHFFFAOYSA-N 2 2 406.349 3.999 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494275892 1000405502 /nfs/dbraw/zinc/40/55/02/1000405502.db2.gz CYGKBIATUAPTBL-UHFFFAOYSA-N 2 2 406.349 3.999 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CC2)CC1 ZINC000505151344 1000580149 /nfs/dbraw/zinc/58/01/49/1000580149.db2.gz PVIUVULFVURDGO-XPPIMPSXSA-N 2 2 415.647 3.936 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333515 1000708086 /nfs/dbraw/zinc/70/80/86/1000708086.db2.gz NUGKPJZWFUZDQX-FXAWDEMLSA-N 2 2 422.411 3.776 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333515 1000708089 /nfs/dbraw/zinc/70/80/89/1000708089.db2.gz NUGKPJZWFUZDQX-FXAWDEMLSA-N 2 2 422.411 3.776 20 0 HHADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505339982 1000712526 /nfs/dbraw/zinc/71/25/26/1000712526.db2.gz QTTIQTCFRZDKRK-XLIONFOSSA-N 2 2 422.411 3.776 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000495607764 1001052135 /nfs/dbraw/zinc/05/21/35/1001052135.db2.gz GVYYNFLWGDAUSO-INIZCTEOSA-N 2 2 421.463 3.824 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774176 1001075249 /nfs/dbraw/zinc/07/52/49/1001075249.db2.gz HSXYEXBWERLPBI-DQLDELGASA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774176 1001075256 /nfs/dbraw/zinc/07/52/56/1001075256.db2.gz HSXYEXBWERLPBI-DQLDELGASA-N 2 2 407.549 3.864 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000505999341 1001153337 /nfs/dbraw/zinc/15/33/37/1001153337.db2.gz CHJLUNONNUUELK-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000505999341 1001153342 /nfs/dbraw/zinc/15/33/42/1001153342.db2.gz CHJLUNONNUUELK-QFIPXVFZSA-N 2 2 424.495 3.705 20 0 HHADLP Cc1sc2nc([C@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)[nH]c(=O)c2c1C ZINC000506005637 1001156875 /nfs/dbraw/zinc/15/68/75/1001156875.db2.gz AVIILRXAJQALDV-INIZCTEOSA-N 2 2 418.607 3.899 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)Cc3ccccc3F)cn2c1 ZINC000496355289 1001164860 /nfs/dbraw/zinc/16/48/60/1001164860.db2.gz GZQIDTDDMKCUEI-UHFFFAOYSA-N 2 2 414.550 3.605 20 0 HHADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000506047053 1001189235 /nfs/dbraw/zinc/18/92/35/1001189235.db2.gz GRAQYQVEEPQEPX-UHFFFAOYSA-N 2 2 414.377 3.756 20 0 HHADLP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1cccs1 ZINC000506050775 1001191314 /nfs/dbraw/zinc/19/13/14/1001191314.db2.gz FGYSHSMYZXFVHL-JOCHJYFZSA-N 2 2 421.651 3.776 20 0 HHADLP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506056215 1001195992 /nfs/dbraw/zinc/19/59/92/1001195992.db2.gz KHQZBPAGQGVQGC-UHFFFAOYSA-N 2 2 401.595 3.747 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497474963 1001386166 /nfs/dbraw/zinc/38/61/66/1001386166.db2.gz VXGRLXKIHHFQHA-DHIUTWEWSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497474963 1001386170 /nfs/dbraw/zinc/38/61/70/1001386170.db2.gz VXGRLXKIHHFQHA-DHIUTWEWSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497474965 1001386262 /nfs/dbraw/zinc/38/62/62/1001386262.db2.gz VXGRLXKIHHFQHA-PKTZIBPZSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497474965 1001386264 /nfs/dbraw/zinc/38/62/64/1001386264.db2.gz VXGRLXKIHHFQHA-PKTZIBPZSA-N 2 2 413.512 3.738 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000497500749 1001404254 /nfs/dbraw/zinc/40/42/54/1001404254.db2.gz XRUDSZZSLGWBPT-GURQWTFNSA-N 2 2 419.013 3.527 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000497500749 1001404269 /nfs/dbraw/zinc/40/42/69/1001404269.db2.gz XRUDSZZSLGWBPT-GURQWTFNSA-N 2 2 419.013 3.527 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472701 1001428458 /nfs/dbraw/zinc/42/84/58/1001428458.db2.gz GPDFSVYTIRTLPS-IRFCIJBXSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472701 1001428461 /nfs/dbraw/zinc/42/84/61/1001428461.db2.gz GPDFSVYTIRTLPS-IRFCIJBXSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472701 1001428463 /nfs/dbraw/zinc/42/84/63/1001428463.db2.gz GPDFSVYTIRTLPS-IRFCIJBXSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472701 1001428467 /nfs/dbraw/zinc/42/84/67/1001428467.db2.gz GPDFSVYTIRTLPS-IRFCIJBXSA-N 2 2 419.585 3.768 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919647 1001593577 /nfs/dbraw/zinc/59/35/77/1001593577.db2.gz UHLQVZWGBZIKJE-UYAOXDASSA-N 2 2 413.541 3.807 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000506919647 1001593582 /nfs/dbraw/zinc/59/35/82/1001593582.db2.gz UHLQVZWGBZIKJE-UYAOXDASSA-N 2 2 413.541 3.807 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166248 1001671403 /nfs/dbraw/zinc/67/14/03/1001671403.db2.gz NCUSLXAHQXNWCL-PWIZWCRZSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166248 1001671405 /nfs/dbraw/zinc/67/14/05/1001671405.db2.gz NCUSLXAHQXNWCL-PWIZWCRZSA-N 2 2 422.976 3.742 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000507061390 1001787073 /nfs/dbraw/zinc/78/70/73/1001787073.db2.gz IMHMUXVFHXKITR-UHFFFAOYSA-N 2 2 402.627 3.703 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000507061390 1001787085 /nfs/dbraw/zinc/78/70/85/1001787085.db2.gz IMHMUXVFHXKITR-UHFFFAOYSA-N 2 2 402.627 3.703 20 0 HHADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507106914 1001813591 /nfs/dbraw/zinc/81/35/91/1001813591.db2.gz XVRSIUWVLJVFIP-FYYLOGMGSA-N 2 2 421.589 3.946 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000498386646 1001816679 /nfs/dbraw/zinc/81/66/79/1001816679.db2.gz QOITYKAKGLNVQY-SMIHKQSGSA-N 2 2 424.633 3.914 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000498413964 1001842670 /nfs/dbraw/zinc/84/26/70/1001842670.db2.gz GSRHQCCNCKFVRR-UHFFFAOYSA-N 2 2 410.562 3.537 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000498413964 1001842696 /nfs/dbraw/zinc/84/26/96/1001842696.db2.gz GSRHQCCNCKFVRR-UHFFFAOYSA-N 2 2 410.562 3.537 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[NH+]1CCCCC1 ZINC000507160941 1001848946 /nfs/dbraw/zinc/84/89/46/1001848946.db2.gz OADCMEOCBUWUMT-CEMLEFRQSA-N 2 2 422.573 3.506 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000498486908 1001913437 /nfs/dbraw/zinc/91/34/37/1001913437.db2.gz BODHYEOBSYNOAW-SFTDATJTSA-N 2 2 416.953 3.595 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000498486908 1001913442 /nfs/dbraw/zinc/91/34/42/1001913442.db2.gz BODHYEOBSYNOAW-SFTDATJTSA-N 2 2 416.953 3.595 20 0 HHADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577882 1001991714 /nfs/dbraw/zinc/99/17/14/1001991714.db2.gz AIWUCJPHMNJXBK-DNVJHFABSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577882 1001991722 /nfs/dbraw/zinc/99/17/22/1001991722.db2.gz AIWUCJPHMNJXBK-DNVJHFABSA-N 2 2 400.611 3.511 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH+]c2)CC1 ZINC000507510135 1002120396 /nfs/dbraw/zinc/12/03/96/1002120396.db2.gz MFAJLEHCUPPQCO-FTBPSBKWSA-N 3 2 419.617 3.935 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[nH+]c2)CC1 ZINC000507510135 1002120405 /nfs/dbraw/zinc/12/04/05/1002120405.db2.gz MFAJLEHCUPPQCO-FTBPSBKWSA-N 3 2 419.617 3.935 20 0 HHADLP C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498774041 1002160413 /nfs/dbraw/zinc/16/04/13/1002160413.db2.gz DDLBBYDXAUZPBJ-FQEVSTJZSA-N 2 2 409.574 3.605 20 0 HHADLP C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498774041 1002160416 /nfs/dbraw/zinc/16/04/16/1002160416.db2.gz DDLBBYDXAUZPBJ-FQEVSTJZSA-N 2 2 409.574 3.605 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000507560665 1002165730 /nfs/dbraw/zinc/16/57/30/1002165730.db2.gz OVPUIDGELRGQKE-OAQYLSRUSA-N 2 2 415.626 3.867 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000498783702 1002169212 /nfs/dbraw/zinc/16/92/12/1002169212.db2.gz QHGQDRLZWIJCRI-UHFFFAOYSA-N 2 2 400.394 3.801 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000498783702 1002169219 /nfs/dbraw/zinc/16/92/19/1002169219.db2.gz QHGQDRLZWIJCRI-UHFFFAOYSA-N 2 2 400.394 3.801 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507616152 1002221353 /nfs/dbraw/zinc/22/13/53/1002221353.db2.gz BUGZPOHTFFKUPF-UZLBHIALSA-N 2 2 402.477 3.936 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000508046685 1002568580 /nfs/dbraw/zinc/56/85/80/1002568580.db2.gz LGNMIQNXIKBDJC-QHCPKHFHSA-N 2 2 401.595 3.678 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000508046685 1002568609 /nfs/dbraw/zinc/56/86/09/1002568609.db2.gz LGNMIQNXIKBDJC-QHCPKHFHSA-N 2 2 401.595 3.678 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2/C=C\c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000508305256 1002812145 /nfs/dbraw/zinc/81/21/45/1002812145.db2.gz KOJFECSTSVYTHN-FRHQNKJESA-N 2 2 410.606 3.824 20 0 HHADLP CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508548509 1003022794 /nfs/dbraw/zinc/02/27/94/1003022794.db2.gz YTBNEBYNHPXNLU-UHFFFAOYSA-N 2 2 423.561 3.730 20 0 HHADLP CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508548509 1003022782 /nfs/dbraw/zinc/02/27/82/1003022782.db2.gz YTBNEBYNHPXNLU-UHFFFAOYSA-N 2 2 423.561 3.730 20 0 HHADLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000508619212 1003072978 /nfs/dbraw/zinc/07/29/78/1003072978.db2.gz LWYGIASYTNDEHA-MRXNPFEDSA-N 2 2 405.340 3.605 20 0 HHADLP CC(C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000508629377 1003079932 /nfs/dbraw/zinc/07/99/32/1003079932.db2.gz JZEHKKOBZUAKIP-UHFFFAOYSA-N 2 2 421.372 3.952 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801489 1003138011 /nfs/dbraw/zinc/13/80/11/1003138011.db2.gz UJRGKCMOEDLGRK-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801489 1003138018 /nfs/dbraw/zinc/13/80/18/1003138018.db2.gz UJRGKCMOEDLGRK-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP CCN(CC)C(=O)CCC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509006842 1003477786 /nfs/dbraw/zinc/47/77/86/1003477786.db2.gz MYGIIRUAITVUHS-UHFFFAOYSA-N 2 2 414.638 3.559 20 0 HHADLP O=C(NCCC[NH+]1CCCC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509354730 1003784161 /nfs/dbraw/zinc/78/41/61/1003784161.db2.gz AGCJKKXZRCRMGY-UHFFFAOYSA-N 2 2 417.557 3.884 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000509420937 1003849375 /nfs/dbraw/zinc/84/93/75/1003849375.db2.gz YGEYWZHSKLQUHG-NRFANRHFSA-N 2 2 424.589 3.606 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000509420937 1003849386 /nfs/dbraw/zinc/84/93/86/1003849386.db2.gz YGEYWZHSKLQUHG-NRFANRHFSA-N 2 2 424.589 3.606 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000509428901 1003854915 /nfs/dbraw/zinc/85/49/15/1003854915.db2.gz FLZRCVCEWVGZIC-HXUWFJFHSA-N 2 2 424.589 3.735 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000509428901 1003854925 /nfs/dbraw/zinc/85/49/25/1003854925.db2.gz FLZRCVCEWVGZIC-HXUWFJFHSA-N 2 2 424.589 3.735 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 ZINC000509428705 1003855381 /nfs/dbraw/zinc/85/53/81/1003855381.db2.gz FLZRCVCEWVGZIC-FQEVSTJZSA-N 2 2 424.589 3.735 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 ZINC000509428705 1003855395 /nfs/dbraw/zinc/85/53/95/1003855395.db2.gz FLZRCVCEWVGZIC-FQEVSTJZSA-N 2 2 424.589 3.735 20 0 HHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000511992781 1003940879 /nfs/dbraw/zinc/94/08/79/1003940879.db2.gz VSNRIPVBOICPPB-AAEUAGOBSA-N 2 2 400.832 3.877 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000509591052 1003965725 /nfs/dbraw/zinc/96/57/25/1003965725.db2.gz OHSCYPGQGPQHMS-ICSRJNTNSA-N 2 2 401.555 3.807 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cn2c1 ZINC000500850833 1004001472 /nfs/dbraw/zinc/00/14/72/1004001472.db2.gz BTKGWADIBJROGG-UHFFFAOYSA-N 2 2 414.619 3.991 20 0 HHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154084 1004062391 /nfs/dbraw/zinc/06/23/91/1004062391.db2.gz WYHILPOICLMKMX-OFVILXPXSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000512154084 1004062399 /nfs/dbraw/zinc/06/23/99/1004062399.db2.gz WYHILPOICLMKMX-OFVILXPXSA-N 2 2 421.585 3.608 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209414 1004111056 /nfs/dbraw/zinc/11/10/56/1004111056.db2.gz ATZALPMWHPVEFY-FGZHOGPDSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209414 1004111059 /nfs/dbraw/zinc/11/10/59/1004111059.db2.gz ATZALPMWHPVEFY-FGZHOGPDSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209414 1004111061 /nfs/dbraw/zinc/11/10/61/1004111061.db2.gz ATZALPMWHPVEFY-FGZHOGPDSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209414 1004111063 /nfs/dbraw/zinc/11/10/63/1004111063.db2.gz ATZALPMWHPVEFY-FGZHOGPDSA-N 2 2 413.606 3.774 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccco1 ZINC000501007486 1004112532 /nfs/dbraw/zinc/11/25/32/1004112532.db2.gz MWONXWILIZJPGG-MOPGFXCFSA-N 2 2 404.942 3.672 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000501034650 1004137639 /nfs/dbraw/zinc/13/76/39/1004137639.db2.gz HOORGOXINRBDIK-HXUWFJFHSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237252 1004138767 /nfs/dbraw/zinc/13/87/67/1004138767.db2.gz OKFFCCPBMWLUBJ-CPJSRVTESA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237252 1004138775 /nfs/dbraw/zinc/13/87/75/1004138775.db2.gz OKFFCCPBMWLUBJ-CPJSRVTESA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237252 1004138782 /nfs/dbraw/zinc/13/87/82/1004138782.db2.gz OKFFCCPBMWLUBJ-CPJSRVTESA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237252 1004138793 /nfs/dbraw/zinc/13/87/93/1004138793.db2.gz OKFFCCPBMWLUBJ-CPJSRVTESA-N 2 2 409.549 3.943 20 0 HHADLP O=C(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244406 1004146598 /nfs/dbraw/zinc/14/65/98/1004146598.db2.gz NSASEAGOJKMRAC-RUZDIDTESA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244406 1004146604 /nfs/dbraw/zinc/14/66/04/1004146604.db2.gz NSASEAGOJKMRAC-RUZDIDTESA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244406 1004146614 /nfs/dbraw/zinc/14/66/14/1004146614.db2.gz NSASEAGOJKMRAC-RUZDIDTESA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244406 1004146622 /nfs/dbraw/zinc/14/66/22/1004146622.db2.gz NSASEAGOJKMRAC-RUZDIDTESA-N 2 2 406.526 3.629 20 0 HHADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509851854 1004148645 /nfs/dbraw/zinc/14/86/45/1004148645.db2.gz PIVORINRTVIOOM-QHGAOEGBSA-N 2 2 407.986 3.610 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501049316 1004150705 /nfs/dbraw/zinc/15/07/05/1004150705.db2.gz BGTYFSDNLRMGQY-JTDSTZFVSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501049316 1004150709 /nfs/dbraw/zinc/15/07/09/1004150709.db2.gz BGTYFSDNLRMGQY-JTDSTZFVSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCC1)c1ccccc1 ZINC000512262417 1004164694 /nfs/dbraw/zinc/16/46/94/1004164694.db2.gz PWLSTEHOPVIZHM-KCZVDYSFSA-N 2 2 406.574 3.934 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509902867 1004195160 /nfs/dbraw/zinc/19/51/60/1004195160.db2.gz WWLGOQXDWSMROD-KKXNLOMOSA-N 2 2 407.986 3.610 20 0 HHADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509902867 1004195169 /nfs/dbraw/zinc/19/51/69/1004195169.db2.gz WWLGOQXDWSMROD-KKXNLOMOSA-N 2 2 407.986 3.610 20 0 HHADLP COC(=O)c1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213168 1004284027 /nfs/dbraw/zinc/28/40/27/1004284027.db2.gz YQLDAKLSMFEKGB-MBSDFSHPSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213168 1004284035 /nfs/dbraw/zinc/28/40/35/1004284035.db2.gz YQLDAKLSMFEKGB-MBSDFSHPSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213168 1004284042 /nfs/dbraw/zinc/28/40/42/1004284042.db2.gz YQLDAKLSMFEKGB-MBSDFSHPSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213168 1004284048 /nfs/dbraw/zinc/28/40/48/1004284048.db2.gz YQLDAKLSMFEKGB-MBSDFSHPSA-N 2 2 424.541 3.745 20 0 HHADLP Fc1cc2cccnc2c(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512464210 1004323138 /nfs/dbraw/zinc/32/31/38/1004323138.db2.gz WHSWQZSGIGYXNZ-XMMPIXPASA-N 2 2 404.533 3.766 20 0 HHADLP Fc1cc2cccnc2c(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512464210 1004323148 /nfs/dbraw/zinc/32/31/48/1004323148.db2.gz WHSWQZSGIGYXNZ-XMMPIXPASA-N 2 2 404.533 3.766 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+]2CCCC2)o1 ZINC000510148393 1004357866 /nfs/dbraw/zinc/35/78/66/1004357866.db2.gz KYTINSDZXVORTI-GOSISDBHSA-N 2 2 417.579 3.989 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000501399087 1004392016 /nfs/dbraw/zinc/39/20/16/1004392016.db2.gz MNULTEDNTPBIPD-PMACEKPBSA-N 2 2 416.610 3.882 20 0 HHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000510215609 1004400523 /nfs/dbraw/zinc/40/05/23/1004400523.db2.gz WFZRRLCTMNZNKL-UHFFFAOYSA-N 2 2 409.578 3.637 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000512669024 1004478853 /nfs/dbraw/zinc/47/88/53/1004478853.db2.gz PRFKQROFCPQILK-VXKWHMMOSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000510330556 1004486076 /nfs/dbraw/zinc/48/60/76/1004486076.db2.gz HBRNOBKWTWGYIF-KMFTYDHNSA-N 2 2 422.013 3.856 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512705440 1004506789 /nfs/dbraw/zinc/50/67/89/1004506789.db2.gz JYBNYYSJPDLSEU-OYRHEFFESA-N 2 2 409.622 3.539 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512705440 1004506794 /nfs/dbraw/zinc/50/67/94/1004506794.db2.gz JYBNYYSJPDLSEU-OYRHEFFESA-N 2 2 409.622 3.539 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000512917744 1004689189 /nfs/dbraw/zinc/68/91/89/1004689189.db2.gz UXPIMTZLOFDFAF-NRFANRHFSA-N 2 2 410.468 3.646 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000512917744 1004689191 /nfs/dbraw/zinc/68/91/91/1004689191.db2.gz UXPIMTZLOFDFAF-NRFANRHFSA-N 2 2 410.468 3.646 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000510593502 1004739901 /nfs/dbraw/zinc/73/99/01/1004739901.db2.gz UZOSFIGOJIHUMF-OAHLLOKOSA-N 2 2 411.493 3.762 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000510747804 1004830600 /nfs/dbraw/zinc/83/06/00/1004830600.db2.gz ODVFMAGUXNPCID-RBUKOAKNSA-N 2 2 422.411 3.977 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000510747804 1004830606 /nfs/dbraw/zinc/83/06/06/1004830606.db2.gz ODVFMAGUXNPCID-RBUKOAKNSA-N 2 2 422.411 3.977 20 0 HHADLP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)CCn4cc[nH+]c4)cc3)CC2)c1 ZINC000510807472 1004865692 /nfs/dbraw/zinc/86/56/92/1004865692.db2.gz UFERQDWAARNWRY-UHFFFAOYSA-N 2 2 403.530 3.543 20 0 HHADLP Brc1ccc(C[N@H+](CCCO[C@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510872016 1004903188 /nfs/dbraw/zinc/90/31/88/1004903188.db2.gz KAHDFRQDJXQZNL-SFHVURJKSA-N 2 2 412.328 3.674 20 0 HHADLP Brc1ccc(C[N@@H+](CCCO[C@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510872016 1004903192 /nfs/dbraw/zinc/90/31/92/1004903192.db2.gz KAHDFRQDJXQZNL-SFHVURJKSA-N 2 2 412.328 3.674 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC2)c1 ZINC000513434841 1004964989 /nfs/dbraw/zinc/96/49/89/1004964989.db2.gz NAHPZEVLJBTTLA-UHFFFAOYSA-N 2 2 417.435 3.617 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502299970 1004999743 /nfs/dbraw/zinc/99/97/43/1004999743.db2.gz JQZVZMJOWQVKPJ-FQEVSTJZSA-N 2 2 411.546 3.768 20 0 HHADLP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000502299970 1004999749 /nfs/dbraw/zinc/99/97/49/1004999749.db2.gz JQZVZMJOWQVKPJ-FQEVSTJZSA-N 2 2 411.546 3.768 20 0 HHADLP O=C(COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC1CC1 ZINC000502346870 1005025726 /nfs/dbraw/zinc/02/57/26/1005025726.db2.gz QNPDWKYKIBKCCP-OAQYLSRUSA-N 2 2 422.573 3.504 20 0 HHADLP O=C(COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC1CC1 ZINC000502346870 1005025732 /nfs/dbraw/zinc/02/57/32/1005025732.db2.gz QNPDWKYKIBKCCP-OAQYLSRUSA-N 2 2 422.573 3.504 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000502387439 1005050565 /nfs/dbraw/zinc/05/05/65/1005050565.db2.gz SNSGYPOORMWLIH-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000502387439 1005050566 /nfs/dbraw/zinc/05/05/66/1005050566.db2.gz SNSGYPOORMWLIH-RTBURBONSA-N 2 2 402.583 3.682 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000513647430 1005065395 /nfs/dbraw/zinc/06/53/95/1005065395.db2.gz JCLHTLZQXWKVEZ-UHFFFAOYSA-N 2 2 415.475 3.611 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)cc3C)CC2)CC1 ZINC000513673675 1005077384 /nfs/dbraw/zinc/07/73/84/1005077384.db2.gz VPQWCFBLBILJIJ-UHFFFAOYSA-N 2 2 422.411 3.524 20 0 HHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502465001 1005083964 /nfs/dbraw/zinc/08/39/64/1005083964.db2.gz SYVJOOYPVVHGOH-REWPJTCUSA-N 2 2 412.574 3.824 20 0 HHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502465001 1005083969 /nfs/dbraw/zinc/08/39/69/1005083969.db2.gz SYVJOOYPVVHGOH-REWPJTCUSA-N 2 2 412.574 3.824 20 0 HHADLP CC(C)C[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000511372531 1005144656 /nfs/dbraw/zinc/14/46/56/1005144656.db2.gz IUPNXSFEWKKVNX-ILWGZMRPSA-N 2 2 409.578 3.725 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)CC1 ZINC000502768637 1005208705 /nfs/dbraw/zinc/20/87/05/1005208705.db2.gz AMWXYBLUKSHDQH-UHFFFAOYSA-N 2 2 409.578 3.774 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000511581004 1005233035 /nfs/dbraw/zinc/23/30/35/1005233035.db2.gz OTXPRXHYPQQKDE-AQNXPRMDSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000511581004 1005233041 /nfs/dbraw/zinc/23/30/41/1005233041.db2.gz OTXPRXHYPQQKDE-AQNXPRMDSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000514055615 1005246473 /nfs/dbraw/zinc/24/64/73/1005246473.db2.gz MYZLVGZIZADJOE-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000514055615 1005246478 /nfs/dbraw/zinc/24/64/78/1005246478.db2.gz MYZLVGZIZADJOE-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)s1 ZINC000511751951 1005307461 /nfs/dbraw/zinc/30/74/61/1005307461.db2.gz BRAUNHPTKLLZHI-UHFFFAOYSA-N 2 2 415.481 3.899 20 0 HHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]3CCOC[C@H]23)cc1 ZINC000511785157 1005326891 /nfs/dbraw/zinc/32/68/91/1005326891.db2.gz JCXZWDJWPJSNRF-JIMJEQGWSA-N 2 2 405.586 3.703 20 0 HHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]3CCOC[C@H]23)cc1 ZINC000511785157 1005326894 /nfs/dbraw/zinc/32/68/94/1005326894.db2.gz JCXZWDJWPJSNRF-JIMJEQGWSA-N 2 2 405.586 3.703 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503063906 1005334337 /nfs/dbraw/zinc/33/43/37/1005334337.db2.gz OUSCBUQFGMKQOC-GJYPPUQNSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503063906 1005334342 /nfs/dbraw/zinc/33/43/42/1005334342.db2.gz OUSCBUQFGMKQOC-GJYPPUQNSA-N 2 2 419.367 3.576 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCCc2ccccc21 ZINC000503367135 1005399506 /nfs/dbraw/zinc/39/95/06/1005399506.db2.gz AANHZFSLMNXGNW-NFBKMPQASA-N 2 2 406.574 3.935 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCCc2ccccc21 ZINC000503367135 1005399507 /nfs/dbraw/zinc/39/95/07/1005399507.db2.gz AANHZFSLMNXGNW-NFBKMPQASA-N 2 2 406.574 3.935 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379753 1005402852 /nfs/dbraw/zinc/40/28/52/1005402852.db2.gz REHWADJGEMQJIB-ICSRJNTNSA-N 2 2 419.573 3.628 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379753 1005402857 /nfs/dbraw/zinc/40/28/57/1005402857.db2.gz REHWADJGEMQJIB-ICSRJNTNSA-N 2 2 419.573 3.628 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C2)CC1 ZINC000503383617 1005404280 /nfs/dbraw/zinc/40/42/80/1005404280.db2.gz FXLPIUBCATUEQD-QHCPKHFHSA-N 2 2 409.578 3.585 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387617 1005405362 /nfs/dbraw/zinc/40/53/62/1005405362.db2.gz WAZSBSIWOYQNBS-SJLPKXTDSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387617 1005405364 /nfs/dbraw/zinc/40/53/64/1005405364.db2.gz WAZSBSIWOYQNBS-SJLPKXTDSA-N 2 2 400.954 3.757 20 0 HHADLP O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402933 1005409564 /nfs/dbraw/zinc/40/95/64/1005409564.db2.gz BQSFLCMDLNMPFK-XLIONFOSSA-N 2 2 403.954 3.630 20 0 HHADLP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402933 1005409568 /nfs/dbraw/zinc/40/95/68/1005409568.db2.gz BQSFLCMDLNMPFK-XLIONFOSSA-N 2 2 403.954 3.630 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411228 1005412128 /nfs/dbraw/zinc/41/21/28/1005412128.db2.gz CZHKGVNQEFMBPI-MJGOQNOKSA-N 2 2 403.954 3.801 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411228 1005412131 /nfs/dbraw/zinc/41/21/31/1005412131.db2.gz CZHKGVNQEFMBPI-MJGOQNOKSA-N 2 2 403.954 3.801 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503412390 1005412389 /nfs/dbraw/zinc/41/23/89/1005412389.db2.gz BAOARKWZKSGCLQ-FQEVSTJZSA-N 2 2 413.541 3.809 20 0 HHADLP C[NH+]1CCC(CCNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000503436723 1005419787 /nfs/dbraw/zinc/41/97/87/1005419787.db2.gz PTZNXLVJXWYASC-IBGZPJMESA-N 2 2 410.965 3.647 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)C2)CC1 ZINC000503470634 1005430483 /nfs/dbraw/zinc/43/04/83/1005430483.db2.gz OLPRYBPCTQNRGZ-OAQYLSRUSA-N 2 2 409.578 3.585 20 0 HHADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2cc(Br)cc(F)c2n1 ZINC000531142748 1006015699 /nfs/dbraw/zinc/01/56/99/1006015699.db2.gz FWHXRWCDKZFLCH-UHFFFAOYSA-N 2 2 409.347 3.883 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3c(Br)ccc4F)cn2)CC1 ZINC000534059973 1006031429 /nfs/dbraw/zinc/03/14/29/1006031429.db2.gz VBEMUGTUWXLMKV-GOSISDBHSA-N 2 2 419.342 3.512 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000531499251 1006232769 /nfs/dbraw/zinc/23/27/69/1006232769.db2.gz SKCHCXGJBJCXPV-UHFFFAOYSA-N 2 2 409.578 3.894 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000531499251 1006232777 /nfs/dbraw/zinc/23/27/77/1006232777.db2.gz SKCHCXGJBJCXPV-UHFFFAOYSA-N 2 2 409.578 3.894 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357819 1006319281 /nfs/dbraw/zinc/31/92/81/1006319281.db2.gz AFGLDJWVCBZCIZ-FCHUYYIVSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357819 1006319292 /nfs/dbraw/zinc/31/92/92/1006319292.db2.gz AFGLDJWVCBZCIZ-FCHUYYIVSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358479 1006320074 /nfs/dbraw/zinc/32/00/74/1006320074.db2.gz COMVAKBRWJWYCX-MPJJRAAHSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358479 1006320082 /nfs/dbraw/zinc/32/00/82/1006320082.db2.gz COMVAKBRWJWYCX-MPJJRAAHSA-N 2 2 419.560 3.864 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358507 1006320620 /nfs/dbraw/zinc/32/06/20/1006320620.db2.gz CTIBYEVNKREPOE-XZOQPEGZSA-N 2 2 415.622 3.984 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358507 1006320630 /nfs/dbraw/zinc/32/06/30/1006320630.db2.gz CTIBYEVNKREPOE-XZOQPEGZSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360662 1006324181 /nfs/dbraw/zinc/32/41/81/1006324181.db2.gz OYRYDDZHNQQZDE-LEWJYISDSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360662 1006324192 /nfs/dbraw/zinc/32/41/92/1006324192.db2.gz OYRYDDZHNQQZDE-LEWJYISDSA-N 2 2 407.599 3.713 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375323 1006343263 /nfs/dbraw/zinc/34/32/63/1006343263.db2.gz HFTGTWGDFGAFSF-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375323 1006343275 /nfs/dbraw/zinc/34/32/75/1006343275.db2.gz HFTGTWGDFGAFSF-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376123 1006344142 /nfs/dbraw/zinc/34/41/42/1006344142.db2.gz BUJWEWZTABCTAS-RPWUZVMVSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376123 1006344152 /nfs/dbraw/zinc/34/41/52/1006344152.db2.gz BUJWEWZTABCTAS-RPWUZVMVSA-N 2 2 414.638 3.825 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381879 1006352387 /nfs/dbraw/zinc/35/23/87/1006352387.db2.gz IGAFZSSOMZTZJV-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381879 1006352396 /nfs/dbraw/zinc/35/23/96/1006352396.db2.gz IGAFZSSOMZTZJV-SFTDATJTSA-N 2 2 422.976 3.884 20 0 HHADLP CN(C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384590 1006356399 /nfs/dbraw/zinc/35/63/99/1006356399.db2.gz LMGPABGFPHZKIR-WJGLBBAVSA-N 2 2 424.633 3.693 20 0 HHADLP CN(C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384590 1006356406 /nfs/dbraw/zinc/35/64/06/1006356406.db2.gz LMGPABGFPHZKIR-WJGLBBAVSA-N 2 2 424.633 3.693 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386274 1006359827 /nfs/dbraw/zinc/35/98/27/1006359827.db2.gz WMKPYQWFWPUKHU-XZOQPEGZSA-N 2 2 400.611 3.728 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386274 1006359836 /nfs/dbraw/zinc/35/98/36/1006359836.db2.gz WMKPYQWFWPUKHU-XZOQPEGZSA-N 2 2 400.611 3.728 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710486 1006370489 /nfs/dbraw/zinc/37/04/89/1006370489.db2.gz REQFMZRKYLNEIR-ZFWWWQNUSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710486 1006370497 /nfs/dbraw/zinc/37/04/97/1006370497.db2.gz REQFMZRKYLNEIR-ZFWWWQNUSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710484 1006370703 /nfs/dbraw/zinc/37/07/03/1006370703.db2.gz REQFMZRKYLNEIR-HIFRSBDPSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531710484 1006370711 /nfs/dbraw/zinc/37/07/11/1006370711.db2.gz REQFMZRKYLNEIR-HIFRSBDPSA-N 2 2 421.891 3.776 20 0 HHADLP C[N@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000534599146 1006581080 /nfs/dbraw/zinc/58/10/80/1006581080.db2.gz RWUAPPSHCOSQFH-UHFFFAOYSA-N 2 2 401.514 3.855 20 0 HHADLP C[N@@H+](CCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000534599146 1006581088 /nfs/dbraw/zinc/58/10/88/1006581088.db2.gz RWUAPPSHCOSQFH-UHFFFAOYSA-N 2 2 401.514 3.855 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354534 1006623022 /nfs/dbraw/zinc/62/30/22/1006623022.db2.gz QRAHDWDCDJANHS-RBUKOAKNSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354534 1006623027 /nfs/dbraw/zinc/62/30/27/1006623027.db2.gz QRAHDWDCDJANHS-RBUKOAKNSA-N 2 2 412.500 3.905 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)c4c(c3)OCCO4)[nH+]c2)CC1 ZINC000538426861 1006693187 /nfs/dbraw/zinc/69/31/87/1006693187.db2.gz UPWVTBGFDAKSSU-UHFFFAOYSA-N 2 2 402.926 3.649 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718983 1006704898 /nfs/dbraw/zinc/70/48/98/1006704898.db2.gz AVKHAUHSNVLJSX-IGKWTDBASA-N 2 2 415.622 3.669 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718983 1006704906 /nfs/dbraw/zinc/70/49/06/1006704906.db2.gz AVKHAUHSNVLJSX-IGKWTDBASA-N 2 2 415.622 3.669 20 0 HHADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000532219846 1006730082 /nfs/dbraw/zinc/73/00/82/1006730082.db2.gz VRLMMTGYUZVYEU-IBGZPJMESA-N 2 2 412.603 3.972 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000534793803 1006797479 /nfs/dbraw/zinc/79/74/79/1006797479.db2.gz PRPMGSLZGBQWHI-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000534793803 1006797489 /nfs/dbraw/zinc/79/74/89/1006797489.db2.gz PRPMGSLZGBQWHI-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929535 1006966321 /nfs/dbraw/zinc/96/63/21/1006966321.db2.gz CPDNMGAIOFDAKY-VXKWHMMOSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929535 1006966330 /nfs/dbraw/zinc/96/63/30/1006966330.db2.gz CPDNMGAIOFDAKY-VXKWHMMOSA-N 2 2 402.583 3.634 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CCC2 ZINC000532537007 1006972213 /nfs/dbraw/zinc/97/22/13/1006972213.db2.gz BCZCZQDWZBZAAG-UKRRQHHQSA-N 2 2 405.340 3.838 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534942998 1006984227 /nfs/dbraw/zinc/98/42/27/1006984227.db2.gz DKCLRBFZPKVUJJ-OALUTQOASA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534942998 1006984237 /nfs/dbraw/zinc/98/42/37/1006984237.db2.gz DKCLRBFZPKVUJJ-OALUTQOASA-N 2 2 412.500 3.905 20 0 HHADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000538709595 1006985022 /nfs/dbraw/zinc/98/50/22/1006985022.db2.gz DAYWCBWEKBAVCZ-UHFFFAOYSA-N 2 2 415.541 3.928 20 0 HHADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000538709595 1006985033 /nfs/dbraw/zinc/98/50/33/1006985033.db2.gz DAYWCBWEKBAVCZ-UHFFFAOYSA-N 2 2 415.541 3.928 20 0 HHADLP CC(C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCCC1 ZINC000516277651 1006991167 /nfs/dbraw/zinc/99/11/67/1006991167.db2.gz FCQRSJSMNLLGCF-NRFANRHFSA-N 2 2 401.530 3.711 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626872 1007048441 /nfs/dbraw/zinc/04/84/41/1007048441.db2.gz UKRYTYCOCMWCKT-ZEQRLZLVSA-N 2 2 424.589 3.514 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626872 1007048450 /nfs/dbraw/zinc/04/84/50/1007048450.db2.gz UKRYTYCOCMWCKT-ZEQRLZLVSA-N 2 2 424.589 3.514 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094503 1007109550 /nfs/dbraw/zinc/10/95/50/1007109550.db2.gz IQDACYKHDINRDR-MOPGFXCFSA-N 2 2 406.640 3.813 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094503 1007109557 /nfs/dbraw/zinc/10/95/57/1007109557.db2.gz IQDACYKHDINRDR-MOPGFXCFSA-N 2 2 406.640 3.813 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093996 1007109796 /nfs/dbraw/zinc/10/97/96/1007109796.db2.gz GTAKPEMYWHDVRG-RPWUZVMVSA-N 2 2 414.638 3.942 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093996 1007109802 /nfs/dbraw/zinc/10/98/02/1007109802.db2.gz GTAKPEMYWHDVRG-RPWUZVMVSA-N 2 2 414.638 3.942 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095671 1007111980 /nfs/dbraw/zinc/11/19/80/1007111980.db2.gz LYMDCRMWQBVQKW-PKTZIBPZSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095671 1007111990 /nfs/dbraw/zinc/11/19/90/1007111990.db2.gz LYMDCRMWQBVQKW-PKTZIBPZSA-N 2 2 419.585 3.780 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096916 1007114261 /nfs/dbraw/zinc/11/42/61/1007114261.db2.gz YFLWEVOGASTXHF-FGZHOGPDSA-N 2 2 403.636 3.959 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096916 1007114268 /nfs/dbraw/zinc/11/42/68/1007114268.db2.gz YFLWEVOGASTXHF-FGZHOGPDSA-N 2 2 403.636 3.959 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110047 1007135599 /nfs/dbraw/zinc/13/55/99/1007135599.db2.gz HIDXZXLTUIVAHM-SFTDATJTSA-N 2 2 406.640 3.789 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110047 1007135603 /nfs/dbraw/zinc/13/56/03/1007135603.db2.gz HIDXZXLTUIVAHM-SFTDATJTSA-N 2 2 406.640 3.789 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733637 1007143764 /nfs/dbraw/zinc/14/37/64/1007143764.db2.gz YHARRAHOSPKWNN-UHFFFAOYSA-N 2 2 409.578 3.759 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733637 1007143786 /nfs/dbraw/zinc/14/37/86/1007143786.db2.gz YHARRAHOSPKWNN-UHFFFAOYSA-N 2 2 409.578 3.759 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119334 1007151612 /nfs/dbraw/zinc/15/16/12/1007151612.db2.gz AMXUCEGHNNTNOI-GOTSBHOMSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119334 1007151615 /nfs/dbraw/zinc/15/16/15/1007151615.db2.gz AMXUCEGHNNTNOI-GOTSBHOMSA-N 2 2 423.605 3.713 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121901 1007154756 /nfs/dbraw/zinc/15/47/56/1007154756.db2.gz RPBWJUBEHVNQCI-FDFHNCONSA-N 2 2 401.599 3.511 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121901 1007154764 /nfs/dbraw/zinc/15/47/64/1007154764.db2.gz RPBWJUBEHVNQCI-FDFHNCONSA-N 2 2 401.599 3.511 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847061 1007233008 /nfs/dbraw/zinc/23/30/08/1007233008.db2.gz BUALFAJWOOPLFF-VQTJNVASSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847061 1007233016 /nfs/dbraw/zinc/23/30/16/1007233016.db2.gz BUALFAJWOOPLFF-VQTJNVASSA-N 2 2 410.965 3.644 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000516708853 1007248676 /nfs/dbraw/zinc/24/86/76/1007248676.db2.gz HVIYQLKKUYREPL-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000516708853 1007248683 /nfs/dbraw/zinc/24/86/83/1007248683.db2.gz HVIYQLKKUYREPL-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882526 1007327695 /nfs/dbraw/zinc/32/76/95/1007327695.db2.gz HWDDBKFYNHQBOH-UFYCRDLUSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882526 1007327705 /nfs/dbraw/zinc/32/77/05/1007327705.db2.gz HWDDBKFYNHQBOH-UFYCRDLUSA-N 2 2 411.512 3.874 20 0 HHADLP COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280673 1007332006 /nfs/dbraw/zinc/33/20/06/1007332006.db2.gz IOCZBZVHXLXQCX-UPVQGACJSA-N 2 2 408.590 3.693 20 0 HHADLP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280673 1007332018 /nfs/dbraw/zinc/33/20/18/1007332018.db2.gz IOCZBZVHXLXQCX-UPVQGACJSA-N 2 2 408.590 3.693 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539093764 1007383297 /nfs/dbraw/zinc/38/32/97/1007383297.db2.gz QEMUZTHHOHIKOI-VAMGGRTRSA-N 2 2 418.541 3.973 20 0 HHADLP O=C(C[NH2+]C1(c2ccc(F)cc2)CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533052261 1007416163 /nfs/dbraw/zinc/41/61/63/1007416163.db2.gz MAYMWUJZZADJJV-UHFFFAOYSA-N 2 2 411.521 3.656 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128741 1007442237 /nfs/dbraw/zinc/44/22/37/1007442237.db2.gz BEKWZAIJYZSKBY-QHAWAJNXSA-N 2 2 416.610 3.959 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128741 1007442244 /nfs/dbraw/zinc/44/22/44/1007442244.db2.gz BEKWZAIJYZSKBY-QHAWAJNXSA-N 2 2 416.610 3.959 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000517130048 1007443702 /nfs/dbraw/zinc/44/37/02/1007443702.db2.gz PBCQLVKPVHWSLM-QFBILLFUSA-N 2 2 402.564 3.566 20 0 HHADLP CCC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000533133118 1007472281 /nfs/dbraw/zinc/47/22/81/1007472281.db2.gz VSBKRONDXZGTDQ-UHFFFAOYSA-N 2 2 409.578 3.922 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000539177788 1007477488 /nfs/dbraw/zinc/47/74/88/1007477488.db2.gz LEVAJQXDRYOLLF-UHFFFAOYSA-N 2 2 410.562 3.755 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000539177788 1007477494 /nfs/dbraw/zinc/47/74/94/1007477494.db2.gz LEVAJQXDRYOLLF-UHFFFAOYSA-N 2 2 410.562 3.755 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000539219813 1007511675 /nfs/dbraw/zinc/51/16/75/1007511675.db2.gz RRUOZNGHWXNUEB-SFTDATJTSA-N 2 2 412.578 3.679 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000539219813 1007511682 /nfs/dbraw/zinc/51/16/82/1007511682.db2.gz RRUOZNGHWXNUEB-SFTDATJTSA-N 2 2 412.578 3.679 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000539226498 1007518414 /nfs/dbraw/zinc/51/84/14/1007518414.db2.gz KZOMUFVSOMCHEK-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000539226498 1007518421 /nfs/dbraw/zinc/51/84/21/1007518421.db2.gz KZOMUFVSOMCHEK-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533308368 1007625069 /nfs/dbraw/zinc/62/50/69/1007625069.db2.gz DQWFPSRJUZIDLC-OAQYLSRUSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000533308368 1007625075 /nfs/dbraw/zinc/62/50/75/1007625075.db2.gz DQWFPSRJUZIDLC-OAQYLSRUSA-N 2 2 422.573 3.518 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647996 1007656253 /nfs/dbraw/zinc/65/62/53/1007656253.db2.gz ZFNRIQRYHFQPEI-YADHBBJMSA-N 2 2 401.599 3.554 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647996 1007656263 /nfs/dbraw/zinc/65/62/63/1007656263.db2.gz ZFNRIQRYHFQPEI-YADHBBJMSA-N 2 2 401.599 3.554 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000517438595 1007660818 /nfs/dbraw/zinc/66/08/18/1007660818.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000517438595 1007660821 /nfs/dbraw/zinc/66/08/21/1007660821.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000517438595 1007660824 /nfs/dbraw/zinc/66/08/24/1007660824.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000517438595 1007660827 /nfs/dbraw/zinc/66/08/27/1007660827.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 2 2 420.189 3.992 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535656109 1007669841 /nfs/dbraw/zinc/66/98/41/1007669841.db2.gz RMNGIMWNKNUSRE-VQTJNVASSA-N 2 2 416.614 3.575 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535656109 1007669848 /nfs/dbraw/zinc/66/98/48/1007669848.db2.gz RMNGIMWNKNUSRE-VQTJNVASSA-N 2 2 416.614 3.575 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000539540459 1007849434 /nfs/dbraw/zinc/84/94/34/1007849434.db2.gz UAMKORGZJUCVNS-GHTZIAJQSA-N 2 2 411.550 3.535 20 0 HHADLP CN(C(=O)C[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849417 1007862336 /nfs/dbraw/zinc/86/23/36/1007862336.db2.gz ARFMNFQURPUMLA-BUUDZMLXSA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)C[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849417 1007862338 /nfs/dbraw/zinc/86/23/38/1007862338.db2.gz ARFMNFQURPUMLA-BUUDZMLXSA-N 2 2 411.634 3.977 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850478 1007863637 /nfs/dbraw/zinc/86/36/37/1007863637.db2.gz BCTBHZNDZIRERS-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850478 1007863640 /nfs/dbraw/zinc/86/36/40/1007863640.db2.gz BCTBHZNDZIRERS-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850476 1007863808 /nfs/dbraw/zinc/86/38/08/1007863808.db2.gz BCTBHZNDZIRERS-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2n1 ZINC000535850476 1007863810 /nfs/dbraw/zinc/86/38/10/1007863810.db2.gz BCTBHZNDZIRERS-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000533550142 1007869690 /nfs/dbraw/zinc/86/96/90/1007869690.db2.gz UMSIVVTVEPDUFJ-PMACEKPBSA-N 2 2 414.509 3.959 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535856473 1007871223 /nfs/dbraw/zinc/87/12/23/1007871223.db2.gz VJTPEEVFZCICHX-VJBMBRPKSA-N 2 2 407.643 3.910 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535856473 1007871230 /nfs/dbraw/zinc/87/12/30/1007871230.db2.gz VJTPEEVFZCICHX-VJBMBRPKSA-N 2 2 407.643 3.910 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865242 1007880411 /nfs/dbraw/zinc/88/04/11/1007880411.db2.gz GLPBHLPRTBSTPW-VABKMULXSA-N 2 2 424.674 3.806 20 0 HHADLP CCC(CC)[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000535865242 1007880419 /nfs/dbraw/zinc/88/04/19/1007880419.db2.gz GLPBHLPRTBSTPW-VABKMULXSA-N 2 2 424.674 3.806 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639996 1007947264 /nfs/dbraw/zinc/94/72/64/1007947264.db2.gz GIGYPOLQPGBIEC-FGZHOGPDSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639996 1007947272 /nfs/dbraw/zinc/94/72/72/1007947272.db2.gz GIGYPOLQPGBIEC-FGZHOGPDSA-N 2 2 400.567 3.690 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648299 1007957965 /nfs/dbraw/zinc/95/79/65/1007957965.db2.gz LESJAWFJVZTXOF-CONSUNNSSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648299 1007957971 /nfs/dbraw/zinc/95/79/71/1007957971.db2.gz LESJAWFJVZTXOF-CONSUNNSSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649638 1007960557 /nfs/dbraw/zinc/96/05/57/1007960557.db2.gz PUTBXXKDHAOCHE-DNQXCXABSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649638 1007960568 /nfs/dbraw/zinc/96/05/68/1007960568.db2.gz PUTBXXKDHAOCHE-DNQXCXABSA-N 2 2 410.606 3.896 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649640 1007961552 /nfs/dbraw/zinc/96/15/52/1007961552.db2.gz VFCWDEANMNQCPU-DHIUTWEWSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649640 1007961557 /nfs/dbraw/zinc/96/15/57/1007961557.db2.gz VFCWDEANMNQCPU-DHIUTWEWSA-N 2 2 410.606 3.814 20 0 HHADLP CN(C(=O)N[C@@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533674182 1007993790 /nfs/dbraw/zinc/99/37/90/1007993790.db2.gz KHGHHTCLHAFBTK-NJYVYQBISA-N 2 2 416.635 3.812 20 0 HHADLP CN(C(=O)N[C@@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533674182 1007993797 /nfs/dbraw/zinc/99/37/97/1007993797.db2.gz KHGHHTCLHAFBTK-NJYVYQBISA-N 2 2 416.635 3.812 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535981893 1008022325 /nfs/dbraw/zinc/02/23/25/1008022325.db2.gz BSQHNFKPVMGKMF-SFTDATJTSA-N 2 2 412.688 3.744 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535981893 1008022336 /nfs/dbraw/zinc/02/23/36/1008022336.db2.gz BSQHNFKPVMGKMF-SFTDATJTSA-N 2 2 412.688 3.744 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768231 1008093907 /nfs/dbraw/zinc/09/39/07/1008093907.db2.gz SGFUWHMSBURWRK-XQBPLPMBSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768231 1008093917 /nfs/dbraw/zinc/09/39/17/1008093917.db2.gz SGFUWHMSBURWRK-XQBPLPMBSA-N 2 2 409.578 3.597 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000518268221 1008234282 /nfs/dbraw/zinc/23/42/82/1008234282.db2.gz HYASJOSWVJUJTC-UHFFFAOYSA-N 2 2 403.574 3.542 20 0 HHADLP CC(=O)N(c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1)C1CC1 ZINC000540043882 1008253231 /nfs/dbraw/zinc/25/32/31/1008253231.db2.gz KBOTXJDCLADCGN-UHFFFAOYSA-N 2 2 413.591 3.792 20 0 HHADLP CC(=O)N(c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1)C1CC1 ZINC000540043882 1008253234 /nfs/dbraw/zinc/25/32/34/1008253234.db2.gz KBOTXJDCLADCGN-UHFFFAOYSA-N 2 2 413.591 3.792 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc2)CC1 ZINC000518350456 1008271795 /nfs/dbraw/zinc/27/17/95/1008271795.db2.gz ADTPPBPJQAHNBX-QHCPKHFHSA-N 2 2 421.589 3.954 20 0 HHADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000540099427 1008287022 /nfs/dbraw/zinc/28/70/22/1008287022.db2.gz WZXHLWNCFHPYBN-UHFFFAOYSA-N 2 2 418.632 3.527 20 0 HHADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000540099427 1008287024 /nfs/dbraw/zinc/28/70/24/1008287024.db2.gz WZXHLWNCFHPYBN-UHFFFAOYSA-N 2 2 418.632 3.527 20 0 HHADLP CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000540346357 1008391162 /nfs/dbraw/zinc/39/11/62/1008391162.db2.gz MSRRYKJGLADRIJ-UHFFFAOYSA-N 2 2 415.603 3.792 20 0 HHADLP CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000540346357 1008391163 /nfs/dbraw/zinc/39/11/63/1008391163.db2.gz MSRRYKJGLADRIJ-UHFFFAOYSA-N 2 2 415.603 3.792 20 0 HHADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000540347754 1008391467 /nfs/dbraw/zinc/39/14/67/1008391467.db2.gz HYKUPGBBZPEBNJ-ZDUSSCGKSA-N 2 2 405.474 3.634 20 0 HHADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000540347754 1008391471 /nfs/dbraw/zinc/39/14/71/1008391471.db2.gz HYKUPGBBZPEBNJ-ZDUSSCGKSA-N 2 2 405.474 3.634 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548191 1008476596 /nfs/dbraw/zinc/47/65/96/1008476596.db2.gz DAWOFIHYOFKVRI-SFTDATJTSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548191 1008476598 /nfs/dbraw/zinc/47/65/98/1008476598.db2.gz DAWOFIHYOFKVRI-SFTDATJTSA-N 2 2 413.566 3.937 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518967274 1008490243 /nfs/dbraw/zinc/49/02/43/1008490243.db2.gz IDKRRKYCQHSAPU-IBGZPJMESA-N 2 2 422.564 3.885 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518967274 1008490247 /nfs/dbraw/zinc/49/02/47/1008490247.db2.gz IDKRRKYCQHSAPU-IBGZPJMESA-N 2 2 422.564 3.885 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108531 1008682059 /nfs/dbraw/zinc/68/20/59/1008682059.db2.gz ITKXCTMPXHIMBE-LEWJYISDSA-N 2 2 405.558 3.634 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108531 1008682065 /nfs/dbraw/zinc/68/20/65/1008682065.db2.gz ITKXCTMPXHIMBE-LEWJYISDSA-N 2 2 405.558 3.634 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543164240 1008739436 /nfs/dbraw/zinc/73/94/36/1008739436.db2.gz XBQIYQPNTVGCBH-IERDGZPVSA-N 2 2 419.491 3.917 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1OC(F)(F)F ZINC000543233371 1008800735 /nfs/dbraw/zinc/80/07/35/1008800735.db2.gz QOMMKLSVYZARHX-CQSZACIVSA-N 2 2 411.449 3.773 20 0 HHADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)c1 ZINC000543323289 1008904634 /nfs/dbraw/zinc/90/46/34/1008904634.db2.gz JXFRYSQWGYTELP-FQEVSTJZSA-N 2 2 407.562 3.545 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000549406964 1008994099 /nfs/dbraw/zinc/99/40/99/1008994099.db2.gz WEBSJMDLXVOOKX-UHFFFAOYSA-N 3 2 424.637 3.512 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000549406964 1008994104 /nfs/dbraw/zinc/99/41/04/1008994104.db2.gz WEBSJMDLXVOOKX-UHFFFAOYSA-N 3 2 424.637 3.512 20 0 HHADLP Fc1ccc([C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c2cnccn2)cc1 ZINC000543406783 1009000790 /nfs/dbraw/zinc/00/07/90/1009000790.db2.gz RTRWELXGZTTXGR-RUZDIDTESA-N 2 2 419.548 3.503 20 0 HHADLP CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000543502732 1009091872 /nfs/dbraw/zinc/09/18/72/1009091872.db2.gz GFUOSSSWTNNGKN-IAGOWNOFSA-N 2 2 400.592 3.525 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546125856 1009149514 /nfs/dbraw/zinc/14/95/14/1009149514.db2.gz YNYFFZHFSYNATN-UYAOXDASSA-N 2 2 404.917 3.894 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546125856 1009149520 /nfs/dbraw/zinc/14/95/20/1009149520.db2.gz YNYFFZHFSYNATN-UYAOXDASSA-N 2 2 404.917 3.894 20 0 HHADLP FC(F)Oc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000520168524 1009315450 /nfs/dbraw/zinc/31/54/50/1009315450.db2.gz DGKBMLYHIGYDGU-UHFFFAOYSA-N 2 2 419.310 3.595 20 0 HHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840605 1009454760 /nfs/dbraw/zinc/45/47/60/1009454760.db2.gz LEBCFGBAYUFBFP-NRFANRHFSA-N 2 2 409.496 3.614 20 0 HHADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840605 1009454768 /nfs/dbraw/zinc/45/47/68/1009454768.db2.gz LEBCFGBAYUFBFP-NRFANRHFSA-N 2 2 409.496 3.614 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840605 1009454776 /nfs/dbraw/zinc/45/47/76/1009454776.db2.gz LEBCFGBAYUFBFP-NRFANRHFSA-N 2 2 409.496 3.614 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840605 1009454784 /nfs/dbraw/zinc/45/47/84/1009454784.db2.gz LEBCFGBAYUFBFP-NRFANRHFSA-N 2 2 409.496 3.614 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881427 1009456093 /nfs/dbraw/zinc/45/60/93/1009456093.db2.gz JEZBWWIUWPOXBC-ZRCAFCQKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881427 1009456102 /nfs/dbraw/zinc/45/61/02/1009456102.db2.gz JEZBWWIUWPOXBC-ZRCAFCQKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881427 1009456112 /nfs/dbraw/zinc/45/61/12/1009456112.db2.gz JEZBWWIUWPOXBC-ZRCAFCQKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881427 1009456125 /nfs/dbraw/zinc/45/61/25/1009456125.db2.gz JEZBWWIUWPOXBC-ZRCAFCQKSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941422 1009534531 /nfs/dbraw/zinc/53/45/31/1009534531.db2.gz OGFMBVAUWNRUEF-KPYYAMLLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941422 1009534539 /nfs/dbraw/zinc/53/45/39/1009534539.db2.gz OGFMBVAUWNRUEF-KPYYAMLLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941422 1009534547 /nfs/dbraw/zinc/53/45/47/1009534547.db2.gz OGFMBVAUWNRUEF-KPYYAMLLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941422 1009534555 /nfs/dbraw/zinc/53/45/55/1009534555.db2.gz OGFMBVAUWNRUEF-KPYYAMLLSA-N 2 2 424.511 3.507 20 0 HHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543971560 1009575015 /nfs/dbraw/zinc/57/50/15/1009575015.db2.gz PTMIJMVTLNUQSB-FQEVSTJZSA-N 2 2 403.615 3.986 20 0 HHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543971560 1009575024 /nfs/dbraw/zinc/57/50/24/1009575024.db2.gz PTMIJMVTLNUQSB-FQEVSTJZSA-N 2 2 403.615 3.986 20 0 HHADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543989895 1009587256 /nfs/dbraw/zinc/58/72/56/1009587256.db2.gz GQBYOJIEALCIME-UHFFFAOYSA-N 2 2 409.578 3.923 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550073669 1009677093 /nfs/dbraw/zinc/67/70/93/1009677093.db2.gz WBPXWQGOGNXDDQ-SFTDATJTSA-N 2 2 412.578 3.556 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550073669 1009677100 /nfs/dbraw/zinc/67/71/00/1009677100.db2.gz WBPXWQGOGNXDDQ-SFTDATJTSA-N 2 2 412.578 3.556 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000520601443 1009677341 /nfs/dbraw/zinc/67/73/41/1009677341.db2.gz RXQZHYAWTQMIGG-GHTZIAJQSA-N 2 2 414.550 3.877 20 0 HHADLP CC[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546758818 1009726219 /nfs/dbraw/zinc/72/62/19/1009726219.db2.gz ACWSKDYLORSFHC-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CC[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000546758818 1009726234 /nfs/dbraw/zinc/72/62/34/1009726234.db2.gz ACWSKDYLORSFHC-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)nc12 ZINC000546760518 1009727614 /nfs/dbraw/zinc/72/76/14/1009727614.db2.gz QPSIDRWEZWAASB-UHFFFAOYSA-N 2 2 410.319 3.923 20 0 HHADLP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163341 1009744060 /nfs/dbraw/zinc/74/40/60/1009744060.db2.gz FKHUYASBRCJFRV-OALUTQOASA-N 2 2 422.013 3.510 20 0 HHADLP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163341 1009744065 /nfs/dbraw/zinc/74/40/65/1009744065.db2.gz FKHUYASBRCJFRV-OALUTQOASA-N 2 2 422.013 3.510 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000546795843 1009761343 /nfs/dbraw/zinc/76/13/43/1009761343.db2.gz YSDVPKANERMMQO-UHFFFAOYSA-N 2 2 406.452 3.561 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000546835418 1009792568 /nfs/dbraw/zinc/79/25/68/1009792568.db2.gz YDPLWBCKJBTAEM-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000546871404 1009833266 /nfs/dbraw/zinc/83/32/66/1009833266.db2.gz HITWVCNDXWSWMV-MRXNPFEDSA-N 2 2 422.411 3.684 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000546871404 1009833284 /nfs/dbraw/zinc/83/32/84/1009833284.db2.gz HITWVCNDXWSWMV-MRXNPFEDSA-N 2 2 422.411 3.684 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873412 1009835600 /nfs/dbraw/zinc/83/56/00/1009835600.db2.gz VBIMOPXKNLQQKE-FGZHOGPDSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873412 1009835617 /nfs/dbraw/zinc/83/56/17/1009835617.db2.gz VBIMOPXKNLQQKE-FGZHOGPDSA-N 2 2 414.981 3.551 20 0 HHADLP CC(C)COC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000520788700 1009859001 /nfs/dbraw/zinc/85/90/01/1009859001.db2.gz WHPWFWNQUMYYOF-UHFFFAOYSA-N 2 2 423.601 3.621 20 0 HHADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520883069 1009938730 /nfs/dbraw/zinc/93/87/30/1009938730.db2.gz XWEHXKZHOFAYTR-AVRDEDQJSA-N 2 2 415.965 3.523 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000544348289 1009974623 /nfs/dbraw/zinc/97/46/23/1009974623.db2.gz GFCDLDQVLNUINR-UHFFFAOYSA-N 2 2 423.399 3.728 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)[C@@H](c2ccccc2)C1 ZINC000544361719 1009988735 /nfs/dbraw/zinc/98/87/35/1009988735.db2.gz YCKHTRMEFKTRHF-JWQCQUIFSA-N 2 2 419.548 3.674 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)[C@@H](c2ccccc2)C1 ZINC000544361719 1009988744 /nfs/dbraw/zinc/98/87/44/1009988744.db2.gz YCKHTRMEFKTRHF-JWQCQUIFSA-N 2 2 419.548 3.674 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nc(C)cs1 ZINC000544452008 1010075446 /nfs/dbraw/zinc/07/54/46/1010075446.db2.gz LIDZKHLNHVEHTB-GOSISDBHSA-N 2 2 404.605 3.680 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)Cc3cccs3)c2)cc[nH+]1 ZINC000544557317 1010187229 /nfs/dbraw/zinc/18/72/29/1010187229.db2.gz AHCAIQSNSPOFSB-UHFFFAOYSA-N 2 2 409.559 3.663 20 0 HHADLP Cn1ccc([C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000544565689 1010195459 /nfs/dbraw/zinc/19/54/59/1010195459.db2.gz OEVHDUUPANAEMZ-JOCHJYFZSA-N 2 2 416.013 3.703 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000544612697 1010238316 /nfs/dbraw/zinc/23/83/16/1010238316.db2.gz PBGVUXLPFPCDSU-UHFFFAOYSA-N 2 2 420.479 3.562 20 0 HHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005617 1010312796 /nfs/dbraw/zinc/31/27/96/1010312796.db2.gz MRXWJOLSVUTPPF-CLJLJLNGSA-N 3 2 406.618 3.619 20 0 HHADLP C[N@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005617 1010312809 /nfs/dbraw/zinc/31/28/09/1010312809.db2.gz MRXWJOLSVUTPPF-CLJLJLNGSA-N 3 2 406.618 3.619 20 0 HHADLP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511910 1010334203 /nfs/dbraw/zinc/33/42/03/1010334203.db2.gz BRZDQQKTRIDHEW-RDJZCZTQSA-N 2 2 403.452 3.748 20 0 HHADLP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511910 1010334216 /nfs/dbraw/zinc/33/42/16/1010334216.db2.gz BRZDQQKTRIDHEW-RDJZCZTQSA-N 2 2 403.452 3.748 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548322904 1010594723 /nfs/dbraw/zinc/59/47/23/1010594723.db2.gz ISUFKQQDDUGUEX-SFTDATJTSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548322904 1010594728 /nfs/dbraw/zinc/59/47/28/1010594728.db2.gz ISUFKQQDDUGUEX-SFTDATJTSA-N 2 2 418.630 3.730 20 0 HHADLP Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)o2)cc1 ZINC000521817489 1010638625 /nfs/dbraw/zinc/63/86/25/1010638625.db2.gz DJGXFQSQQHPIEM-UHFFFAOYSA-N 2 2 403.526 3.932 20 0 HHADLP Cc1cccc(C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC(C)C)c1 ZINC000521821321 1010640867 /nfs/dbraw/zinc/64/08/67/1010640867.db2.gz DRROUAVXACHXKB-UHFFFAOYSA-N 2 2 409.574 3.924 20 0 HHADLP Cc1cccc(C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC(C)C)c1 ZINC000521821321 1010640875 /nfs/dbraw/zinc/64/08/75/1010640875.db2.gz DRROUAVXACHXKB-UHFFFAOYSA-N 2 2 409.574 3.924 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnc(OC)c(Cl)c3)cc2)CC1 ZINC000551542083 1010648671 /nfs/dbraw/zinc/64/86/71/1010648671.db2.gz XALBDQWOOOEOCN-QGZVFWFLSA-N 2 2 402.970 3.732 20 0 HHADLP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000551590234 1010681733 /nfs/dbraw/zinc/68/17/33/1010681733.db2.gz VLIHYSDUTYHWBL-UHFFFAOYSA-N 2 2 403.615 3.788 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccnc(Oc3cccc(C)c3C)c2)CC1 ZINC000545209074 1010685097 /nfs/dbraw/zinc/68/50/97/1010685097.db2.gz LRULYJZJQOWHLF-UHFFFAOYSA-N 2 2 411.546 3.998 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000521917388 1010709263 /nfs/dbraw/zinc/70/92/63/1010709263.db2.gz RMGKIFWTJFWYPH-UHFFFAOYSA-N 2 2 421.010 3.557 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919633 1010711793 /nfs/dbraw/zinc/71/17/93/1010711793.db2.gz TVAOQTKNYNKSCF-YKSBVNFPSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919633 1010711803 /nfs/dbraw/zinc/71/18/03/1010711803.db2.gz TVAOQTKNYNKSCF-YKSBVNFPSA-N 2 2 421.585 3.785 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522049191 1010778920 /nfs/dbraw/zinc/77/89/20/1010778920.db2.gz RADKTZUBPOTQIA-FQEVSTJZSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000522049191 1010778926 /nfs/dbraw/zinc/77/89/26/1010778926.db2.gz RADKTZUBPOTQIA-FQEVSTJZSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000522079810 1010796585 /nfs/dbraw/zinc/79/65/85/1010796585.db2.gz JNLLILJQXBIAJW-LJQANCHMSA-N 2 2 410.965 3.788 20 0 HHADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1C1CCCCC1 ZINC000522109149 1010817069 /nfs/dbraw/zinc/81/70/69/1010817069.db2.gz CCUQHUVDLZNING-UHFFFAOYSA-N 2 2 400.611 3.899 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1F ZINC000522467558 1011030558 /nfs/dbraw/zinc/03/05/58/1011030558.db2.gz SGFLUHYLBGCFGA-UHFFFAOYSA-N 2 2 413.472 3.520 20 0 HHADLP Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000522646868 1011135038 /nfs/dbraw/zinc/13/50/38/1011135038.db2.gz IWPWFHKOFRJKGG-UHFFFAOYSA-N 2 2 424.467 3.796 20 0 HHADLP COc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCCC2)cc1 ZINC000522741855 1011188669 /nfs/dbraw/zinc/18/86/69/1011188669.db2.gz NRNMUWPZTLCABB-HSZRJFAPSA-N 2 2 404.514 3.838 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000522783771 1011217611 /nfs/dbraw/zinc/21/76/11/1011217611.db2.gz AEJRUZXZYCYRDN-OAQYLSRUSA-N 2 2 422.573 3.738 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367436 1011576073 /nfs/dbraw/zinc/57/60/73/1011576073.db2.gz AOUXHDRSCMWQPY-UHFFFAOYSA-N 2 2 407.345 3.923 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540926158 1011590211 /nfs/dbraw/zinc/59/02/11/1011590211.db2.gz UDAWARCBQCTYLY-TZIWHRDSSA-N 2 2 404.917 3.652 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540926158 1011590227 /nfs/dbraw/zinc/59/02/27/1011590227.db2.gz UDAWARCBQCTYLY-TZIWHRDSSA-N 2 2 404.917 3.652 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c2C1 ZINC000540963091 1011604357 /nfs/dbraw/zinc/60/43/57/1011604357.db2.gz PSUDEBFQMFHGBT-XMMPIXPASA-N 2 2 416.569 3.954 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c2C1 ZINC000540963091 1011604361 /nfs/dbraw/zinc/60/43/61/1011604361.db2.gz PSUDEBFQMFHGBT-XMMPIXPASA-N 2 2 416.569 3.954 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ncc(Br)s1 ZINC000540988682 1011621931 /nfs/dbraw/zinc/62/19/31/1011621931.db2.gz LWAIUFWGSZLLHR-XJKSGUPXSA-N 2 2 410.381 3.713 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ncc(Br)s1 ZINC000540988682 1011621939 /nfs/dbraw/zinc/62/19/39/1011621939.db2.gz LWAIUFWGSZLLHR-XJKSGUPXSA-N 2 2 410.381 3.713 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 ZINC000541022984 1011658386 /nfs/dbraw/zinc/65/83/86/1011658386.db2.gz KCARELYDGTUZJK-MRXNPFEDSA-N 2 2 417.513 3.595 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116278 1011766829 /nfs/dbraw/zinc/76/68/29/1011766829.db2.gz PBEHWFSESNMEDK-XVGQJIODSA-N 2 2 414.516 3.515 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541116278 1011766844 /nfs/dbraw/zinc/76/68/44/1011766844.db2.gz PBEHWFSESNMEDK-XVGQJIODSA-N 2 2 414.516 3.515 20 0 HHADLP Cc1cccc(CN(Cc2ccco2)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000523309051 1011786557 /nfs/dbraw/zinc/78/65/57/1011786557.db2.gz QZEDBFMREDCOOE-UHFFFAOYSA-N 2 2 424.589 3.858 20 0 HHADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000536656936 1011804862 /nfs/dbraw/zinc/80/48/62/1011804862.db2.gz JRMALIJSAIWPDW-UHFFFAOYSA-N 2 2 404.624 3.567 20 0 HHADLP c1cn2c(cccc2CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)[nH+]1 ZINC000536705201 1011875605 /nfs/dbraw/zinc/87/56/05/1011875605.db2.gz DUUDSFZXOWTDDY-UHFFFAOYSA-N 2 2 412.541 3.706 20 0 HHADLP CCOc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1OC(F)F ZINC000536710764 1011882089 /nfs/dbraw/zinc/88/20/89/1011882089.db2.gz SVXFLCFUDIKKQM-UHFFFAOYSA-N 2 2 411.537 3.677 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251230 1011932934 /nfs/dbraw/zinc/93/29/34/1011932934.db2.gz KLZJTDXPOQHKJI-WOJBJXKFSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251230 1011932946 /nfs/dbraw/zinc/93/29/46/1011932946.db2.gz KLZJTDXPOQHKJI-WOJBJXKFSA-N 2 2 416.591 3.812 20 0 HHADLP O[C@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541326018 1012035953 /nfs/dbraw/zinc/03/59/53/1012035953.db2.gz KBHJYSOZUWLQTE-SFHVURJKSA-N 2 2 411.468 3.834 20 0 HHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351770 1012064822 /nfs/dbraw/zinc/06/48/22/1012064822.db2.gz WVDVGUQEAXXOCQ-CTNGQTDRSA-N 2 2 419.491 3.556 20 0 HHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351770 1012064835 /nfs/dbraw/zinc/06/48/35/1012064835.db2.gz WVDVGUQEAXXOCQ-CTNGQTDRSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351770 1012064851 /nfs/dbraw/zinc/06/48/51/1012064851.db2.gz WVDVGUQEAXXOCQ-CTNGQTDRSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351770 1012064872 /nfs/dbraw/zinc/06/48/72/1012064872.db2.gz WVDVGUQEAXXOCQ-CTNGQTDRSA-N 2 2 419.491 3.556 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c(C)c1 ZINC000536840408 1012070557 /nfs/dbraw/zinc/07/05/57/1012070557.db2.gz QONPUQNPOGKCEC-XMSQKQJNSA-N 2 2 412.559 3.964 20 0 HHADLP C[C@H](Cc1ccccc1)n1cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536894575 1012149497 /nfs/dbraw/zinc/14/94/97/1012149497.db2.gz WUGWEXUYBNRZGA-HXUWFJFHSA-N 2 2 408.590 3.580 20 0 HHADLP CN(CCc1cccc2ccccc21)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523599187 1012163040 /nfs/dbraw/zinc/16/30/40/1012163040.db2.gz KCNUOSJATGKFDY-UHFFFAOYSA-N 2 2 408.590 3.582 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942772 1012238424 /nfs/dbraw/zinc/23/84/24/1012238424.db2.gz UUOBLNXYUZIMOJ-WOJBJXKFSA-N 2 2 410.965 3.598 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942772 1012238432 /nfs/dbraw/zinc/23/84/32/1012238432.db2.gz UUOBLNXYUZIMOJ-WOJBJXKFSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000523690705 1012292549 /nfs/dbraw/zinc/29/25/49/1012292549.db2.gz WCKVUJDDRPAYFJ-HNNXBMFYSA-N 2 2 412.365 3.742 20 0 HHADLP Cc1nc([C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000536995562 1012297391 /nfs/dbraw/zinc/29/73/91/1012297391.db2.gz TUQUQQBOMNUUJO-QGZVFWFLSA-N 2 2 419.953 3.524 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000523707372 1012313487 /nfs/dbraw/zinc/31/34/87/1012313487.db2.gz BAQQJSHBAYAUFI-NRFANRHFSA-N 2 2 421.589 3.656 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000552338223 1012349716 /nfs/dbraw/zinc/34/97/16/1012349716.db2.gz BMLUFFDPRPMQHR-SZMVWBNQSA-N 2 2 408.384 3.634 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000552338223 1012349735 /nfs/dbraw/zinc/34/97/35/1012349735.db2.gz BMLUFFDPRPMQHR-SZMVWBNQSA-N 2 2 408.384 3.634 20 0 HHADLP CCOc1ccc([C@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1OCC ZINC000552340457 1012352338 /nfs/dbraw/zinc/35/23/38/1012352338.db2.gz VOKCJSDPMQABBD-VTHDOGFWSA-N 2 2 417.594 3.608 20 0 HHADLP CCOc1ccc([C@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1OCC ZINC000552340457 1012352355 /nfs/dbraw/zinc/35/23/55/1012352355.db2.gz VOKCJSDPMQABBD-VTHDOGFWSA-N 2 2 417.594 3.608 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1OC(F)F ZINC000537042845 1012363592 /nfs/dbraw/zinc/36/35/92/1012363592.db2.gz JIKDMAMTPFMINY-MSOLQXFVSA-N 2 2 417.500 3.844 20 0 HHADLP CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000537050659 1012375232 /nfs/dbraw/zinc/37/52/32/1012375232.db2.gz ULFHWYDJNDVVHF-QFIPXVFZSA-N 2 2 411.546 3.597 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c(C)c2)CC1 ZINC000523788429 1012442111 /nfs/dbraw/zinc/44/21/11/1012442111.db2.gz XRFGJHDBQZLQJL-UHFFFAOYSA-N 2 2 418.545 3.644 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000541661200 1012488785 /nfs/dbraw/zinc/48/87/85/1012488785.db2.gz YATWTOAGTITUTQ-ZBFHGGJFSA-N 2 2 421.010 3.975 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000523863942 1012560714 /nfs/dbraw/zinc/56/07/14/1012560714.db2.gz DHJISXPPSMFNPD-IBGZPJMESA-N 2 2 403.530 3.897 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238404 1012677368 /nfs/dbraw/zinc/67/73/68/1012677368.db2.gz WEHPEVAMZBOCSX-RTWAWAEBSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238404 1012677381 /nfs/dbraw/zinc/67/73/81/1012677381.db2.gz WEHPEVAMZBOCSX-RTWAWAEBSA-N 2 2 413.566 3.937 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537243591 1012685987 /nfs/dbraw/zinc/68/59/87/1012685987.db2.gz RFMHAQYDCPBGIW-SFTDATJTSA-N 2 2 417.598 3.670 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537243591 1012685997 /nfs/dbraw/zinc/68/59/97/1012685997.db2.gz RFMHAQYDCPBGIW-SFTDATJTSA-N 2 2 417.598 3.670 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537250308 1012696232 /nfs/dbraw/zinc/69/62/32/1012696232.db2.gz BZFQQTQABPACHW-DHIUTWEWSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2c1ccn2C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537250308 1012696241 /nfs/dbraw/zinc/69/62/41/1012696241.db2.gz BZFQQTQABPACHW-DHIUTWEWSA-N 2 2 411.594 3.979 20 0 HHADLP CN(CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000541857779 1012739156 /nfs/dbraw/zinc/73/91/56/1012739156.db2.gz ADLYQNGLAIZWDY-LJQANCHMSA-N 2 2 404.917 3.654 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000541901455 1012761749 /nfs/dbraw/zinc/76/17/49/1012761749.db2.gz XPMFZWOYILKRFB-UHFFFAOYSA-N 2 2 407.562 3.977 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542079402 1013001341 /nfs/dbraw/zinc/00/13/41/1013001341.db2.gz KTAFYWISLMPKEG-MOPGFXCFSA-N 2 2 421.948 3.979 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542079402 1013001357 /nfs/dbraw/zinc/00/13/57/1013001357.db2.gz KTAFYWISLMPKEG-MOPGFXCFSA-N 2 2 421.948 3.979 20 0 HHADLP CCC(CC)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCCC1 ZINC000542108120 1013040708 /nfs/dbraw/zinc/04/07/08/1013040708.db2.gz WRNYYDCGQMNDBR-QFIPXVFZSA-N 2 2 403.615 3.986 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684556 1071808360 /nfs/dbraw/zinc/80/83/60/1071808360.db2.gz QYKKQDCRILIVBE-ZEQRLZLVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684556 1071808373 /nfs/dbraw/zinc/80/83/73/1071808373.db2.gz QYKKQDCRILIVBE-ZEQRLZLVSA-N 2 2 420.532 3.940 20 0 HHADLP CCOCc1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1OC ZINC000571447510 1072622184 /nfs/dbraw/zinc/62/21/84/1072622184.db2.gz ACOQKCFTZYVCIH-RUZDIDTESA-N 2 2 423.601 3.624 20 0 HHADLP CCOCc1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1OC ZINC000571447510 1072622190 /nfs/dbraw/zinc/62/21/90/1072622190.db2.gz ACOQKCFTZYVCIH-RUZDIDTESA-N 2 2 423.601 3.624 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392996 1072806572 /nfs/dbraw/zinc/80/65/72/1072806572.db2.gz MGQBLWZOXUVPBL-UONOGXRCSA-N 2 2 422.422 3.659 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392996 1072806580 /nfs/dbraw/zinc/80/65/80/1072806580.db2.gz MGQBLWZOXUVPBL-UONOGXRCSA-N 2 2 422.422 3.659 20 0 HHADLP Brc1ccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168364923 1073150748 /nfs/dbraw/zinc/15/07/48/1073150748.db2.gz JYDBLGXOSUFYPM-UHFFFAOYSA-N 2 2 403.368 3.658 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249913 1073279132 /nfs/dbraw/zinc/27/91/32/1073279132.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249913 1073279138 /nfs/dbraw/zinc/27/91/38/1073279138.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249913 1073279142 /nfs/dbraw/zinc/27/91/42/1073279142.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 2 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249913 1073279147 /nfs/dbraw/zinc/27/91/47/1073279147.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 2 2 406.618 3.618 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000590158150 1073600076 /nfs/dbraw/zinc/60/00/76/1073600076.db2.gz ZBGBNBLZFKWVBX-IEBWSBKVSA-N 2 2 401.942 3.789 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590158152 1073600102 /nfs/dbraw/zinc/60/01/02/1073600102.db2.gz ZBGBNBLZFKWVBX-PKOBYXMFSA-N 2 2 401.942 3.789 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597813 1073664673 /nfs/dbraw/zinc/66/46/73/1073664673.db2.gz IFESSYSNAWAUKH-CLOONOSVSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc2c1 ZINC000555597813 1073664681 /nfs/dbraw/zinc/66/46/81/1073664681.db2.gz IFESSYSNAWAUKH-CLOONOSVSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc2c1 ZINC000555597813 1073664685 /nfs/dbraw/zinc/66/46/85/1073664685.db2.gz IFESSYSNAWAUKH-CLOONOSVSA-N 2 2 409.574 3.613 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc2c1 ZINC000555597813 1073664691 /nfs/dbraw/zinc/66/46/91/1073664691.db2.gz IFESSYSNAWAUKH-CLOONOSVSA-N 2 2 409.574 3.613 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597682 1073665620 /nfs/dbraw/zinc/66/56/20/1073665620.db2.gz LLXWWGMASXSLQN-RPBOFIJWSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597682 1073665623 /nfs/dbraw/zinc/66/56/23/1073665623.db2.gz LLXWWGMASXSLQN-RPBOFIJWSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597682 1073665628 /nfs/dbraw/zinc/66/56/28/1073665628.db2.gz LLXWWGMASXSLQN-RPBOFIJWSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597682 1073665636 /nfs/dbraw/zinc/66/56/36/1073665636.db2.gz LLXWWGMASXSLQN-RPBOFIJWSA-N 2 2 409.549 3.791 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851631 1074017939 /nfs/dbraw/zinc/01/79/39/1074017939.db2.gz WHWDDOLABORQPK-XLIONFOSSA-N 2 2 401.942 3.720 20 0 HHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000591522297 1074364144 /nfs/dbraw/zinc/36/41/44/1074364144.db2.gz CWGFWXLESZDNGO-NRFANRHFSA-N 2 2 424.589 3.984 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000591549279 1074385337 /nfs/dbraw/zinc/38/53/37/1074385337.db2.gz ZKNWYJHLOSIFBZ-UHFFFAOYSA-N 2 2 415.969 3.891 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000592818306 1075121577 /nfs/dbraw/zinc/12/15/77/1075121577.db2.gz HABZYHHIHDAQBI-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000592818306 1075121579 /nfs/dbraw/zinc/12/15/79/1075121579.db2.gz HABZYHHIHDAQBI-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000592818306 1075121582 /nfs/dbraw/zinc/12/15/82/1075121582.db2.gz HABZYHHIHDAQBI-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000592818306 1075121584 /nfs/dbraw/zinc/12/15/84/1075121584.db2.gz HABZYHHIHDAQBI-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344381 1075603396 /nfs/dbraw/zinc/60/33/96/1075603396.db2.gz VLMWZWBFYRFWSL-RBUKOAKNSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344381 1075603398 /nfs/dbraw/zinc/60/33/98/1075603398.db2.gz VLMWZWBFYRFWSL-RBUKOAKNSA-N 2 2 410.965 3.616 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476606 1075620190 /nfs/dbraw/zinc/62/01/90/1075620190.db2.gz HAFAMDAYLVFGGN-LJQANCHMSA-N 2 2 413.587 3.664 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476606 1075620193 /nfs/dbraw/zinc/62/01/93/1075620193.db2.gz HAFAMDAYLVFGGN-LJQANCHMSA-N 2 2 413.587 3.664 20 0 HHADLP CN(C(=O)C1(c2cccc(F)c2)CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478251 1075620495 /nfs/dbraw/zinc/62/04/95/1075620495.db2.gz AVJGZXXJCRNDHV-QFIPXVFZSA-N 2 2 401.570 3.655 20 0 HHADLP CN(C(=O)C1(c2cccc(F)c2)CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478251 1075620499 /nfs/dbraw/zinc/62/04/99/1075620499.db2.gz AVJGZXXJCRNDHV-QFIPXVFZSA-N 2 2 401.570 3.655 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195120 1075710966 /nfs/dbraw/zinc/71/09/66/1075710966.db2.gz KZIHGXYYHSNNKJ-UKRRQHHQSA-N 2 2 416.418 3.759 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195120 1075710973 /nfs/dbraw/zinc/71/09/73/1075710973.db2.gz KZIHGXYYHSNNKJ-UKRRQHHQSA-N 2 2 416.418 3.759 20 0 HHADLP Cc1cccc(Nc2ccccc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602202402 1075712112 /nfs/dbraw/zinc/71/21/12/1075712112.db2.gz JJNUXDJMKMCJTR-FQEVSTJZSA-N 2 2 406.574 3.945 20 0 HHADLP Cc1cccc(Nc2ccccc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602202402 1075712121 /nfs/dbraw/zinc/71/21/21/1075712121.db2.gz JJNUXDJMKMCJTR-FQEVSTJZSA-N 2 2 406.574 3.945 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)C2)CC1 ZINC000602205192 1075713325 /nfs/dbraw/zinc/71/33/25/1075713325.db2.gz USUPOTOQVZXXKH-GOSISDBHSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)cc4F)cc3)C2)CC1 ZINC000602205192 1075713330 /nfs/dbraw/zinc/71/33/30/1075713330.db2.gz USUPOTOQVZXXKH-GOSISDBHSA-N 2 2 415.484 3.655 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000602200619 1075717146 /nfs/dbraw/zinc/71/71/46/1075717146.db2.gz FFSWPEZFEZLQBC-HNNXBMFYSA-N 2 2 423.401 3.623 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000602200619 1075717150 /nfs/dbraw/zinc/71/71/50/1075717150.db2.gz FFSWPEZFEZLQBC-HNNXBMFYSA-N 2 2 423.401 3.623 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164809941 721539405 /nfs/dbraw/zinc/53/94/05/721539405.db2.gz VVVCOFZNSOLQNA-VJBWXMMDSA-N 2 2 404.514 3.507 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164809941 721539408 /nfs/dbraw/zinc/53/94/08/721539408.db2.gz VVVCOFZNSOLQNA-VJBWXMMDSA-N 2 2 404.514 3.507 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc[nH+]2)C1 ZINC001165026332 721827445 /nfs/dbraw/zinc/82/74/45/721827445.db2.gz OVLIMHOKNMGNKK-IRMYBRCSSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc[nH+]2)C1 ZINC001165026332 721827447 /nfs/dbraw/zinc/82/74/47/721827447.db2.gz OVLIMHOKNMGNKK-IRMYBRCSSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cn2)C1 ZINC001165026332 721827450 /nfs/dbraw/zinc/82/74/50/721827450.db2.gz OVLIMHOKNMGNKK-IRMYBRCSSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cn2)C1 ZINC001165026332 721827452 /nfs/dbraw/zinc/82/74/52/721827452.db2.gz OVLIMHOKNMGNKK-IRMYBRCSSA-N 2 2 420.605 3.845 20 0 HHADLP CC[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542111830 1013045424 /nfs/dbraw/zinc/04/54/24/1013045424.db2.gz STHYODQENYLDJR-DEOSSOPVSA-N 2 2 423.605 3.922 20 0 HHADLP CC[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542111830 1013045437 /nfs/dbraw/zinc/04/54/37/1013045437.db2.gz STHYODQENYLDJR-DEOSSOPVSA-N 2 2 423.605 3.922 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)CC1 ZINC000301231663 970822222 /nfs/dbraw/zinc/82/22/22/970822222.db2.gz HZJFOPWELFJLGT-JOCHJYFZSA-N 2 2 409.578 3.529 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)CC1 ZINC000301231663 970822231 /nfs/dbraw/zinc/82/22/31/970822231.db2.gz HZJFOPWELFJLGT-JOCHJYFZSA-N 2 2 409.578 3.529 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000301468722 970944948 /nfs/dbraw/zinc/94/49/48/970944948.db2.gz ROTGMTQDOZBPOX-SFHVURJKSA-N 2 2 405.571 3.870 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)cc2)C[C@H](C)O1 ZINC000301845806 971084366 /nfs/dbraw/zinc/08/43/66/971084366.db2.gz TVIIZMDYGXZGGM-CALCHBBNSA-N 2 2 408.550 3.803 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)cc2)C[C@H](C)O1 ZINC000301845806 971084370 /nfs/dbraw/zinc/08/43/70/971084370.db2.gz TVIIZMDYGXZGGM-CALCHBBNSA-N 2 2 408.550 3.803 20 0 HHADLP Cc1nc2scc(CC(C)C)c2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301855207 971087318 /nfs/dbraw/zinc/08/73/18/971087318.db2.gz QYIHKDKHVHIYSM-YOFSQIOKSA-N 2 2 413.635 3.945 20 0 HHADLP Cc1nc2scc(CC(C)C)c2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301855207 971087328 /nfs/dbraw/zinc/08/73/28/971087328.db2.gz QYIHKDKHVHIYSM-YOFSQIOKSA-N 2 2 413.635 3.945 20 0 HHADLP O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132024 1013063470 /nfs/dbraw/zinc/06/34/70/1013063470.db2.gz GMQMGOZMFRGDLS-LJQANCHMSA-N 2 2 411.468 3.834 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)[nH+]1 ZINC000302167707 971193822 /nfs/dbraw/zinc/19/38/22/971193822.db2.gz PHSFQEAMANQTHJ-UHFFFAOYSA-N 2 2 418.332 3.628 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000302690556 971281251 /nfs/dbraw/zinc/28/12/51/971281251.db2.gz ZJCUNKQEKDSFRW-FQEVSTJZSA-N 2 2 418.541 3.861 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)c(C)c[nH+]c12 ZINC000302690556 971281261 /nfs/dbraw/zinc/28/12/61/971281261.db2.gz ZJCUNKQEKDSFRW-FQEVSTJZSA-N 2 2 418.541 3.861 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000302982629 971435090 /nfs/dbraw/zinc/43/50/90/971435090.db2.gz DIVLZIAKQQHHAE-UHFFFAOYSA-N 2 2 421.570 3.802 20 0 HHADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303041735 971473013 /nfs/dbraw/zinc/47/30/13/971473013.db2.gz SIWPOSGUAUNZTJ-FQEVSTJZSA-N 2 2 416.516 3.717 20 0 HHADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303041735 971473019 /nfs/dbraw/zinc/47/30/19/971473019.db2.gz SIWPOSGUAUNZTJ-FQEVSTJZSA-N 2 2 416.516 3.717 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)C[C@H](C)O1 ZINC000542166444 1013103599 /nfs/dbraw/zinc/10/35/99/1013103599.db2.gz HSGCTGVACYCHJJ-OYRHEFFESA-N 2 2 424.589 3.825 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)C[C@H](C)O1 ZINC000542166444 1013103607 /nfs/dbraw/zinc/10/36/07/1013103607.db2.gz HSGCTGVACYCHJJ-OYRHEFFESA-N 2 2 424.589 3.825 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447136 971742016 /nfs/dbraw/zinc/74/20/16/971742016.db2.gz ITMGROYHXSZURA-NLFFAJNJSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447136 971742029 /nfs/dbraw/zinc/74/20/29/971742029.db2.gz ITMGROYHXSZURA-NLFFAJNJSA-N 2 2 421.585 3.785 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303485450 971784959 /nfs/dbraw/zinc/78/49/59/971784959.db2.gz QWDDIFSVKMRRHI-NOTZXAQLSA-N 2 2 419.573 3.677 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303485450 971784966 /nfs/dbraw/zinc/78/49/66/971784966.db2.gz QWDDIFSVKMRRHI-NOTZXAQLSA-N 2 2 419.573 3.677 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000303595989 971887981 /nfs/dbraw/zinc/88/79/81/971887981.db2.gz IYYUZAPOBKAGBX-ZJSXRUAMSA-N 2 2 421.589 3.615 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000303642020 971921316 /nfs/dbraw/zinc/92/13/16/971921316.db2.gz IFOYFIVNIREQPW-IBGZPJMESA-N 2 2 407.562 3.707 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180407 1013120460 /nfs/dbraw/zinc/12/04/60/1013120460.db2.gz UGUCBKILLQAMOX-VJBWXMMDSA-N 2 2 407.643 3.910 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180407 1013120464 /nfs/dbraw/zinc/12/04/64/1013120464.db2.gz UGUCBKILLQAMOX-VJBWXMMDSA-N 2 2 407.643 3.910 20 0 HHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000303776756 972021171 /nfs/dbraw/zinc/02/11/71/972021171.db2.gz RRCJHKZYFKSXAN-INIZCTEOSA-N 2 2 411.512 3.559 20 0 HHADLP COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000009903074 961708660 /nfs/dbraw/zinc/70/86/60/961708660.db2.gz OOTLYNVBSDOQAE-GBXCKJPGSA-N 2 2 407.558 3.738 20 0 HHADLP COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000009903074 961708672 /nfs/dbraw/zinc/70/86/72/961708672.db2.gz OOTLYNVBSDOQAE-GBXCKJPGSA-N 2 2 407.558 3.738 20 0 HHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000537777489 1013340631 /nfs/dbraw/zinc/34/06/31/1013340631.db2.gz URNHEAUQACQMKJ-CHAGWJKLSA-N 2 2 405.995 3.680 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537788615 1013349280 /nfs/dbraw/zinc/34/92/80/1013349280.db2.gz YEMKFELGPQNAMY-UHFFFAOYSA-N 2 2 403.530 3.954 20 0 HHADLP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000542409928 1013362486 /nfs/dbraw/zinc/36/24/86/1013362486.db2.gz BUZFGAUJYZYHSO-UHFFFAOYSA-N 2 2 413.393 3.695 20 0 HHADLP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000542409928 1013362497 /nfs/dbraw/zinc/36/24/97/1013362497.db2.gz BUZFGAUJYZYHSO-UHFFFAOYSA-N 2 2 413.393 3.695 20 0 HHADLP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553546820 1013442701 /nfs/dbraw/zinc/44/27/01/1013442701.db2.gz OSASPTORTCVVER-ISKFKSNPSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553546820 1013442704 /nfs/dbraw/zinc/44/27/04/1013442704.db2.gz OSASPTORTCVVER-ISKFKSNPSA-N 2 2 408.590 3.637 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000048965391 964099290 /nfs/dbraw/zinc/09/92/90/964099290.db2.gz USDIGSAWBZCXNO-NRFANRHFSA-N 2 2 411.575 3.875 20 0 HHADLP COc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1-c1ccccc1 ZINC000050797398 964400326 /nfs/dbraw/zinc/40/03/26/964400326.db2.gz QLXSNHXRJYERLY-UHFFFAOYSA-N 2 2 407.558 3.651 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC000050800826 964401347 /nfs/dbraw/zinc/40/13/47/964401347.db2.gz OVNOEZWCSNKKTL-UHFFFAOYSA-N 2 2 401.498 3.587 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C4SCCCS4)cc3)CC2)CC1 ZINC000050801435 964401904 /nfs/dbraw/zinc/40/19/04/964401904.db2.gz HSYUNLRIQOSQAR-UHFFFAOYSA-N 2 2 419.660 3.844 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000051240002 964503881 /nfs/dbraw/zinc/50/38/81/964503881.db2.gz XBTPVFSWLJIAGM-CQSZACIVSA-N 2 2 413.393 3.912 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960201 1013539639 /nfs/dbraw/zinc/53/96/39/1013539639.db2.gz MUOPWBXSSDQARV-JBYIUTFZSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960201 1013539658 /nfs/dbraw/zinc/53/96/58/1013539658.db2.gz MUOPWBXSSDQARV-JBYIUTFZSA-N 2 2 421.507 3.752 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609473 1013544989 /nfs/dbraw/zinc/54/49/89/1013544989.db2.gz LCROEASUDZOIKA-MBSDFSHPSA-N 2 2 415.541 3.962 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)cc[nH+]1 ZINC000542609473 1013544994 /nfs/dbraw/zinc/54/49/94/1013544994.db2.gz LCROEASUDZOIKA-MBSDFSHPSA-N 2 2 415.541 3.962 20 0 HHADLP CCCC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000537976045 1013552008 /nfs/dbraw/zinc/55/20/08/1013552008.db2.gz JRVRGFBMEYGFSW-VXKWHMMOSA-N 2 2 409.578 3.803 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000537982469 1013558140 /nfs/dbraw/zinc/55/81/40/1013558140.db2.gz ABSZDGDAZGQLQL-IBGZPJMESA-N 2 2 411.468 3.687 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000537986988 1013561661 /nfs/dbraw/zinc/56/16/61/1013561661.db2.gz MTTWJPVDKMRGOM-WZONZLPQSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000537986988 1013561667 /nfs/dbraw/zinc/56/16/67/1013561667.db2.gz MTTWJPVDKMRGOM-WZONZLPQSA-N 2 2 415.603 3.792 20 0 HHADLP O=C(C[NH2+]C1(Cc2ccccc2)CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000542627058 1013562496 /nfs/dbraw/zinc/56/24/96/1013562496.db2.gz LWUHUBWAQWXALH-UHFFFAOYSA-N 2 2 407.558 3.602 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)c2)cc[nH+]1 ZINC000553733451 1013578035 /nfs/dbraw/zinc/57/80/35/1013578035.db2.gz AYRRTOSIIYGJCC-UHFFFAOYSA-N 2 2 409.578 4.124 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000030909719 965829697 /nfs/dbraw/zinc/82/96/97/965829697.db2.gz VUGUHHHWLRDQQR-SNVBAGLBSA-N 2 2 403.118 3.595 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000060545026 966197868 /nfs/dbraw/zinc/19/78/68/966197868.db2.gz LKJROBUGKXWQQO-UHFFFAOYSA-N 2 2 410.562 3.821 20 0 HHADLP C[NH+](C)C1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000061113955 966374054 /nfs/dbraw/zinc/37/40/54/966374054.db2.gz UYNKHNHRXARHDR-SFHVURJKSA-N 2 2 410.965 3.790 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061790226 966554461 /nfs/dbraw/zinc/55/44/61/966554461.db2.gz KNLYZZKZDKYXLE-UHFFFAOYSA-N 2 2 424.614 3.894 20 0 HHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791855 966555313 /nfs/dbraw/zinc/55/53/13/966555313.db2.gz LLTUQARMSODRAM-FQEVSTJZSA-N 2 2 415.607 3.711 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000538117222 1013677940 /nfs/dbraw/zinc/67/79/40/1013677940.db2.gz CPZMCSLEFXYCME-NHCUHLMSSA-N 2 2 412.578 3.964 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000538117222 1013677948 /nfs/dbraw/zinc/67/79/48/1013677948.db2.gz CPZMCSLEFXYCME-NHCUHLMSSA-N 2 2 412.578 3.964 20 0 HHADLP O=C(CC[N@H+](CCc1ccccc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000063754748 966947795 /nfs/dbraw/zinc/94/77/95/966947795.db2.gz LFAPXLABCLCTLI-UHFFFAOYSA-N 2 2 406.574 3.608 20 0 HHADLP O=C(CC[N@@H+](CCc1ccccc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000063754748 966947801 /nfs/dbraw/zinc/94/78/01/966947801.db2.gz LFAPXLABCLCTLI-UHFFFAOYSA-N 2 2 406.574 3.608 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)c2C1 ZINC000063822983 966969721 /nfs/dbraw/zinc/96/97/21/966969721.db2.gz LGNLTOOMMTZJTR-IBGZPJMESA-N 2 2 408.590 3.997 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCC[NH+]3CCCC[C@@H]3C)c2C1 ZINC000063822983 966969730 /nfs/dbraw/zinc/96/97/30/966969730.db2.gz LGNLTOOMMTZJTR-IBGZPJMESA-N 2 2 408.590 3.997 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c2C1 ZINC000063822983 966969739 /nfs/dbraw/zinc/96/97/39/966969739.db2.gz LGNLTOOMMTZJTR-IBGZPJMESA-N 2 2 408.590 3.997 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c2C1 ZINC000063822983 966969746 /nfs/dbraw/zinc/96/97/46/966969746.db2.gz LGNLTOOMMTZJTR-IBGZPJMESA-N 2 2 408.590 3.997 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000043546477 966995626 /nfs/dbraw/zinc/99/56/26/966995626.db2.gz ZOQNPCDYDINQJK-PBHICJAKSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000043546477 966995630 /nfs/dbraw/zinc/99/56/30/966995630.db2.gz ZOQNPCDYDINQJK-PBHICJAKSA-N 2 2 407.609 3.861 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000043800653 967036894 /nfs/dbraw/zinc/03/68/94/967036894.db2.gz XOOCZXFHMLVEDF-OAQYLSRUSA-N 2 2 415.969 3.516 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848230 1013707293 /nfs/dbraw/zinc/70/72/93/1013707293.db2.gz KHWUZCNVONORNM-NTKDMRAZSA-N 2 2 419.573 3.692 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848230 1013707298 /nfs/dbraw/zinc/70/72/98/1013707298.db2.gz KHWUZCNVONORNM-NTKDMRAZSA-N 2 2 419.573 3.692 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000065441670 967467666 /nfs/dbraw/zinc/46/76/66/967467666.db2.gz FNWKSHYHDIZNGS-APWZRJJASA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000065441670 967467670 /nfs/dbraw/zinc/46/76/70/967467670.db2.gz FNWKSHYHDIZNGS-APWZRJJASA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000045486805 967474919 /nfs/dbraw/zinc/47/49/19/967474919.db2.gz FHHSGZWIDDLUTR-NRFANRHFSA-N 2 2 413.566 3.533 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000542884661 1013732919 /nfs/dbraw/zinc/73/29/19/1013732919.db2.gz BFUQOIZEGMLKSO-ORAYPTAESA-N 2 2 413.319 3.820 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000542884662 1013733057 /nfs/dbraw/zinc/73/30/57/1013733057.db2.gz BFUQOIZEGMLKSO-YJYMSZOUSA-N 2 2 413.319 3.820 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000047039647 968037447 /nfs/dbraw/zinc/03/74/47/968037447.db2.gz LIOLTCFBYLJGTE-KDURUIRLSA-N 2 2 402.608 3.750 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000047039647 968037449 /nfs/dbraw/zinc/03/74/49/968037449.db2.gz LIOLTCFBYLJGTE-KDURUIRLSA-N 2 2 402.608 3.750 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097360659 969128406 /nfs/dbraw/zinc/12/84/06/969128406.db2.gz UZWUYGVCGJIMQF-QHCPKHFHSA-N 2 2 403.530 3.568 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@@H+]3C[C@@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272969 1013887050 /nfs/dbraw/zinc/88/70/50/1013887050.db2.gz ZEDGYGSQQFHTQD-GKIBHXGMSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[NH+](CC2(C[N@H+]3C[C@@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272969 1013887056 /nfs/dbraw/zinc/88/70/56/1013887056.db2.gz ZEDGYGSQQFHTQD-GKIBHXGMSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2(C[NH+]3C[C@@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272969 1013887059 /nfs/dbraw/zinc/88/70/59/1013887059.db2.gz ZEDGYGSQQFHTQD-GKIBHXGMSA-N 2 2 406.574 3.959 20 0 HHADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2(C[NH+]3C[C@@H](C)C[C@H]3c3cccnc3)COC2)C1 ZINC000554272969 1013887065 /nfs/dbraw/zinc/88/70/65/1013887065.db2.gz ZEDGYGSQQFHTQD-GKIBHXGMSA-N 2 2 406.574 3.959 20 0 HHADLP CC(C)c1nc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000112681541 969824091 /nfs/dbraw/zinc/82/40/91/969824091.db2.gz NNAMHKBOZPQGPA-UHFFFAOYSA-N 2 2 403.596 3.909 20 0 HHADLP CC(C)c1nc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000112681541 969824105 /nfs/dbraw/zinc/82/41/05/969824105.db2.gz NNAMHKBOZPQGPA-UHFFFAOYSA-N 2 2 403.596 3.909 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000141741392 970128525 /nfs/dbraw/zinc/12/85/25/970128525.db2.gz BTOPUXSSCVYATG-XMMPIXPASA-N 2 2 417.557 3.876 20 0 HHADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000229274491 970130400 /nfs/dbraw/zinc/13/04/00/970130400.db2.gz IUPQFPVGQVTDKE-FGTMMUONSA-N 2 2 405.608 3.557 20 0 HHADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000229274491 970130405 /nfs/dbraw/zinc/13/04/05/970130405.db2.gz IUPQFPVGQVTDKE-FGTMMUONSA-N 2 2 405.608 3.557 20 0 HHADLP CN(C)C(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000237076572 970219070 /nfs/dbraw/zinc/21/90/70/970219070.db2.gz FRYDRUKQTIFWMB-UHFFFAOYSA-N 2 2 413.525 3.918 20 0 HHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237612873 970322235 /nfs/dbraw/zinc/32/22/35/970322235.db2.gz BWMIVJLWQYEBPG-IRXDYDNUSA-N 2 2 404.986 3.791 20 0 HHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000237746721 970353410 /nfs/dbraw/zinc/35/34/10/970353410.db2.gz XVXJCZHZFPYRIN-UHFFFAOYSA-N 2 2 417.479 3.655 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000251857948 970550465 /nfs/dbraw/zinc/55/04/65/970550465.db2.gz SDXNBYUUKRPNHJ-YPAWHYETSA-N 2 2 421.585 3.642 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000251857948 970550478 /nfs/dbraw/zinc/55/04/78/970550478.db2.gz SDXNBYUUKRPNHJ-YPAWHYETSA-N 2 2 421.585 3.642 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCC(C)CC1 ZINC000409479970 972929207 /nfs/dbraw/zinc/92/92/07/972929207.db2.gz ZUPHWZNQJXUFAH-OAQYLSRUSA-N 2 2 401.530 3.567 20 0 HHADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554841600 1014071073 /nfs/dbraw/zinc/07/10/73/1014071073.db2.gz JQOLTPDUPCLECZ-DEOSSOPVSA-N 2 2 423.601 3.730 20 0 HHADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554841600 1014071078 /nfs/dbraw/zinc/07/10/78/1014071078.db2.gz JQOLTPDUPCLECZ-DEOSSOPVSA-N 2 2 423.601 3.730 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000426245866 974340741 /nfs/dbraw/zinc/34/07/41/974340741.db2.gz XGJAUWNIYFWARM-DHIUTWEWSA-N 2 2 403.530 3.673 20 0 HHADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426788446 974660056 /nfs/dbraw/zinc/66/00/56/974660056.db2.gz NIDZZDZQGLLHAW-BRWVUGGUSA-N 2 2 409.521 3.503 20 0 HHADLP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600686 975207486 /nfs/dbraw/zinc/20/74/86/975207486.db2.gz HUWSTYZNAQHDSF-RUZDIDTESA-N 2 2 420.601 3.604 20 0 HHADLP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600686 975207491 /nfs/dbraw/zinc/20/74/91/975207491.db2.gz HUWSTYZNAQHDSF-RUZDIDTESA-N 2 2 420.601 3.604 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689976 975239737 /nfs/dbraw/zinc/23/97/37/975239737.db2.gz KWLWKAJXCPORLJ-WEYGHZABSA-N 2 2 419.491 3.950 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689976 975239741 /nfs/dbraw/zinc/23/97/41/975239741.db2.gz KWLWKAJXCPORLJ-WEYGHZABSA-N 2 2 419.491 3.950 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842652 975317266 /nfs/dbraw/zinc/31/72/66/975317266.db2.gz KUEAXIJRVFKUBJ-XXBNENTESA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842652 975317270 /nfs/dbraw/zinc/31/72/70/975317270.db2.gz KUEAXIJRVFKUBJ-XXBNENTESA-N 2 2 415.603 3.642 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)c1 ZINC000427880734 975331428 /nfs/dbraw/zinc/33/14/28/975331428.db2.gz GURAMESHHQEHSP-RXVVDRJESA-N 2 2 415.946 3.634 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890189 975334688 /nfs/dbraw/zinc/33/46/88/975334688.db2.gz ZAKOBYIEXFVSGG-AUSIDOKSSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890189 975334691 /nfs/dbraw/zinc/33/46/91/975334691.db2.gz ZAKOBYIEXFVSGG-AUSIDOKSSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894178 975336318 /nfs/dbraw/zinc/33/63/18/975336318.db2.gz KKZFGUCJCLENMA-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894178 975336324 /nfs/dbraw/zinc/33/63/24/975336324.db2.gz KKZFGUCJCLENMA-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894167 975336450 /nfs/dbraw/zinc/33/64/50/975336450.db2.gz KKZFGUCJCLENMA-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894167 975336454 /nfs/dbraw/zinc/33/64/54/975336454.db2.gz KKZFGUCJCLENMA-AVRDEDQJSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428302083 975612013 /nfs/dbraw/zinc/61/20/13/975612013.db2.gz FBOROCPZAPHMIK-NFBKMPQASA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428302083 975612020 /nfs/dbraw/zinc/61/20/20/975612020.db2.gz FBOROCPZAPHMIK-NFBKMPQASA-N 2 2 421.589 3.924 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(Br)cc1 ZINC000428533933 975829372 /nfs/dbraw/zinc/82/93/72/975829372.db2.gz HTOVJCQSWXNMTM-HNNXBMFYSA-N 2 2 406.349 3.637 20 0 HHADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428537199 975835233 /nfs/dbraw/zinc/83/52/33/975835233.db2.gz KZONYKDKVJPPBB-IBGZPJMESA-N 2 2 406.473 3.677 20 0 HHADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC(F)F ZINC000428537199 975835247 /nfs/dbraw/zinc/83/52/47/975835247.db2.gz KZONYKDKVJPPBB-IBGZPJMESA-N 2 2 406.473 3.677 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000428615831 975921573 /nfs/dbraw/zinc/92/15/73/975921573.db2.gz GXLOVJSBRGCLFV-UZLBHIALSA-N 2 2 401.580 3.505 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000428615831 975921582 /nfs/dbraw/zinc/92/15/82/975921582.db2.gz GXLOVJSBRGCLFV-UZLBHIALSA-N 2 2 401.580 3.505 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)C3CCC(F)(F)CC3)n2)CC1 ZINC000428966941 976255027 /nfs/dbraw/zinc/25/50/27/976255027.db2.gz WJFSEOALGXYLSO-UHFFFAOYSA-N 2 2 400.539 3.823 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)C3CCC(F)(F)CC3)n2)CC1 ZINC000428966941 976255039 /nfs/dbraw/zinc/25/50/39/976255039.db2.gz WJFSEOALGXYLSO-UHFFFAOYSA-N 2 2 400.539 3.823 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429011743 976292844 /nfs/dbraw/zinc/29/28/44/976292844.db2.gz RXFUULXWNRDVDP-LJQANCHMSA-N 2 2 404.283 3.906 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038882 976323182 /nfs/dbraw/zinc/32/31/82/976323182.db2.gz GQMZEXFLSLKPGZ-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038882 976323195 /nfs/dbraw/zinc/32/31/95/976323195.db2.gz GQMZEXFLSLKPGZ-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429038882 976323202 /nfs/dbraw/zinc/32/32/02/976323202.db2.gz GQMZEXFLSLKPGZ-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429038882 976323215 /nfs/dbraw/zinc/32/32/15/976323215.db2.gz GQMZEXFLSLKPGZ-AREMUKBSSA-N 2 2 421.585 3.642 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429254611 976543497 /nfs/dbraw/zinc/54/34/97/976543497.db2.gz NJFOKQIHAVSIRM-UHFFFAOYSA-N 2 2 408.550 3.599 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000429254611 976543503 /nfs/dbraw/zinc/54/35/03/976543503.db2.gz NJFOKQIHAVSIRM-UHFFFAOYSA-N 2 2 408.550 3.599 20 0 HHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426152 976703941 /nfs/dbraw/zinc/70/39/41/976703941.db2.gz MZFWMIBZFIDXRP-NFBKMPQASA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426152 976703947 /nfs/dbraw/zinc/70/39/47/976703947.db2.gz MZFWMIBZFIDXRP-NFBKMPQASA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426157 976704079 /nfs/dbraw/zinc/70/40/79/976704079.db2.gz MZFWMIBZFIDXRP-NZQKXSOJSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426157 976704088 /nfs/dbraw/zinc/70/40/88/976704088.db2.gz MZFWMIBZFIDXRP-NZQKXSOJSA-N 2 2 409.574 3.901 20 0 HHADLP Fc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000429431158 976710163 /nfs/dbraw/zinc/71/01/63/976710163.db2.gz SRWFZTGYGATJAR-QFIPXVFZSA-N 2 2 415.528 3.814 20 0 HHADLP Fc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000429431158 976710171 /nfs/dbraw/zinc/71/01/71/976710171.db2.gz SRWFZTGYGATJAR-QFIPXVFZSA-N 2 2 415.528 3.814 20 0 HHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432780 976712103 /nfs/dbraw/zinc/71/21/03/976712103.db2.gz VJESPLGMTPMLHH-LOSJGSFVSA-N 2 2 419.573 3.599 20 0 HHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432780 976712111 /nfs/dbraw/zinc/71/21/11/976712111.db2.gz VJESPLGMTPMLHH-LOSJGSFVSA-N 2 2 419.573 3.599 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442487 976721473 /nfs/dbraw/zinc/72/14/73/976721473.db2.gz LAGUNVVSRBWDRW-PGRDOPGGSA-N 2 2 411.546 3.595 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442487 976721480 /nfs/dbraw/zinc/72/14/80/976721480.db2.gz LAGUNVVSRBWDRW-PGRDOPGGSA-N 2 2 411.546 3.595 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634638 976924134 /nfs/dbraw/zinc/92/41/34/976924134.db2.gz LZDHVKFBKHEECK-WTNAPCKOSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634638 976924149 /nfs/dbraw/zinc/92/41/49/976924149.db2.gz LZDHVKFBKHEECK-WTNAPCKOSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634640 976924669 /nfs/dbraw/zinc/92/46/69/976924669.db2.gz LZDHVKFBKHEECK-YHYVQYDKSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634640 976924674 /nfs/dbraw/zinc/92/46/74/976924674.db2.gz LZDHVKFBKHEECK-YHYVQYDKSA-N 2 2 416.614 3.655 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691953 976984643 /nfs/dbraw/zinc/98/46/43/976984643.db2.gz QANWBKFHZLFSFL-DHLKQENFSA-N 2 2 408.542 3.790 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691953 976984651 /nfs/dbraw/zinc/98/46/51/976984651.db2.gz QANWBKFHZLFSFL-DHLKQENFSA-N 2 2 408.542 3.790 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000430911543 977880419 /nfs/dbraw/zinc/88/04/19/977880419.db2.gz HPRLAEQXCROGEX-NRFANRHFSA-N 2 2 404.514 3.643 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000430911543 977880439 /nfs/dbraw/zinc/88/04/39/977880439.db2.gz HPRLAEQXCROGEX-NRFANRHFSA-N 2 2 404.514 3.643 20 0 HHADLP c1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc(OCC[NH+]2CCOCC2)c1 ZINC000431348847 978226523 /nfs/dbraw/zinc/22/65/23/978226523.db2.gz KGRUCLKNLQUWEZ-VWLOTQADSA-N 2 2 422.569 3.890 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699898 978444412 /nfs/dbraw/zinc/44/44/12/978444412.db2.gz SROLBOOEGGQFLP-PQNGQFLHSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699898 978444413 /nfs/dbraw/zinc/44/44/13/978444413.db2.gz SROLBOOEGGQFLP-PQNGQFLHSA-N 2 2 421.589 3.523 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431777862 978505208 /nfs/dbraw/zinc/50/52/08/978505208.db2.gz DKWVHIXXMJQGIS-FQEVSTJZSA-N 2 2 408.571 3.564 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431777862 978505213 /nfs/dbraw/zinc/50/52/13/978505213.db2.gz DKWVHIXXMJQGIS-FQEVSTJZSA-N 2 2 408.571 3.564 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431853984 978553980 /nfs/dbraw/zinc/55/39/80/978553980.db2.gz MBCCUFTZDIKHSF-NZQKXSOJSA-N 2 2 402.542 3.643 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431853984 978553982 /nfs/dbraw/zinc/55/39/82/978553982.db2.gz MBCCUFTZDIKHSF-NZQKXSOJSA-N 2 2 402.542 3.643 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000432716051 978946694 /nfs/dbraw/zinc/94/66/94/978946694.db2.gz AJDCHZBYSOOAOM-QFIPXVFZSA-N 2 2 414.594 3.780 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000432716051 978946696 /nfs/dbraw/zinc/94/66/96/978946696.db2.gz AJDCHZBYSOOAOM-QFIPXVFZSA-N 2 2 414.594 3.780 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433981303 979731595 /nfs/dbraw/zinc/73/15/95/979731595.db2.gz NUEZVEAAVZRLMX-OAQYLSRUSA-N 2 2 414.937 3.562 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434282807 980042664 /nfs/dbraw/zinc/04/26/64/980042664.db2.gz NDKJTGFYCVGRKK-HXUWFJFHSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434282807 980042668 /nfs/dbraw/zinc/04/26/68/980042668.db2.gz NDKJTGFYCVGRKK-HXUWFJFHSA-N 2 2 401.599 3.619 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000434288549 980048968 /nfs/dbraw/zinc/04/89/68/980048968.db2.gz OQQSMYSFEGEOOO-FCHUYYIVSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000434288549 980048973 /nfs/dbraw/zinc/04/89/73/980048973.db2.gz OQQSMYSFEGEOOO-FCHUYYIVSA-N 2 2 407.562 3.554 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000434987950 980552006 /nfs/dbraw/zinc/55/20/06/980552006.db2.gz WUMTWPYRYNZGPY-QHCPKHFHSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000435370970 980819638 /nfs/dbraw/zinc/81/96/38/980819638.db2.gz KQQJAWBTTCMXGM-JOCHJYFZSA-N 2 2 412.497 3.768 20 0 HHADLP O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000435370970 980819644 /nfs/dbraw/zinc/81/96/44/980819644.db2.gz KQQJAWBTTCMXGM-JOCHJYFZSA-N 2 2 412.497 3.768 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC3(CCCC3)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000435569161 980945336 /nfs/dbraw/zinc/94/53/36/980945336.db2.gz WTWNGQSGQRZXIF-UHFFFAOYSA-N 2 2 410.606 3.978 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047595 981178284 /nfs/dbraw/zinc/17/82/84/981178284.db2.gz IOSKWHPJVBMDML-DHIUTWEWSA-N 2 2 413.606 3.982 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047595 981178287 /nfs/dbraw/zinc/17/82/87/981178287.db2.gz IOSKWHPJVBMDML-DHIUTWEWSA-N 2 2 413.606 3.982 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525527 981854330 /nfs/dbraw/zinc/85/43/30/981854330.db2.gz RFMDIAZWBIOZAW-PBEJRMEISA-N 2 2 424.992 3.815 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525527 981854339 /nfs/dbraw/zinc/85/43/39/981854339.db2.gz RFMDIAZWBIOZAW-PBEJRMEISA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525527 981854348 /nfs/dbraw/zinc/85/43/48/981854348.db2.gz RFMDIAZWBIOZAW-PBEJRMEISA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[C@H](C)C1 ZINC000448525527 981854355 /nfs/dbraw/zinc/85/43/55/981854355.db2.gz RFMDIAZWBIOZAW-PBEJRMEISA-N 2 2 424.992 3.815 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460110663 981885818 /nfs/dbraw/zinc/88/58/18/981885818.db2.gz MRKAJJSNSSOTFO-XZOQPEGZSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460110663 981885823 /nfs/dbraw/zinc/88/58/23/981885823.db2.gz MRKAJJSNSSOTFO-XZOQPEGZSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460336225 982108789 /nfs/dbraw/zinc/10/87/89/982108789.db2.gz BIWORIZDXLBGCE-GOTSBHOMSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460336225 982108795 /nfs/dbraw/zinc/10/87/95/982108795.db2.gz BIWORIZDXLBGCE-GOTSBHOMSA-N 2 2 415.541 3.536 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000460345665 982116805 /nfs/dbraw/zinc/11/68/05/982116805.db2.gz DDXPWFCLBBXONI-LFUKPOHLSA-N 2 2 415.607 3.565 20 0 HHADLP CCCCc1nnc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000460345665 982116807 /nfs/dbraw/zinc/11/68/07/982116807.db2.gz DDXPWFCLBBXONI-LFUKPOHLSA-N 2 2 415.607 3.565 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1)C(C)C ZINC000460481927 982273929 /nfs/dbraw/zinc/27/39/29/982273929.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 3 2 414.638 3.597 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1)C(C)C ZINC000460481927 982273931 /nfs/dbraw/zinc/27/39/31/982273931.db2.gz WPYHURGDARWMNR-UHFFFAOYSA-N 3 2 414.638 3.597 20 0 HHADLP CC(C)c1ccc(SCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460484350 982276780 /nfs/dbraw/zinc/27/67/80/982276780.db2.gz WPADADCGYHYAKR-UHFFFAOYSA-N 2 2 403.636 3.969 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(Cl)cc3cccnc32)([NH+]2CCCCC2)CC1 ZINC000460491510 982281027 /nfs/dbraw/zinc/28/10/27/982281027.db2.gz HOBXGZMQHUHSBN-UHFFFAOYSA-N 2 2 400.954 3.568 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ncoc2-c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000460494932 982284212 /nfs/dbraw/zinc/28/42/12/982284212.db2.gz ZMYNWIACHAJQFL-UHFFFAOYSA-N 2 2 416.953 3.675 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000437918901 982462714 /nfs/dbraw/zinc/46/27/14/982462714.db2.gz XOBUAZALRGCRSC-HXUWFJFHSA-N 2 2 403.958 3.714 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947627 982683033 /nfs/dbraw/zinc/68/30/33/982683033.db2.gz SGJPYNOBWDAYGP-WOJBJXKFSA-N 2 2 410.389 3.772 20 0 HHADLP COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000438297246 982707562 /nfs/dbraw/zinc/70/75/62/982707562.db2.gz GXRKVXCZHPJLQA-FQEVSTJZSA-N 2 2 419.953 3.531 20 0 HHADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000461087454 982782312 /nfs/dbraw/zinc/78/23/12/982782312.db2.gz IRYCZYASEAQKSM-SFHVURJKSA-N 2 2 404.917 3.654 20 0 HHADLP CN(c1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1)C1CC[NH+](C)CC1 ZINC000461408731 983075832 /nfs/dbraw/zinc/07/58/32/983075832.db2.gz UMHZTXQOERSYSH-UHFFFAOYSA-N 2 2 401.558 3.964 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439913 983104023 /nfs/dbraw/zinc/10/40/23/983104023.db2.gz VWNPBHRFSBWAGZ-RPWUZVMVSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439913 983104027 /nfs/dbraw/zinc/10/40/27/983104027.db2.gz VWNPBHRFSBWAGZ-RPWUZVMVSA-N 2 2 400.526 3.526 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439197953 983305667 /nfs/dbraw/zinc/30/56/67/983305667.db2.gz KQJPXFWWGXKPGS-JOCHJYFZSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439197953 983305673 /nfs/dbraw/zinc/30/56/73/983305673.db2.gz KQJPXFWWGXKPGS-JOCHJYFZSA-N 2 2 415.626 3.840 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574110 983456582 /nfs/dbraw/zinc/45/65/82/983456582.db2.gz QIVCPRGJUURCAS-HSALFYBXSA-N 2 2 404.562 3.991 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574110 983456585 /nfs/dbraw/zinc/45/65/85/983456585.db2.gz QIVCPRGJUURCAS-HSALFYBXSA-N 2 2 404.562 3.991 20 0 HHADLP Cc1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(OC(C)(C)C)c1 ZINC000440938998 983990072 /nfs/dbraw/zinc/99/00/72/983990072.db2.gz BBYMZLHNZBPGRI-UHFFFAOYSA-N 2 2 416.610 3.530 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)CC2)CC1 ZINC000441001818 984017843 /nfs/dbraw/zinc/01/78/43/984017843.db2.gz QEHOTOHPPADGQC-QHCPKHFHSA-N 2 2 412.622 3.948 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000441257302 984142543 /nfs/dbraw/zinc/14/25/43/984142543.db2.gz OVGYQPQZFLPACN-VCBZYWHSSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000441257302 984142546 /nfs/dbraw/zinc/14/25/46/984142546.db2.gz OVGYQPQZFLPACN-VCBZYWHSSA-N 2 2 408.949 3.540 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441385947 984223419 /nfs/dbraw/zinc/22/34/19/984223419.db2.gz OBFQLDTZCOUBMS-UGKGYDQZSA-N 2 2 406.530 3.544 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406225 984235391 /nfs/dbraw/zinc/23/53/91/984235391.db2.gz QIYSBAUNXCNBEH-CJFMBICVSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406225 984235397 /nfs/dbraw/zinc/23/53/97/984235397.db2.gz QIYSBAUNXCNBEH-CJFMBICVSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406225 984235402 /nfs/dbraw/zinc/23/54/02/984235402.db2.gz QIYSBAUNXCNBEH-CJFMBICVSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406225 984235408 /nfs/dbraw/zinc/23/54/08/984235408.db2.gz QIYSBAUNXCNBEH-CJFMBICVSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441421678 984242494 /nfs/dbraw/zinc/24/24/94/984242494.db2.gz YSTXEXBVEHKUCC-GPXOXTDOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441421678 984242496 /nfs/dbraw/zinc/24/24/96/984242496.db2.gz YSTXEXBVEHKUCC-GPXOXTDOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441421678 984242505 /nfs/dbraw/zinc/24/25/05/984242505.db2.gz YSTXEXBVEHKUCC-GPXOXTDOSA-N 2 2 403.570 3.993 20 0 HHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441421678 984242511 /nfs/dbraw/zinc/24/25/11/984242511.db2.gz YSTXEXBVEHKUCC-GPXOXTDOSA-N 2 2 403.570 3.993 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000442235819 984755933 /nfs/dbraw/zinc/75/59/33/984755933.db2.gz KKBHTAIAJDJCMF-UPVQGACJSA-N 2 2 419.573 3.713 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(C)c1 ZINC000442247432 984769221 /nfs/dbraw/zinc/76/92/21/984769221.db2.gz WJCAFDSKGBBISY-QHCPKHFHSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC000442247432 984769228 /nfs/dbraw/zinc/76/92/28/984769228.db2.gz WJCAFDSKGBBISY-QHCPKHFHSA-N 2 2 409.578 3.901 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792473 985217286 /nfs/dbraw/zinc/21/72/86/985217286.db2.gz MKVKHLXNKPFLGI-SXLOBPIMSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792473 985217294 /nfs/dbraw/zinc/21/72/94/985217294.db2.gz MKVKHLXNKPFLGI-SXLOBPIMSA-N 2 2 411.512 3.874 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255932 985241461 /nfs/dbraw/zinc/24/14/61/985241461.db2.gz RXJWQRYXJHRFEW-JXALWOEJSA-N 2 2 422.573 3.722 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000462259291 985245925 /nfs/dbraw/zinc/24/59/25/985245925.db2.gz RLYHNPYBASBERF-KRWDZBQOSA-N 2 2 402.564 3.599 20 0 HHADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000462303796 985290045 /nfs/dbraw/zinc/29/00/45/985290045.db2.gz BHJPJCKWSCOHHX-IAGOWNOFSA-N 2 2 418.632 3.645 20 0 HHADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000462303796 985290056 /nfs/dbraw/zinc/29/00/56/985290056.db2.gz BHJPJCKWSCOHHX-IAGOWNOFSA-N 2 2 418.632 3.645 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462610581 985554075 /nfs/dbraw/zinc/55/40/75/985554075.db2.gz CPRRPQFRXHFGHC-RTWAWAEBSA-N 2 2 422.013 3.687 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462610581 985554084 /nfs/dbraw/zinc/55/40/84/985554084.db2.gz CPRRPQFRXHFGHC-RTWAWAEBSA-N 2 2 422.013 3.687 20 0 HHADLP Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OCC[NH+](C)C)c1 ZINC000462671320 985609777 /nfs/dbraw/zinc/60/97/77/985609777.db2.gz BSHGLYNOKMQDDQ-SFHVURJKSA-N 2 2 416.591 3.908 20 0 HHADLP C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000468022313 985676870 /nfs/dbraw/zinc/67/68/70/985676870.db2.gz YZDRJWMCWRLTPN-QGZVFWFLSA-N 2 2 420.548 3.544 20 0 HHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000468036410 985692399 /nfs/dbraw/zinc/69/23/99/985692399.db2.gz DVAFDGLVACEUJI-UHFFFAOYSA-N 2 2 411.590 3.513 20 0 HHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000462812272 985741746 /nfs/dbraw/zinc/74/17/46/985741746.db2.gz GZZSYLPTTJKHGH-UMQXSMKFSA-N 2 2 410.606 3.897 20 0 HHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000462812272 985741751 /nfs/dbraw/zinc/74/17/51/985741751.db2.gz GZZSYLPTTJKHGH-UMQXSMKFSA-N 2 2 410.606 3.897 20 0 HHADLP C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000443570264 985745468 /nfs/dbraw/zinc/74/54/68/985745468.db2.gz ZWVJXMSXHITJNE-MSOLQXFVSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000443570264 985745475 /nfs/dbraw/zinc/74/54/75/985745475.db2.gz ZWVJXMSXHITJNE-MSOLQXFVSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000443570264 985745482 /nfs/dbraw/zinc/74/54/82/985745482.db2.gz ZWVJXMSXHITJNE-MSOLQXFVSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000443570264 985745488 /nfs/dbraw/zinc/74/54/88/985745488.db2.gz ZWVJXMSXHITJNE-MSOLQXFVSA-N 2 2 419.013 3.650 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4c3cccc4-c3ccccc3)CC2)CC1 ZINC000468089594 985747805 /nfs/dbraw/zinc/74/78/05/985747805.db2.gz QPYKYPOHEQYJCJ-UHFFFAOYSA-N 2 2 418.585 3.984 20 0 HHADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000463073744 986030363 /nfs/dbraw/zinc/03/03/63/986030363.db2.gz XAKBIGFIOIURFV-XMMPIXPASA-N 2 2 423.601 3.901 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080857 986039165 /nfs/dbraw/zinc/03/91/65/986039165.db2.gz GZDCDLQHKMQZFD-JOCHJYFZSA-N 3 2 407.602 3.704 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080857 986039181 /nfs/dbraw/zinc/03/91/81/986039181.db2.gz GZDCDLQHKMQZFD-JOCHJYFZSA-N 3 2 407.602 3.704 20 0 HHADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000463140405 986109322 /nfs/dbraw/zinc/10/93/22/986109322.db2.gz HARURVMOSOTPLY-UHFFFAOYSA-N 2 2 402.510 3.648 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000468477691 986172529 /nfs/dbraw/zinc/17/25/29/986172529.db2.gz DLZCXJBNRLPIRP-OAQYLSRUSA-N 2 2 416.525 3.899 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)CC1 ZINC000444041917 986239301 /nfs/dbraw/zinc/23/93/01/986239301.db2.gz GQCXWNZDWIGXSZ-JOCHJYFZSA-N 2 2 409.578 3.741 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444050839 986249720 /nfs/dbraw/zinc/24/97/20/986249720.db2.gz WYTRDGKLKYTANU-QFIPXVFZSA-N 2 2 409.578 3.741 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444050837 986249854 /nfs/dbraw/zinc/24/98/54/986249854.db2.gz WYTRDGKLKYTANU-JOCHJYFZSA-N 2 2 409.578 3.741 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)([NH+]2CCCCC2)CC1 ZINC000444099041 986296666 /nfs/dbraw/zinc/29/66/66/986296666.db2.gz ZRTCOAMVZXRMOY-UHFFFAOYSA-N 2 2 421.545 3.503 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191229 986369111 /nfs/dbraw/zinc/36/91/11/986369111.db2.gz OYKAKIQKBVYQCX-SIKLNZKXSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444191229 986369116 /nfs/dbraw/zinc/36/91/16/986369116.db2.gz OYKAKIQKBVYQCX-SIKLNZKXSA-N 2 2 409.578 3.741 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000468714295 986428771 /nfs/dbraw/zinc/42/87/71/986428771.db2.gz MCBKSQCPALLRAH-UHFFFAOYSA-N 2 2 400.526 3.844 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000468714295 986428773 /nfs/dbraw/zinc/42/87/73/986428773.db2.gz MCBKSQCPALLRAH-UHFFFAOYSA-N 2 2 400.526 3.844 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000469055236 986766997 /nfs/dbraw/zinc/76/69/97/986766997.db2.gz NPZRTWZXPPPCOC-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000469055236 986767013 /nfs/dbraw/zinc/76/70/13/986767013.db2.gz NPZRTWZXPPPCOC-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000444790216 986945324 /nfs/dbraw/zinc/94/53/24/986945324.db2.gz HNJXMFRFSDDYNZ-UPVQGACJSA-N 2 2 414.553 3.774 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000444790216 986945333 /nfs/dbraw/zinc/94/53/33/986945333.db2.gz HNJXMFRFSDDYNZ-UPVQGACJSA-N 2 2 414.553 3.774 20 0 HHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791448 986946313 /nfs/dbraw/zinc/94/63/13/986946313.db2.gz MXXIVMGZOZPGJN-UGKGYDQZSA-N 2 2 404.514 3.988 20 0 HHADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791448 986946323 /nfs/dbraw/zinc/94/63/23/986946323.db2.gz MXXIVMGZOZPGJN-UGKGYDQZSA-N 2 2 404.514 3.988 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444845256 987003968 /nfs/dbraw/zinc/00/39/68/987003968.db2.gz FTXYMQAELOONEM-FQEVSTJZSA-N 2 2 422.976 3.790 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000444860733 987017676 /nfs/dbraw/zinc/01/76/76/987017676.db2.gz OKQJNKJLHBRECU-UHFFFAOYSA-N 2 2 400.567 3.596 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000469381015 987076853 /nfs/dbraw/zinc/07/68/53/987076853.db2.gz JEYJUVWAUXCMIZ-QFUCXCTJSA-N 2 2 420.479 3.747 20 0 HHADLP C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000469381015 987076861 /nfs/dbraw/zinc/07/68/61/987076861.db2.gz JEYJUVWAUXCMIZ-QFUCXCTJSA-N 2 2 420.479 3.747 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000469423889 987111404 /nfs/dbraw/zinc/11/14/04/987111404.db2.gz GNNLUEIXFXIGIA-DEOSSOPVSA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000469423889 987111407 /nfs/dbraw/zinc/11/14/07/987111407.db2.gz GNNLUEIXFXIGIA-DEOSSOPVSA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000469430451 987117151 /nfs/dbraw/zinc/11/71/51/987117151.db2.gz RCWRALTXRRPFRW-URXFXBBRSA-N 2 2 423.605 3.626 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000469430451 987117158 /nfs/dbraw/zinc/11/71/58/987117158.db2.gz RCWRALTXRRPFRW-URXFXBBRSA-N 2 2 423.605 3.626 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000469430450 987117400 /nfs/dbraw/zinc/11/74/00/987117400.db2.gz RCWRALTXRRPFRW-QPPBQGQZSA-N 2 2 423.605 3.626 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000469430450 987117402 /nfs/dbraw/zinc/11/74/02/987117402.db2.gz RCWRALTXRRPFRW-QPPBQGQZSA-N 2 2 423.605 3.626 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000445214007 987281494 /nfs/dbraw/zinc/28/14/94/987281494.db2.gz AMTALFLGGZLAGT-BAGYTPMASA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000445214007 987281499 /nfs/dbraw/zinc/28/14/99/987281499.db2.gz AMTALFLGGZLAGT-BAGYTPMASA-N 2 2 409.578 3.610 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000469768318 987420615 /nfs/dbraw/zinc/42/06/15/987420615.db2.gz IVBAFTISFIKORU-FCEWJHQRSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000469768318 987420618 /nfs/dbraw/zinc/42/06/18/987420618.db2.gz IVBAFTISFIKORU-FCEWJHQRSA-N 2 2 415.500 3.759 20 0 HHADLP C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469787148 987432158 /nfs/dbraw/zinc/43/21/58/987432158.db2.gz RWBKRZCCNGTVDN-KXBFYZLASA-N 2 2 405.420 3.982 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866097 987503166 /nfs/dbraw/zinc/50/31/66/987503166.db2.gz OTDCBNHABKLFFE-QTEQDKRBSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866097 987503172 /nfs/dbraw/zinc/50/31/72/987503172.db2.gz OTDCBNHABKLFFE-QTEQDKRBSA-N 2 2 409.578 3.908 20 0 HHADLP Ic1cccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000469899325 987534621 /nfs/dbraw/zinc/53/46/21/987534621.db2.gz RNQIHZVGTHLKPY-CQSZACIVSA-N 2 2 411.287 3.663 20 0 HHADLP Ic1cccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000469899325 987534622 /nfs/dbraw/zinc/53/46/22/987534622.db2.gz RNQIHZVGTHLKPY-CQSZACIVSA-N 2 2 411.287 3.663 20 0 HHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000469973315 987590888 /nfs/dbraw/zinc/59/08/88/987590888.db2.gz MFIVIXMLQRXSHZ-ZWNOBZJWSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000469973315 987590896 /nfs/dbraw/zinc/59/08/96/987590896.db2.gz MFIVIXMLQRXSHZ-ZWNOBZJWSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973315 987590906 /nfs/dbraw/zinc/59/09/06/987590906.db2.gz MFIVIXMLQRXSHZ-ZWNOBZJWSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973315 987590913 /nfs/dbraw/zinc/59/09/13/987590913.db2.gz MFIVIXMLQRXSHZ-ZWNOBZJWSA-N 2 2 405.178 3.708 20 0 HHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)c2C1 ZINC000463998515 988109644 /nfs/dbraw/zinc/10/96/44/988109644.db2.gz OVHNGJWUMNGUOT-UHFFFAOYSA-N 2 2 417.513 3.792 20 0 HHADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)c2C1 ZINC000463998515 988109647 /nfs/dbraw/zinc/10/96/47/988109647.db2.gz OVHNGJWUMNGUOT-UHFFFAOYSA-N 2 2 417.513 3.792 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000470282855 988238501 /nfs/dbraw/zinc/23/85/01/988238501.db2.gz LMSFYMSUAUYBQW-ATZDWAIDSA-N 2 2 423.483 3.797 20 0 HHADLP CCCOc1cc(F)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000470403957 988364801 /nfs/dbraw/zinc/36/48/01/988364801.db2.gz JRMZNIHBWUYYKT-UHFFFAOYSA-N 2 2 406.546 3.686 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438725 988410124 /nfs/dbraw/zinc/41/01/24/988410124.db2.gz QDUNKIFWJZALSO-KURKYZTESA-N 2 2 406.537 3.552 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438725 988410126 /nfs/dbraw/zinc/41/01/26/988410126.db2.gz QDUNKIFWJZALSO-KURKYZTESA-N 2 2 406.537 3.552 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438723 988410329 /nfs/dbraw/zinc/41/03/29/988410329.db2.gz QDUNKIFWJZALSO-BZSNNMDCSA-N 2 2 406.537 3.552 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438723 988410337 /nfs/dbraw/zinc/41/03/37/988410337.db2.gz QDUNKIFWJZALSO-BZSNNMDCSA-N 2 2 406.537 3.552 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000470541344 988548280 /nfs/dbraw/zinc/54/82/80/988548280.db2.gz HEDACYANHCBKJV-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000470541344 988548285 /nfs/dbraw/zinc/54/82/85/988548285.db2.gz HEDACYANHCBKJV-FQEVSTJZSA-N 2 2 419.495 3.974 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000470598260 988614148 /nfs/dbraw/zinc/61/41/48/988614148.db2.gz JMJVZPDCUIGXKR-FQEVSTJZSA-N 2 2 416.447 3.983 20 0 HHADLP CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000470721999 988747905 /nfs/dbraw/zinc/74/79/05/988747905.db2.gz FBBGGWJIURTQAL-YKSBVNFPSA-N 2 2 412.622 3.770 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470735300 988769826 /nfs/dbraw/zinc/76/98/26/988769826.db2.gz BFGPIEXMDVRRTE-XLIONFOSSA-N 2 2 422.976 3.743 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000464676477 988875613 /nfs/dbraw/zinc/87/56/13/988875613.db2.gz GYEVSAYNYYAANN-HDICACEKSA-N 2 2 400.592 3.916 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000464676477 988875630 /nfs/dbraw/zinc/87/56/30/988875630.db2.gz GYEVSAYNYYAANN-HDICACEKSA-N 2 2 400.592 3.916 20 0 HHADLP CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464688764 988895364 /nfs/dbraw/zinc/89/53/64/988895364.db2.gz IHZWEZWMJYUBJA-UHFFFAOYSA-N 2 2 415.603 3.792 20 0 HHADLP CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464688764 988895380 /nfs/dbraw/zinc/89/53/80/988895380.db2.gz IHZWEZWMJYUBJA-UHFFFAOYSA-N 2 2 415.603 3.792 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813251 989048155 /nfs/dbraw/zinc/04/81/55/989048155.db2.gz XNHUEHCDIUVPEU-UHFFFAOYSA-N 2 2 416.953 3.921 20 0 HHADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464813251 989048166 /nfs/dbraw/zinc/04/81/66/989048166.db2.gz XNHUEHCDIUVPEU-UHFFFAOYSA-N 2 2 416.953 3.921 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837932 989082001 /nfs/dbraw/zinc/08/20/01/989082001.db2.gz ZAJSAWLKXMEAKS-GOSISDBHSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837932 989082011 /nfs/dbraw/zinc/08/20/11/989082011.db2.gz ZAJSAWLKXMEAKS-GOSISDBHSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837932 989082022 /nfs/dbraw/zinc/08/20/22/989082022.db2.gz ZAJSAWLKXMEAKS-GOSISDBHSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837932 989082039 /nfs/dbraw/zinc/08/20/39/989082039.db2.gz ZAJSAWLKXMEAKS-GOSISDBHSA-N 2 2 405.995 3.814 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845683 989096088 /nfs/dbraw/zinc/09/60/88/989096088.db2.gz OOKNLQSVQPHJQT-ICSRJNTNSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845683 989096102 /nfs/dbraw/zinc/09/61/02/989096102.db2.gz OOKNLQSVQPHJQT-ICSRJNTNSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845683 989096117 /nfs/dbraw/zinc/09/61/17/989096117.db2.gz OOKNLQSVQPHJQT-ICSRJNTNSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845683 989096127 /nfs/dbraw/zinc/09/61/27/989096127.db2.gz OOKNLQSVQPHJQT-ICSRJNTNSA-N 2 2 415.528 3.938 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098197 989194351 /nfs/dbraw/zinc/19/43/51/989194351.db2.gz BTGQXNLOLNZKOQ-PKTZIBPZSA-N 2 2 415.626 3.798 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098197 989194355 /nfs/dbraw/zinc/19/43/55/989194355.db2.gz BTGQXNLOLNZKOQ-PKTZIBPZSA-N 2 2 415.626 3.798 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151449 989266364 /nfs/dbraw/zinc/26/63/64/989266364.db2.gz MZABKZQFLULROY-IFMALSPDSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151449 989266375 /nfs/dbraw/zinc/26/63/75/989266375.db2.gz MZABKZQFLULROY-IFMALSPDSA-N 2 2 422.573 3.518 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccco1 ZINC000465407940 989755233 /nfs/dbraw/zinc/75/52/33/989755233.db2.gz VQCMLDYZAAOLMO-NRFANRHFSA-N 2 2 410.518 3.607 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccco1 ZINC000465407940 989755238 /nfs/dbraw/zinc/75/52/38/989755238.db2.gz VQCMLDYZAAOLMO-NRFANRHFSA-N 2 2 410.518 3.607 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@@H+]1C ZINC000465537797 989900676 /nfs/dbraw/zinc/90/06/76/989900676.db2.gz CUYCPJLBAOXYLQ-GJYPPUQNSA-N 2 2 410.965 3.740 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000465537797 989900681 /nfs/dbraw/zinc/90/06/81/989900681.db2.gz CUYCPJLBAOXYLQ-GJYPPUQNSA-N 2 2 410.965 3.740 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465552363 989914905 /nfs/dbraw/zinc/91/49/05/989914905.db2.gz VJTAHILWCLCODD-NHCUHLMSSA-N 2 2 415.626 3.698 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465552365 989915344 /nfs/dbraw/zinc/91/53/44/989915344.db2.gz VJTAHILWCLCODD-SFTDATJTSA-N 2 2 415.626 3.698 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000465620261 990005576 /nfs/dbraw/zinc/00/55/76/990005576.db2.gz BSSPZOSMRMMQHF-RBBKRZOGSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccs1 ZINC000465620261 990005581 /nfs/dbraw/zinc/00/55/81/990005581.db2.gz BSSPZOSMRMMQHF-RBBKRZOGSA-N 2 2 423.586 3.875 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000465707292 990093217 /nfs/dbraw/zinc/09/32/17/990093217.db2.gz HIBMIIWHAAPLSF-YKSBVNFPSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465747896 990133462 /nfs/dbraw/zinc/13/34/62/990133462.db2.gz LNTMBYDYPXVRBL-NJDAHSKKSA-N 2 2 415.626 3.696 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472002463 990171257 /nfs/dbraw/zinc/17/12/57/990171257.db2.gz MKMBTILWIYLCHJ-GOTSBHOMSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472002463 990171262 /nfs/dbraw/zinc/17/12/62/990171262.db2.gz MKMBTILWIYLCHJ-GOTSBHOMSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002839 990172456 /nfs/dbraw/zinc/17/24/56/990172456.db2.gz OMFISOAAYUENST-VJBWXMMDSA-N 2 2 413.606 3.575 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002839 990172460 /nfs/dbraw/zinc/17/24/60/990172460.db2.gz OMFISOAAYUENST-VJBWXMMDSA-N 2 2 413.606 3.575 20 0 HHADLP CSc1ccccc1CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000472008637 990176544 /nfs/dbraw/zinc/17/65/44/990176544.db2.gz PQAFNVQHHRWPIP-UHFFFAOYSA-N 2 2 404.624 3.500 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472048981 990216105 /nfs/dbraw/zinc/21/61/05/990216105.db2.gz OIGLFJAMLRYIND-PMACEKPBSA-N 2 2 410.965 3.742 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472048981 990216109 /nfs/dbraw/zinc/21/61/09/990216109.db2.gz OIGLFJAMLRYIND-PMACEKPBSA-N 2 2 410.965 3.742 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000465903381 991031556 /nfs/dbraw/zinc/03/15/56/991031556.db2.gz PQIOIVVCBOCNGK-QHCPKHFHSA-N 2 2 417.557 3.882 20 0 HHADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000465903381 991031560 /nfs/dbraw/zinc/03/15/60/991031560.db2.gz PQIOIVVCBOCNGK-QHCPKHFHSA-N 2 2 417.557 3.882 20 0 HHADLP Cc1ccccc1CC(C)(C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465938638 991075623 /nfs/dbraw/zinc/07/56/23/991075623.db2.gz IAJVGSXVPPWCKF-UHFFFAOYSA-N 2 2 400.611 3.566 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000465951364 991091751 /nfs/dbraw/zinc/09/17/51/991091751.db2.gz QVKSOWPPOHHZME-UHFFFAOYSA-N 2 2 415.626 3.986 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466100030 991279371 /nfs/dbraw/zinc/27/93/71/991279371.db2.gz KVWZZONIJLPRHL-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466100030 991279379 /nfs/dbraw/zinc/27/93/79/991279379.db2.gz KVWZZONIJLPRHL-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466135367 991315540 /nfs/dbraw/zinc/31/55/40/991315540.db2.gz BLUSZYAPYRCHSH-UHFFFAOYSA-N 2 2 413.031 3.883 20 0 HHADLP CC(C)COc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466140487 991322919 /nfs/dbraw/zinc/32/29/19/991322919.db2.gz MEZDDMDWOQOFMA-UHFFFAOYSA-N 2 2 402.583 3.793 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(OC(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000466144752 991327144 /nfs/dbraw/zinc/32/71/44/991327144.db2.gz KWYTVPXJVGVAAG-UHFFFAOYSA-N 2 2 414.472 3.657 20 0 HHADLP Cc1ccc(C)c([C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466146634 991328965 /nfs/dbraw/zinc/32/89/65/991328965.db2.gz PFJCWULRVQJEAJ-NRFANRHFSA-N 2 2 400.611 3.956 20 0 HHADLP CCCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466147210 991330902 /nfs/dbraw/zinc/33/09/02/991330902.db2.gz YHKAGENIAQKNDP-UHFFFAOYSA-N 2 2 404.574 3.698 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466149492 991333118 /nfs/dbraw/zinc/33/31/18/991333118.db2.gz WJJPIUJARNQCDJ-IBGZPJMESA-N 2 2 421.029 3.863 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2OC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000466150239 991334249 /nfs/dbraw/zinc/33/42/49/991334249.db2.gz WLUHIEZRRDRBBG-UHFFFAOYSA-N 2 2 414.472 3.657 20 0 HHADLP Cc1ccc(CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(C)C)s1 ZINC000466150716 991335502 /nfs/dbraw/zinc/33/55/02/991335502.db2.gz XBEATOCSKUVGFN-UHFFFAOYSA-N 2 2 406.640 3.927 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccco2)Cc2ccco2)([NH+]2CCCCC2)CC1 ZINC000466155967 991342788 /nfs/dbraw/zinc/34/27/88/991342788.db2.gz ZNCRQBWTPKUGAU-UHFFFAOYSA-N 2 2 414.550 3.535 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156915 991344452 /nfs/dbraw/zinc/34/44/52/991344452.db2.gz HYXIAIIBHXQNTC-QGZVFWFLSA-N 2 2 408.537 3.618 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156992 991344576 /nfs/dbraw/zinc/34/45/76/991344576.db2.gz ITBHYDHPZLCFGZ-UHFFFAOYSA-N 2 2 410.965 3.571 20 0 HHADLP COc1cc(Cl)c(C)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466157596 991345479 /nfs/dbraw/zinc/34/54/79/991345479.db2.gz NKPLMMQBFFPHOK-UHFFFAOYSA-N 2 2 408.974 3.729 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000466159506 991347700 /nfs/dbraw/zinc/34/77/00/991347700.db2.gz UQKZWRKEDZLQCB-QHCPKHFHSA-N 2 2 412.622 3.916 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301014 991552544 /nfs/dbraw/zinc/55/25/44/991552544.db2.gz XSWNUDKMJWSMSM-JQVVWYNYSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301014 991552557 /nfs/dbraw/zinc/55/25/57/991552557.db2.gz XSWNUDKMJWSMSM-JQVVWYNYSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301014 991552571 /nfs/dbraw/zinc/55/25/71/991552571.db2.gz XSWNUDKMJWSMSM-JQVVWYNYSA-N 2 2 414.594 3.682 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000466301014 991552590 /nfs/dbraw/zinc/55/25/90/991552590.db2.gz XSWNUDKMJWSMSM-JQVVWYNYSA-N 2 2 414.594 3.682 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000467127465 992444775 /nfs/dbraw/zinc/44/47/75/992444775.db2.gz HQSACPILRYSNLK-HSZRJFAPSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000467143621 992459751 /nfs/dbraw/zinc/45/97/51/992459751.db2.gz FOLDZSXBCUCRGY-UHFFFAOYSA-N 2 2 406.452 3.799 20 0 HHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cc(Br)c1N ZINC000467518085 992795176 /nfs/dbraw/zinc/79/51/76/992795176.db2.gz ZZDRDZUIWJJGDX-UHFFFAOYSA-N 2 2 405.178 3.712 20 0 HHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cc(Br)c1N ZINC000467518085 992795183 /nfs/dbraw/zinc/79/51/83/992795183.db2.gz ZZDRDZUIWJJGDX-UHFFFAOYSA-N 2 2 405.178 3.712 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000467615676 992881363 /nfs/dbraw/zinc/88/13/63/992881363.db2.gz WMPKYHWEVRTDTR-CZAYHTPWSA-N 2 2 414.594 3.775 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000467615676 992881371 /nfs/dbraw/zinc/88/13/71/992881371.db2.gz WMPKYHWEVRTDTR-CZAYHTPWSA-N 2 2 414.594 3.775 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856406 993087883 /nfs/dbraw/zinc/08/78/83/993087883.db2.gz YPPQUYKTFDASQC-MDKPJZGXSA-N 2 2 421.632 3.732 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000467856406 993087887 /nfs/dbraw/zinc/08/78/87/993087887.db2.gz YPPQUYKTFDASQC-MDKPJZGXSA-N 2 2 421.632 3.732 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267893 993291108 /nfs/dbraw/zinc/29/11/08/993291108.db2.gz KDESKEYJAQRKQN-AZUAARDMSA-N 2 2 422.639 3.630 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267893 993291112 /nfs/dbraw/zinc/29/11/12/993291112.db2.gz KDESKEYJAQRKQN-AZUAARDMSA-N 2 2 422.639 3.630 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300683 993314055 /nfs/dbraw/zinc/31/40/55/993314055.db2.gz ZCHPVQFPIYGLKR-NLMCKWEYSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300683 993314062 /nfs/dbraw/zinc/31/40/62/993314062.db2.gz ZCHPVQFPIYGLKR-NLMCKWEYSA-N 2 2 422.658 3.560 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472302332 993315350 /nfs/dbraw/zinc/31/53/50/993315350.db2.gz WRKYSVZBUYXYMD-FPOVZHCZSA-N 2 2 412.603 3.658 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472302332 993315360 /nfs/dbraw/zinc/31/53/60/993315360.db2.gz WRKYSVZBUYXYMD-FPOVZHCZSA-N 2 2 412.603 3.658 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327659 993336949 /nfs/dbraw/zinc/33/69/49/993336949.db2.gz OLXFHZOHIWAAAD-YSZBQJHXSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327659 993336956 /nfs/dbraw/zinc/33/69/56/993336956.db2.gz OLXFHZOHIWAAAD-YSZBQJHXSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744844 993611512 /nfs/dbraw/zinc/61/15/12/993611512.db2.gz MCCYJTCUCDAKEQ-QFBILLFUSA-N 2 2 407.484 3.798 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744844 993611517 /nfs/dbraw/zinc/61/15/17/993611517.db2.gz MCCYJTCUCDAKEQ-QFBILLFUSA-N 2 2 407.484 3.798 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769944 993634600 /nfs/dbraw/zinc/63/46/00/993634600.db2.gz YTODQMCRTNWKEE-QZTJIDSGSA-N 2 2 404.580 3.624 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000480883880 993746724 /nfs/dbraw/zinc/74/67/24/993746724.db2.gz LWFSQANYQNOZJO-GOSISDBHSA-N 2 2 407.514 3.944 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886973 993747886 /nfs/dbraw/zinc/74/78/86/993747886.db2.gz ZFRWVKMPBLHFHH-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886973 993747894 /nfs/dbraw/zinc/74/78/94/993747894.db2.gz ZFRWVKMPBLHFHH-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000480911295 993767145 /nfs/dbraw/zinc/76/71/45/993767145.db2.gz NOBLAXILYLURCW-SFHVURJKSA-N 2 2 424.980 3.519 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000480911295 993767156 /nfs/dbraw/zinc/76/71/56/993767156.db2.gz NOBLAXILYLURCW-SFHVURJKSA-N 2 2 424.980 3.519 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000480911617 993768119 /nfs/dbraw/zinc/76/81/19/993768119.db2.gz QHXBSXHNUJOYFY-OAHLLOKOSA-N 2 2 421.463 3.616 20 0 HHADLP C[C@H](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000472956663 993890016 /nfs/dbraw/zinc/89/00/16/993890016.db2.gz FLXNXAOWAJQBKR-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@H](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472956663 993890024 /nfs/dbraw/zinc/89/00/24/993890024.db2.gz FLXNXAOWAJQBKR-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473009638 993934207 /nfs/dbraw/zinc/93/42/07/993934207.db2.gz MOPGNNSARBGLJG-GMAHTHKFSA-N 2 2 412.622 3.599 20 0 HHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H]1c1cccc(F)c1 ZINC000473012525 993935705 /nfs/dbraw/zinc/93/57/05/993935705.db2.gz YRLRFZLHDPHVQE-KNQAVFIVSA-N 2 2 416.585 3.869 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(F)F)cc1 ZINC000481425156 994260024 /nfs/dbraw/zinc/26/00/24/994260024.db2.gz QCODPWUMCPXSHX-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000481553826 994386879 /nfs/dbraw/zinc/38/68/79/994386879.db2.gz VOQAHQIYWSGOAZ-QPPBQGQZSA-N 2 2 423.601 3.947 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000481553826 994386889 /nfs/dbraw/zinc/38/68/89/994386889.db2.gz VOQAHQIYWSGOAZ-QPPBQGQZSA-N 2 2 423.601 3.947 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](C4CCCCC4)CC3)cn2c1 ZINC000473537778 994397159 /nfs/dbraw/zinc/39/71/59/994397159.db2.gz DMJRRLJVYBUTGQ-UHFFFAOYSA-N 2 2 400.592 3.789 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(CSc4ccccc4)CC3)CC2)CC1 ZINC000473728008 994623151 /nfs/dbraw/zinc/62/31/51/994623151.db2.gz BFLJFSHDXCDEGQ-UHFFFAOYSA-N 2 2 401.620 3.624 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000473875772 994819361 /nfs/dbraw/zinc/81/93/61/994819361.db2.gz LXZVHNYFGBQSKG-PMACEKPBSA-N 2 2 421.589 3.638 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482004889 994907216 /nfs/dbraw/zinc/90/72/16/994907216.db2.gz WZSCWEVLDHUJLB-JQWIXIFHSA-N 2 2 408.711 3.526 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482004889 994907224 /nfs/dbraw/zinc/90/72/24/994907224.db2.gz WZSCWEVLDHUJLB-JQWIXIFHSA-N 2 2 408.711 3.526 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473943775 994919046 /nfs/dbraw/zinc/91/90/46/994919046.db2.gz IAFOQCQKOXTOKP-UGKGYDQZSA-N 2 2 409.578 3.629 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473943775 994919062 /nfs/dbraw/zinc/91/90/62/994919062.db2.gz IAFOQCQKOXTOKP-UGKGYDQZSA-N 2 2 409.578 3.629 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482038704 994958529 /nfs/dbraw/zinc/95/85/29/994958529.db2.gz ZKZIQKOHUHTRCJ-KXBFYZLASA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482038704 994958536 /nfs/dbraw/zinc/95/85/36/994958536.db2.gz ZKZIQKOHUHTRCJ-KXBFYZLASA-N 2 2 418.582 3.851 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000482195918 995172167 /nfs/dbraw/zinc/17/21/67/995172167.db2.gz BGIICPGCSXFAQF-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000482258181 995236683 /nfs/dbraw/zinc/23/66/83/995236683.db2.gz PTDIZQRLKYRVSE-HNNXBMFYSA-N 2 2 419.928 3.868 20 0 HHADLP CCCOc1ccc(C(C)(C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000474244644 995242581 /nfs/dbraw/zinc/24/25/81/995242581.db2.gz AKFHOFMOJUKOGD-UHFFFAOYSA-N 2 2 416.610 3.568 20 0 HHADLP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474340273 995320258 /nfs/dbraw/zinc/32/02/58/995320258.db2.gz XDMSVQPZEVLRGV-FQEVSTJZSA-N 2 2 413.591 3.867 20 0 HHADLP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474340273 995320271 /nfs/dbraw/zinc/32/02/71/995320271.db2.gz XDMSVQPZEVLRGV-FQEVSTJZSA-N 2 2 413.591 3.867 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(Br)cc1Br)CCC2 ZINC000474355896 995336129 /nfs/dbraw/zinc/33/61/29/995336129.db2.gz QWDNLUBNGLRIEH-NSHDSACASA-N 2 2 414.145 3.779 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000482366824 995349091 /nfs/dbraw/zinc/34/90/91/995349091.db2.gz CFJLYEJFLWLXNE-UHFFFAOYSA-N 2 2 412.405 3.993 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474370223 995350230 /nfs/dbraw/zinc/35/02/30/995350230.db2.gz CNGVIJZJURDWQG-UHFFFAOYSA-N 2 2 400.473 3.781 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719746 995705680 /nfs/dbraw/zinc/70/56/80/995705680.db2.gz UMEKMKFGPVQJLI-JTHBVZDNSA-N 2 2 414.638 3.695 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719746 995705689 /nfs/dbraw/zinc/70/56/89/995705689.db2.gz UMEKMKFGPVQJLI-JTHBVZDNSA-N 2 2 414.638 3.695 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000474809402 995719075 /nfs/dbraw/zinc/71/90/75/995719075.db2.gz DCXLUSIJDWKSEP-JOCHJYFZSA-N 2 2 410.537 3.669 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000474809402 995719079 /nfs/dbraw/zinc/71/90/79/995719079.db2.gz DCXLUSIJDWKSEP-JOCHJYFZSA-N 2 2 410.537 3.669 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024266 995877809 /nfs/dbraw/zinc/87/78/09/995877809.db2.gz RERHSHVHPDCRHB-VQIMIIECSA-N 2 2 414.377 3.531 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024266 995877814 /nfs/dbraw/zinc/87/78/14/995877814.db2.gz RERHSHVHPDCRHB-VQIMIIECSA-N 2 2 414.377 3.531 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000475222439 996006419 /nfs/dbraw/zinc/00/64/19/996006419.db2.gz ASQVBOJVUGDKAM-FXAWDEMLSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000475222439 996006422 /nfs/dbraw/zinc/00/64/22/996006422.db2.gz ASQVBOJVUGDKAM-FXAWDEMLSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000475222442 996006601 /nfs/dbraw/zinc/00/66/01/996006601.db2.gz ASQVBOJVUGDKAM-YLJYHZDGSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000475222442 996006606 /nfs/dbraw/zinc/00/66/06/996006606.db2.gz ASQVBOJVUGDKAM-YLJYHZDGSA-N 2 2 405.384 3.926 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483202197 996035323 /nfs/dbraw/zinc/03/53/23/996035323.db2.gz SRWRHAGGEYHEAV-IBGZPJMESA-N 2 2 420.561 3.916 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483202197 996035330 /nfs/dbraw/zinc/03/53/30/996035330.db2.gz SRWRHAGGEYHEAV-IBGZPJMESA-N 2 2 420.561 3.916 20 0 HHADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475334072 996075412 /nfs/dbraw/zinc/07/54/12/996075412.db2.gz MGWULOWBWKYLOF-NNGSBXSVSA-N 2 2 414.468 3.522 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475383451 996103405 /nfs/dbraw/zinc/10/34/05/996103405.db2.gz ZCVZENXTGFLKCL-XMMPIXPASA-N 2 2 403.530 3.532 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475383451 996103408 /nfs/dbraw/zinc/10/34/08/996103408.db2.gz ZCVZENXTGFLKCL-XMMPIXPASA-N 2 2 403.530 3.532 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 ZINC000483438440 996178982 /nfs/dbraw/zinc/17/89/82/996178982.db2.gz NCBXTIAJJRODBK-QUCCMNQESA-N 2 2 416.591 3.594 20 0 HHADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628243 996260593 /nfs/dbraw/zinc/26/05/93/996260593.db2.gz VYKINYQBNFJDFQ-WWGRRREGSA-N 2 2 407.274 3.718 20 0 HHADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628243 996260598 /nfs/dbraw/zinc/26/05/98/996260598.db2.gz VYKINYQBNFJDFQ-WWGRRREGSA-N 2 2 407.274 3.718 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000483621193 996290896 /nfs/dbraw/zinc/29/08/96/996290896.db2.gz XXQVXNIQBQLOOP-SFHVURJKSA-N 2 2 400.567 3.608 20 0 HHADLP COc1ccc2nc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)sc2c1 ZINC000475705189 996312107 /nfs/dbraw/zinc/31/21/07/996312107.db2.gz SRYQBXAALWTMDO-UHFFFAOYSA-N 3 2 416.635 3.933 20 0 HHADLP COc1ccc2nc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)sc2c1 ZINC000475705189 996312115 /nfs/dbraw/zinc/31/21/15/996312115.db2.gz SRYQBXAALWTMDO-UHFFFAOYSA-N 3 2 416.635 3.933 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730868 996330652 /nfs/dbraw/zinc/33/06/52/996330652.db2.gz SLWNIGWPEKWAPY-GBXCKJPGSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730868 996330658 /nfs/dbraw/zinc/33/06/58/996330658.db2.gz SLWNIGWPEKWAPY-GBXCKJPGSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730868 996330662 /nfs/dbraw/zinc/33/06/62/996330662.db2.gz SLWNIGWPEKWAPY-GBXCKJPGSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730868 996330664 /nfs/dbraw/zinc/33/06/64/996330664.db2.gz SLWNIGWPEKWAPY-GBXCKJPGSA-N 2 2 411.615 3.783 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000483787954 996388172 /nfs/dbraw/zinc/38/81/72/996388172.db2.gz HOVKPMNOXARTQE-MSOLQXFVSA-N 2 2 418.548 3.605 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802369 996397608 /nfs/dbraw/zinc/39/76/08/996397608.db2.gz CSTQXVUMVPQRDE-DBVUQKKJSA-N 2 2 424.992 3.958 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802369 996397614 /nfs/dbraw/zinc/39/76/14/996397614.db2.gz CSTQXVUMVPQRDE-DBVUQKKJSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802369 996397621 /nfs/dbraw/zinc/39/76/21/996397621.db2.gz CSTQXVUMVPQRDE-DBVUQKKJSA-N 2 2 424.992 3.958 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C ZINC000483802369 996397627 /nfs/dbraw/zinc/39/76/27/996397627.db2.gz CSTQXVUMVPQRDE-DBVUQKKJSA-N 2 2 424.992 3.958 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1C ZINC000483806120 996400040 /nfs/dbraw/zinc/40/00/40/996400040.db2.gz SBLWLLNDRFPZKH-UHFFFAOYSA-N 2 2 420.623 3.600 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000476065944 996576855 /nfs/dbraw/zinc/57/68/55/996576855.db2.gz WZMWMZWRVRXPNP-OAHLLOKOSA-N 2 2 412.484 3.965 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172290 996615787 /nfs/dbraw/zinc/61/57/87/996615787.db2.gz GDGOQDBWSZQIPH-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172290 996615802 /nfs/dbraw/zinc/61/58/02/996615802.db2.gz GDGOQDBWSZQIPH-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000476410404 996871423 /nfs/dbraw/zinc/87/14/23/996871423.db2.gz NHGOCWARSYXPOR-UHFFFAOYSA-N 2 2 404.505 3.738 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489069 996971681 /nfs/dbraw/zinc/97/16/81/996971681.db2.gz KWTBDYOYQCSVGY-WOJBJXKFSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489069 996971690 /nfs/dbraw/zinc/97/16/90/996971690.db2.gz KWTBDYOYQCSVGY-WOJBJXKFSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489069 996971702 /nfs/dbraw/zinc/97/17/02/996971702.db2.gz KWTBDYOYQCSVGY-WOJBJXKFSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489069 996971711 /nfs/dbraw/zinc/97/17/11/996971711.db2.gz KWTBDYOYQCSVGY-WOJBJXKFSA-N 2 2 424.589 3.857 20 0 HHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000484818231 997177013 /nfs/dbraw/zinc/17/70/13/997177013.db2.gz IAABPBCTEHZGFA-UHFFFAOYSA-N 2 2 409.578 3.950 20 0 HHADLP c1ccc(C[NH+]2CCC(OCCCNc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000484818231 997177018 /nfs/dbraw/zinc/17/70/18/997177018.db2.gz IAABPBCTEHZGFA-UHFFFAOYSA-N 2 2 409.578 3.950 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004027 997368322 /nfs/dbraw/zinc/36/83/22/997368322.db2.gz UKPDHVJJGHUASU-JKBKZWBZSA-N 2 2 402.583 3.632 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004027 997368343 /nfs/dbraw/zinc/36/83/43/997368343.db2.gz UKPDHVJJGHUASU-JKBKZWBZSA-N 2 2 402.583 3.632 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000476813689 997368975 /nfs/dbraw/zinc/36/89/75/997368975.db2.gz BBDKRLFEKGGUPA-PMACEKPBSA-N 2 2 415.622 3.610 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000476814991 997370835 /nfs/dbraw/zinc/37/08/35/997370835.db2.gz ACMHQKUSDRGYPB-AWEZNQCLSA-N 2 2 402.366 3.799 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000476871793 997447622 /nfs/dbraw/zinc/44/76/22/997447622.db2.gz QWDXMDLKFHZKFW-HSZRJFAPSA-N 2 2 421.520 3.721 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000476871793 997447654 /nfs/dbraw/zinc/44/76/54/997447654.db2.gz QWDXMDLKFHZKFW-HSZRJFAPSA-N 2 2 421.520 3.721 20 0 HHADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050188 997689976 /nfs/dbraw/zinc/68/99/76/997689976.db2.gz QRMKUTNRLVNFIR-UNMCSNQZSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050188 997689984 /nfs/dbraw/zinc/68/99/84/997689984.db2.gz QRMKUTNRLVNFIR-UNMCSNQZSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050188 997689990 /nfs/dbraw/zinc/68/99/90/997689990.db2.gz QRMKUTNRLVNFIR-UNMCSNQZSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050188 997690025 /nfs/dbraw/zinc/69/00/25/997690025.db2.gz QRMKUTNRLVNFIR-UNMCSNQZSA-N 2 2 423.523 3.775 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccsc1 ZINC000485294455 997698567 /nfs/dbraw/zinc/69/85/67/997698567.db2.gz AGRRUDGQNAHVNZ-IEBWSBKVSA-N 2 2 403.596 3.529 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301004 997706466 /nfs/dbraw/zinc/70/64/66/997706466.db2.gz GUCBZQKIQIANRM-NZQKXSOJSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000485301004 997706481 /nfs/dbraw/zinc/70/64/81/997706481.db2.gz GUCBZQKIQIANRM-NZQKXSOJSA-N 2 2 423.605 3.959 20 0 HHADLP O=c1[nH]c(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339531 997758007 /nfs/dbraw/zinc/75/80/07/997758007.db2.gz DIINTBGZVZXWNZ-REWPJTCUSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339531 997758020 /nfs/dbraw/zinc/75/80/20/997758020.db2.gz DIINTBGZVZXWNZ-REWPJTCUSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339531 997758046 /nfs/dbraw/zinc/75/80/46/997758046.db2.gz DIINTBGZVZXWNZ-REWPJTCUSA-N 2 2 402.542 3.864 20 0 HHADLP O=c1[nH]c(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc2ccccc21 ZINC000485339531 997758059 /nfs/dbraw/zinc/75/80/59/997758059.db2.gz DIINTBGZVZXWNZ-REWPJTCUSA-N 2 2 402.542 3.864 20 0 HHADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396597 997825200 /nfs/dbraw/zinc/82/52/00/997825200.db2.gz MPTWIHFPPBQUFG-APWZRJJASA-N 2 2 410.965 3.599 20 0 HHADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396597 997825209 /nfs/dbraw/zinc/82/52/09/997825209.db2.gz MPTWIHFPPBQUFG-APWZRJJASA-N 2 2 410.965 3.599 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477511739 998232319 /nfs/dbraw/zinc/23/23/19/998232319.db2.gz WPQITDYJYYVYIH-JXFKEZNVSA-N 2 2 406.933 3.998 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477511739 998232332 /nfs/dbraw/zinc/23/23/32/998232332.db2.gz WPQITDYJYYVYIH-JXFKEZNVSA-N 2 2 406.933 3.998 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000485968933 998410554 /nfs/dbraw/zinc/41/05/54/998410554.db2.gz SVYKTJFHJFYIMY-LPHOPBHVSA-N 2 2 408.468 3.664 20 0 HHADLP Cc1ccc(N2CCC(Nc3cc[nH+]c(N[C@H]4CCCO[C@@H]4C(C)C)n3)CC2)[nH+]c1 ZINC000485976404 998417946 /nfs/dbraw/zinc/41/79/46/998417946.db2.gz QTOYYMUJNPLQGA-SIKLNZKXSA-N 2 2 410.566 3.876 20 0 HHADLP Cc1ccc(N2CCC(Nc3cc[nH+]c(N[C@@H]4CCCO[C@H]4C(C)C)n3)CC2)[nH+]c1 ZINC000485976403 998418046 /nfs/dbraw/zinc/41/80/46/998418046.db2.gz QTOYYMUJNPLQGA-KNQAVFIVSA-N 2 2 410.566 3.876 20 0 HHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486214305 998652342 /nfs/dbraw/zinc/65/23/42/998652342.db2.gz JZIFCMNABRZLKV-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486214305 998652345 /nfs/dbraw/zinc/65/23/45/998652345.db2.gz JZIFCMNABRZLKV-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000478058624 998741172 /nfs/dbraw/zinc/74/11/72/998741172.db2.gz ZVEZZTRUWSFMMD-GOSISDBHSA-N 2 2 403.615 3.633 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000478058624 998741178 /nfs/dbraw/zinc/74/11/78/998741178.db2.gz ZVEZZTRUWSFMMD-GOSISDBHSA-N 2 2 403.615 3.633 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478060881 998742608 /nfs/dbraw/zinc/74/26/08/998742608.db2.gz OQJUAUXRROAACY-NRFANRHFSA-N 2 2 413.606 3.581 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478060881 998742614 /nfs/dbraw/zinc/74/26/14/998742614.db2.gz OQJUAUXRROAACY-NRFANRHFSA-N 2 2 413.606 3.581 20 0 HHADLP C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000478189858 998813250 /nfs/dbraw/zinc/81/32/50/998813250.db2.gz ISJMVXDTUXUQMI-NRFANRHFSA-N 2 2 423.601 3.529 20 0 HHADLP C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000478189858 998813253 /nfs/dbraw/zinc/81/32/53/998813253.db2.gz ISJMVXDTUXUQMI-NRFANRHFSA-N 2 2 423.601 3.529 20 0 HHADLP C[NH+](C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(Cl)c1 ZINC000478621409 999050494 /nfs/dbraw/zinc/05/04/94/999050494.db2.gz LSNNDVYPBAUGLK-NRFANRHFSA-N 2 2 415.969 3.507 20 0 HHADLP Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487108599 999064441 /nfs/dbraw/zinc/06/44/41/999064441.db2.gz LJWIUMNKZBGMCK-MAUKXSAKSA-N 2 2 422.495 3.904 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000487282106 999123375 /nfs/dbraw/zinc/12/33/75/999123375.db2.gz OGOMKEYXRGJHGC-WOJBJXKFSA-N 2 2 423.557 3.683 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000479436521 999415831 /nfs/dbraw/zinc/41/58/31/999415831.db2.gz JQGYVUYJUTVYTN-WMZHIEFXSA-N 2 2 415.603 3.656 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000479436521 999415832 /nfs/dbraw/zinc/41/58/32/999415832.db2.gz JQGYVUYJUTVYTN-WMZHIEFXSA-N 2 2 415.603 3.656 20 0 HHADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492939 999442978 /nfs/dbraw/zinc/44/29/78/999442978.db2.gz XKWXVGGMLCEIOF-OOHWJJMZSA-N 2 2 414.468 3.694 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000488422716 999482825 /nfs/dbraw/zinc/48/28/25/999482825.db2.gz VXLXYMJEEJBBRN-UHFFFAOYSA-N 2 2 402.539 3.696 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830671 999615941 /nfs/dbraw/zinc/61/59/41/999615941.db2.gz LAMOVOSVCIRWDG-MAODMQOUSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830671 999615942 /nfs/dbraw/zinc/61/59/42/999615942.db2.gz LAMOVOSVCIRWDG-MAODMQOUSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830671 999615943 /nfs/dbraw/zinc/61/59/43/999615943.db2.gz LAMOVOSVCIRWDG-MAODMQOUSA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000479830671 999615944 /nfs/dbraw/zinc/61/59/44/999615944.db2.gz LAMOVOSVCIRWDG-MAODMQOUSA-N 2 2 408.537 3.521 20 0 HHADLP COc1ccc([C@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)[NH+]2CCOCC2)cc1 ZINC000479851733 999625074 /nfs/dbraw/zinc/62/50/74/999625074.db2.gz NHCLPCTZEKDLFO-QFIPXVFZSA-N 2 2 411.477 3.877 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000488906178 999642504 /nfs/dbraw/zinc/64/25/04/999642504.db2.gz XLPNDMNKMXXECO-DEOSSOPVSA-N 2 2 403.530 3.726 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000488906178 999642507 /nfs/dbraw/zinc/64/25/07/999642507.db2.gz XLPNDMNKMXXECO-DEOSSOPVSA-N 2 2 403.530 3.726 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000489120146 999705162 /nfs/dbraw/zinc/70/51/62/999705162.db2.gz STDDAIDAPOKTJB-MQSCRBSSSA-N 2 2 419.529 3.841 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126955 999707167 /nfs/dbraw/zinc/70/71/67/999707167.db2.gz JFAMERWVFOYBPO-RTWAWAEBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126955 999707169 /nfs/dbraw/zinc/70/71/69/999707169.db2.gz JFAMERWVFOYBPO-RTWAWAEBSA-N 2 2 407.986 3.758 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)c2ccccc21 ZINC000489274007 999734874 /nfs/dbraw/zinc/73/48/74/999734874.db2.gz BZTBWINOTDCXFY-QGZVFWFLSA-N 2 2 412.553 3.898 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000489290588 999738295 /nfs/dbraw/zinc/73/82/95/999738295.db2.gz LNVSUSPIAJHVIG-HXUWFJFHSA-N 2 2 406.574 3.593 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000489290588 999738297 /nfs/dbraw/zinc/73/82/97/999738297.db2.gz LNVSUSPIAJHVIG-HXUWFJFHSA-N 2 2 406.574 3.593 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000489335845 999748019 /nfs/dbraw/zinc/74/80/19/999748019.db2.gz ZQCCCKAXVOTMQQ-HXUWFJFHSA-N 2 2 406.574 3.988 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000489335845 999748021 /nfs/dbraw/zinc/74/80/21/999748021.db2.gz ZQCCCKAXVOTMQQ-HXUWFJFHSA-N 2 2 406.574 3.988 20 0 HHADLP c1c[nH]c(C2CC[NH+](Cc3ccccc3C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)CC2)n1 ZINC000489386006 999756246 /nfs/dbraw/zinc/75/62/46/999756246.db2.gz DYZQQUCMBAYHLB-UHFFFAOYSA-N 3 2 404.562 3.892 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000489420450 999763586 /nfs/dbraw/zinc/76/35/86/999763586.db2.gz GVTHNOZJQVIAMT-NRFANRHFSA-N 2 2 408.590 3.975 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000489420450 999763588 /nfs/dbraw/zinc/76/35/88/999763588.db2.gz GVTHNOZJQVIAMT-NRFANRHFSA-N 2 2 408.590 3.975 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000489436030 999767114 /nfs/dbraw/zinc/76/71/14/999767114.db2.gz XPCXXTTZUFQRKQ-UHFFFAOYSA-N 2 2 421.520 3.817 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c2nccn2C)cc1 ZINC000480345338 999776307 /nfs/dbraw/zinc/77/63/07/999776307.db2.gz ZEYASJMTCDMNTQ-WZONZLPQSA-N 2 2 408.546 3.809 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488613 999777009 /nfs/dbraw/zinc/77/70/09/999777009.db2.gz ATWYLBVJEFGHJK-XXBNENTESA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488613 999777011 /nfs/dbraw/zinc/77/70/11/999777011.db2.gz ATWYLBVJEFGHJK-XXBNENTESA-N 2 2 403.530 3.582 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)c1 ZINC000489728093 999826055 /nfs/dbraw/zinc/82/60/55/999826055.db2.gz JUJVUKXDHAONDG-VOFXCDAESA-N 2 2 409.578 3.613 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)c1 ZINC000489728093 999826057 /nfs/dbraw/zinc/82/60/57/999826057.db2.gz JUJVUKXDHAONDG-VOFXCDAESA-N 2 2 409.578 3.613 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000489740689 999828875 /nfs/dbraw/zinc/82/88/75/999828875.db2.gz QDFZVTFVMOFFKK-DEOSSOPVSA-N 2 2 422.617 3.680 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000489740689 999828878 /nfs/dbraw/zinc/82/88/78/999828878.db2.gz QDFZVTFVMOFFKK-DEOSSOPVSA-N 2 2 422.617 3.680 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602186 999837997 /nfs/dbraw/zinc/83/79/97/999837997.db2.gz AKPKCGNXOXNCBG-CDNPAEQRSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602186 999837998 /nfs/dbraw/zinc/83/79/98/999837998.db2.gz AKPKCGNXOXNCBG-CDNPAEQRSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000480605582 999838926 /nfs/dbraw/zinc/83/89/26/999838926.db2.gz WQGFMTBQPOMFPY-INIZCTEOSA-N 2 2 403.473 3.526 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000490076518 999889569 /nfs/dbraw/zinc/88/95/69/999889569.db2.gz OPYYCOCMKUYMSR-LJQANCHMSA-N 2 2 423.561 3.519 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000490076518 999889570 /nfs/dbraw/zinc/88/95/70/999889570.db2.gz OPYYCOCMKUYMSR-LJQANCHMSA-N 2 2 423.561 3.519 20 0 HHADLP Cc1nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676728 999992146 /nfs/dbraw/zinc/99/21/46/999992146.db2.gz XDKYUGCBGVJNHK-OXJNMPFZSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1nc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676728 999992147 /nfs/dbraw/zinc/99/21/47/999992147.db2.gz XDKYUGCBGVJNHK-OXJNMPFZSA-N 2 2 402.970 3.761 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490770263 1000003804 /nfs/dbraw/zinc/00/38/04/1000003804.db2.gz ODPIQQSFDIQZRO-ZTCOLXNVSA-N 2 2 423.626 3.803 20 0 HHADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490770263 1000003806 /nfs/dbraw/zinc/00/38/06/1000003806.db2.gz ODPIQQSFDIQZRO-ZTCOLXNVSA-N 2 2 423.626 3.803 20 0 HHADLP CCOc1ccc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491006722 1000033429 /nfs/dbraw/zinc/03/34/29/1000033429.db2.gz MXUREIKYXWYFQI-QHCPKHFHSA-N 2 2 415.965 3.582 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000491022093 1000034883 /nfs/dbraw/zinc/03/48/83/1000034883.db2.gz OXPGFGTUPVFODD-HRAATJIYSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000491032859 1000036987 /nfs/dbraw/zinc/03/69/87/1000036987.db2.gz PIJJCHRTYHOQGK-UTKZUKDTSA-N 2 2 402.380 3.764 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061701 1000041018 /nfs/dbraw/zinc/04/10/18/1000041018.db2.gz NYCHCTOUGGGYJI-RTWAWAEBSA-N 2 2 410.606 3.803 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061701 1000041025 /nfs/dbraw/zinc/04/10/25/1000041025.db2.gz NYCHCTOUGGGYJI-RTWAWAEBSA-N 2 2 410.606 3.803 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1Cl ZINC000491449847 1000075971 /nfs/dbraw/zinc/07/59/71/1000075971.db2.gz YHILHKWCACEGSW-QGZVFWFLSA-N 2 2 419.863 3.891 20 0 HHADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000491878019 1000098970 /nfs/dbraw/zinc/09/89/70/1000098970.db2.gz AEZLCSOFYAMWKC-QGZVFWFLSA-N 2 2 421.372 3.877 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000491973897 1000102669 /nfs/dbraw/zinc/10/26/69/1000102669.db2.gz ACHKPSRDOHDEKI-LJQANCHMSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000491973897 1000102670 /nfs/dbraw/zinc/10/26/70/1000102670.db2.gz ACHKPSRDOHDEKI-LJQANCHMSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492040007 1000106087 /nfs/dbraw/zinc/10/60/87/1000106087.db2.gz HYJZRAJMXQZCOQ-SFHVURJKSA-N 2 2 404.518 3.674 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Br)cs1 ZINC000493820391 1000195507 /nfs/dbraw/zinc/19/55/07/1000195507.db2.gz NZDJEUXHYMLGAH-AWEZNQCLSA-N 2 2 422.392 3.749 20 0 HHADLP Cn1ccnc1C[NH+]1CCC(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC1 ZINC000504822583 1000386070 /nfs/dbraw/zinc/38/60/70/1000386070.db2.gz VCUNEDUITYYLFW-UHFFFAOYSA-N 2 2 420.561 3.836 20 0 HHADLP CC[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)CCC(F)(F)F ZINC000494729653 1000624513 /nfs/dbraw/zinc/62/45/13/1000624513.db2.gz RHZXZUIUJXAJEG-UHFFFAOYSA-N 2 2 418.529 3.631 20 0 HHADLP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)CCC(F)(F)F ZINC000494729653 1000624519 /nfs/dbraw/zinc/62/45/19/1000624519.db2.gz RHZXZUIUJXAJEG-UHFFFAOYSA-N 2 2 418.529 3.631 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999231 1000770902 /nfs/dbraw/zinc/77/09/02/1000770902.db2.gz OBRCFTWYKJRCBF-DYESRHJHSA-N 2 2 406.530 3.798 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999231 1000770906 /nfs/dbraw/zinc/77/09/06/1000770906.db2.gz OBRCFTWYKJRCBF-DYESRHJHSA-N 2 2 406.530 3.798 20 0 HHADLP CC(=O)N1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccccc2C1 ZINC000495025092 1000785780 /nfs/dbraw/zinc/78/57/80/1000785780.db2.gz GTLTYTZHJYGGIU-QHCPKHFHSA-N 2 2 407.562 3.517 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537884 1000887097 /nfs/dbraw/zinc/88/70/97/1000887097.db2.gz HIBNLLVAACLHAB-PZJWPPBQSA-N 2 2 420.395 3.530 20 0 HHADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537884 1000887103 /nfs/dbraw/zinc/88/71/03/1000887103.db2.gz HIBNLLVAACLHAB-PZJWPPBQSA-N 2 2 420.395 3.530 20 0 HHADLP COCC[N@H+](C)CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000505570144 1000910754 /nfs/dbraw/zinc/91/07/54/1000910754.db2.gz FINZUNPBAAUKNH-QFIPXVFZSA-N 2 2 416.529 3.937 20 0 HHADLP COCC[N@@H+](C)CC[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000505570144 1000910759 /nfs/dbraw/zinc/91/07/59/1000910759.db2.gz FINZUNPBAAUKNH-QFIPXVFZSA-N 2 2 416.529 3.937 20 0 HHADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000505589731 1000923417 /nfs/dbraw/zinc/92/34/17/1000923417.db2.gz ARAWXIBCRLCQTC-QFIPXVFZSA-N 2 2 408.590 3.557 20 0 HHADLP COc1ccccc1CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000505589731 1000923424 /nfs/dbraw/zinc/92/34/24/1000923424.db2.gz ARAWXIBCRLCQTC-QFIPXVFZSA-N 2 2 408.590 3.557 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@H]21 ZINC000505624270 1000940133 /nfs/dbraw/zinc/94/01/33/1000940133.db2.gz WQFPSNGUWKXWPT-MISYRCLQSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@H]21 ZINC000505624270 1000940138 /nfs/dbraw/zinc/94/01/38/1000940138.db2.gz WQFPSNGUWKXWPT-MISYRCLQSA-N 2 2 420.395 3.529 20 0 HHADLP O=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000495420750 1001006143 /nfs/dbraw/zinc/00/61/43/1001006143.db2.gz KTPAPRCNTFBXNX-UHFFFAOYSA-N 2 2 416.363 3.684 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821460 1001233125 /nfs/dbraw/zinc/23/31/25/1001233125.db2.gz GMQSIPFWZZIAKX-ZWKOTPCHSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821460 1001233132 /nfs/dbraw/zinc/23/31/32/1001233132.db2.gz GMQSIPFWZZIAKX-ZWKOTPCHSA-N 2 2 405.612 3.604 20 0 HHADLP O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506957026 1001729143 /nfs/dbraw/zinc/72/91/43/1001729143.db2.gz ZRKZKTSAOOBTQS-UHFFFAOYSA-N 2 2 423.582 3.669 20 0 HHADLP O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506957026 1001729150 /nfs/dbraw/zinc/72/91/50/1001729150.db2.gz ZRKZKTSAOOBTQS-UHFFFAOYSA-N 2 2 423.582 3.669 20 0 HHADLP CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000498416318 1001844533 /nfs/dbraw/zinc/84/45/33/1001844533.db2.gz YVVXOYYEKJEZML-QFIPXVFZSA-N 2 2 416.610 3.738 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000498486898 1001913366 /nfs/dbraw/zinc/91/33/66/1001913366.db2.gz BODHYEOBSYNOAW-LEWJYISDSA-N 2 2 416.953 3.595 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000498486898 1001913373 /nfs/dbraw/zinc/91/33/73/1001913373.db2.gz BODHYEOBSYNOAW-LEWJYISDSA-N 2 2 416.953 3.595 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507257236 1001941931 /nfs/dbraw/zinc/94/19/31/1001941931.db2.gz XUMGJTMLVZRTKX-UNMCSNQZSA-N 2 2 409.578 3.720 20 0 HHADLP Fc1ccccc1SCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498550632 1001966786 /nfs/dbraw/zinc/96/67/86/1001966786.db2.gz XHVUZJIAFPQHOP-HXUWFJFHSA-N 2 2 414.594 3.847 20 0 HHADLP Fc1ccccc1SCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498550632 1001966788 /nfs/dbraw/zinc/96/67/88/1001966788.db2.gz XHVUZJIAFPQHOP-HXUWFJFHSA-N 2 2 414.594 3.847 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507464886 1002086304 /nfs/dbraw/zinc/08/63/04/1002086304.db2.gz CMNMACADGPTNRD-YXPKMTABSA-N 2 2 406.574 3.838 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507464886 1002086293 /nfs/dbraw/zinc/08/62/93/1002086293.db2.gz CMNMACADGPTNRD-YXPKMTABSA-N 2 2 406.574 3.838 20 0 HHADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1C(F)(F)F ZINC000507515941 1002127323 /nfs/dbraw/zinc/12/73/23/1002127323.db2.gz WHOOHILREMQWEW-CQSZACIVSA-N 2 2 412.418 3.863 20 0 HHADLP Cc1cc(NC(=O)CC[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000507928917 1002462010 /nfs/dbraw/zinc/46/20/10/1002462010.db2.gz GCYVBCXDVCKYDZ-UHFFFAOYSA-N 2 2 424.467 3.927 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000499247538 1002643273 /nfs/dbraw/zinc/64/32/73/1002643273.db2.gz FHXLSGXRLZYTTQ-LRSLUSHPSA-N 2 2 405.542 3.586 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000499247538 1002643284 /nfs/dbraw/zinc/64/32/84/1002643284.db2.gz FHXLSGXRLZYTTQ-LRSLUSHPSA-N 2 2 405.542 3.586 20 0 HHADLP CCSc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000508563721 1003032190 /nfs/dbraw/zinc/03/21/90/1003032190.db2.gz MEADOINIDMSUCX-QGZVFWFLSA-N 2 2 404.624 3.717 20 0 HHADLP Cc1nn2c(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c(C(C)C)nc2s1 ZINC000499680327 1003034748 /nfs/dbraw/zinc/03/47/48/1003034748.db2.gz FUYGPJAUUJZWMU-UHFFFAOYSA-N 2 2 413.595 3.760 20 0 HHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(Br)c1 ZINC000508620846 1003074210 /nfs/dbraw/zinc/07/42/10/1003074210.db2.gz RCNCTAOEBSEHAJ-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000499764084 1003102407 /nfs/dbraw/zinc/10/24/07/1003102407.db2.gz PTWIIUYVINGJAV-LEWJYISDSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000499764084 1003102413 /nfs/dbraw/zinc/10/24/13/1003102413.db2.gz PTWIIUYVINGJAV-LEWJYISDSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(C)c1 ZINC000500098359 1003460104 /nfs/dbraw/zinc/46/01/04/1003460104.db2.gz LQQWSWOUXNWJKU-HSZRJFAPSA-N 2 2 423.561 3.998 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c(C)c1 ZINC000500098359 1003460109 /nfs/dbraw/zinc/46/01/09/1003460109.db2.gz LQQWSWOUXNWJKU-HSZRJFAPSA-N 2 2 423.561 3.998 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000509294492 1003689491 /nfs/dbraw/zinc/68/94/91/1003689491.db2.gz OLJXFCCPCCWNJI-RTWAWAEBSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000509294492 1003689483 /nfs/dbraw/zinc/68/94/83/1003689483.db2.gz OLJXFCCPCCWNJI-RTWAWAEBSA-N 2 2 416.610 3.738 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304841 1003696032 /nfs/dbraw/zinc/69/60/32/1003696032.db2.gz SBPZWTPCGGYOSM-SFTDATJTSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304841 1003696041 /nfs/dbraw/zinc/69/60/41/1003696041.db2.gz SBPZWTPCGGYOSM-SFTDATJTSA-N 2 2 402.583 3.741 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000509312846 1003701075 /nfs/dbraw/zinc/70/10/75/1003701075.db2.gz YYMGSTXBBVUPTB-SFTDATJTSA-N 2 2 416.610 3.596 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000509312846 1003701060 /nfs/dbraw/zinc/70/10/60/1003701060.db2.gz YYMGSTXBBVUPTB-SFTDATJTSA-N 2 2 416.610 3.596 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000500475736 1003737374 /nfs/dbraw/zinc/73/73/74/1003737374.db2.gz JQAALSXUMPOHNA-UHFFFAOYSA-N 2 2 409.965 3.828 20 0 HHADLP Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000511856277 1003836612 /nfs/dbraw/zinc/83/66/12/1003836612.db2.gz WDGGCTUAHGNKAN-NRFANRHFSA-N 2 2 419.573 3.856 20 0 HHADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)CCN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000511856277 1003836621 /nfs/dbraw/zinc/83/66/21/1003836621.db2.gz WDGGCTUAHGNKAN-NRFANRHFSA-N 2 2 419.573 3.856 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)c1 ZINC000509432949 1003858614 /nfs/dbraw/zinc/85/86/14/1003858614.db2.gz SFTJSBHMVXGKKU-GBXCKJPGSA-N 2 2 424.589 3.695 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000500647661 1003860961 /nfs/dbraw/zinc/86/09/61/1003860961.db2.gz HZOAHUAGYDRICD-SFTDATJTSA-N 2 2 421.589 3.591 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000509527018 1003924418 /nfs/dbraw/zinc/92/44/18/1003924418.db2.gz MKEATENXYFMQJE-SFTDATJTSA-N 2 2 409.578 3.540 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000509527018 1003924424 /nfs/dbraw/zinc/92/44/24/1003924424.db2.gz MKEATENXYFMQJE-SFTDATJTSA-N 2 2 409.578 3.540 20 0 HHADLP COc1cccc(OC)c1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000512061111 1003991999 /nfs/dbraw/zinc/99/19/99/1003991999.db2.gz XEIRJGBJKKIKHR-UHFFFAOYSA-N 2 2 423.479 3.764 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512111020 1004030927 /nfs/dbraw/zinc/03/09/27/1004030927.db2.gz BKINFQKMZJVGPA-QFIPXVFZSA-N 2 2 421.589 3.650 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000512111020 1004030938 /nfs/dbraw/zinc/03/09/38/1004030938.db2.gz BKINFQKMZJVGPA-QFIPXVFZSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509713229 1004045399 /nfs/dbraw/zinc/04/53/99/1004045399.db2.gz NEGPMSIGALYDQD-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000509713229 1004045411 /nfs/dbraw/zinc/04/54/11/1004045411.db2.gz NEGPMSIGALYDQD-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1C ZINC000509799182 1004105405 /nfs/dbraw/zinc/10/54/05/1004105405.db2.gz PMJBWHNYPNEOLP-IBGZPJMESA-N 2 2 417.500 3.823 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1C ZINC000509799182 1004105411 /nfs/dbraw/zinc/10/54/11/1004105411.db2.gz PMJBWHNYPNEOLP-IBGZPJMESA-N 2 2 417.500 3.823 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237253 1004139403 /nfs/dbraw/zinc/13/94/03/1004139403.db2.gz OKFFCCPBMWLUBJ-NBGIEHNGSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237253 1004139408 /nfs/dbraw/zinc/13/94/08/1004139408.db2.gz OKFFCCPBMWLUBJ-NBGIEHNGSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237253 1004139412 /nfs/dbraw/zinc/13/94/12/1004139412.db2.gz OKFFCCPBMWLUBJ-NBGIEHNGSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237253 1004139416 /nfs/dbraw/zinc/13/94/16/1004139416.db2.gz OKFFCCPBMWLUBJ-NBGIEHNGSA-N 2 2 409.549 3.943 20 0 HHADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244659 1004147285 /nfs/dbraw/zinc/14/72/85/1004147285.db2.gz OSIDTIVDIRLUDE-AREMUKBSSA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244659 1004147296 /nfs/dbraw/zinc/14/72/96/1004147296.db2.gz OSIDTIVDIRLUDE-AREMUKBSSA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244659 1004147308 /nfs/dbraw/zinc/14/73/08/1004147308.db2.gz OSIDTIVDIRLUDE-AREMUKBSSA-N 2 2 403.570 3.776 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(Cc1ccccc1)C1CC1 ZINC000512244659 1004147314 /nfs/dbraw/zinc/14/73/14/1004147314.db2.gz OSIDTIVDIRLUDE-AREMUKBSSA-N 2 2 403.570 3.776 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509853473 1004150297 /nfs/dbraw/zinc/15/02/97/1004150297.db2.gz MHZMYMAUFCZFFS-ZRCGQRJVSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509853473 1004150303 /nfs/dbraw/zinc/15/03/03/1004150303.db2.gz MHZMYMAUFCZFFS-ZRCGQRJVSA-N 2 2 424.589 3.590 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104872 1004208352 /nfs/dbraw/zinc/20/83/52/1004208352.db2.gz MLXPALDEICTBRV-YNJGCUIUSA-N 2 2 420.504 3.732 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104872 1004208360 /nfs/dbraw/zinc/20/83/60/1004208360.db2.gz MLXPALDEICTBRV-YNJGCUIUSA-N 2 2 420.504 3.732 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2cccc(Br)c21 ZINC000512318905 1004214688 /nfs/dbraw/zinc/21/46/88/1004214688.db2.gz DHLNAUCIKAQLBK-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2cccc(Br)c21 ZINC000512318905 1004214700 /nfs/dbraw/zinc/21/47/00/1004214700.db2.gz DHLNAUCIKAQLBK-UHFFFAOYSA-N 2 2 418.379 3.700 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H]3c3nccn3-c3ccccc3)sc2C1 ZINC000512360357 1004246415 /nfs/dbraw/zinc/24/64/15/1004246415.db2.gz XBNDDRUSJQRTND-UGKGYDQZSA-N 2 2 423.586 3.715 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H]3c3nccn3-c3ccccc3)sc2C1 ZINC000512360357 1004246421 /nfs/dbraw/zinc/24/64/21/1004246421.db2.gz XBNDDRUSJQRTND-UGKGYDQZSA-N 2 2 423.586 3.715 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000501573962 1004528370 /nfs/dbraw/zinc/52/83/70/1004528370.db2.gz ZVNBHZHSPPVEQU-SMIHKQSGSA-N 2 2 414.553 3.538 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000501573962 1004528377 /nfs/dbraw/zinc/52/83/77/1004528377.db2.gz ZVNBHZHSPPVEQU-SMIHKQSGSA-N 2 2 414.553 3.538 20 0 HHADLP Cc1cc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000512779831 1004555519 /nfs/dbraw/zinc/55/55/19/1004555519.db2.gz UFOKNPULHYRXBD-TZIWHRDSSA-N 2 2 408.546 3.576 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512807370 1004571134 /nfs/dbraw/zinc/57/11/34/1004571134.db2.gz GMKWSAIFRKWQFZ-MOPGFXCFSA-N 2 2 411.550 3.737 20 0 HHADLP C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512807370 1004571138 /nfs/dbraw/zinc/57/11/38/1004571138.db2.gz GMKWSAIFRKWQFZ-MOPGFXCFSA-N 2 2 411.550 3.737 20 0 HHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000512904462 1004672754 /nfs/dbraw/zinc/67/27/54/1004672754.db2.gz UWVPZXMIRNBDHO-YXPVCWAXSA-N 2 2 409.496 3.782 20 0 HHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512904462 1004672757 /nfs/dbraw/zinc/67/27/57/1004672757.db2.gz UWVPZXMIRNBDHO-YXPVCWAXSA-N 2 2 409.496 3.782 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501815275 1004754325 /nfs/dbraw/zinc/75/43/25/1004754325.db2.gz RRCXSLNQSLRYTC-QHCPKHFHSA-N 2 2 403.530 3.568 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510643893 1004774469 /nfs/dbraw/zinc/77/44/69/1004774469.db2.gz HBLRRWBAPJDTID-FVFSHSICSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510643893 1004774477 /nfs/dbraw/zinc/77/44/77/1004774477.db2.gz HBLRRWBAPJDTID-FVFSHSICSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510643893 1004774484 /nfs/dbraw/zinc/77/44/84/1004774484.db2.gz HBLRRWBAPJDTID-FVFSHSICSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510643893 1004774489 /nfs/dbraw/zinc/77/44/89/1004774489.db2.gz HBLRRWBAPJDTID-FVFSHSICSA-N 2 2 420.548 3.662 20 0 HHADLP Brc1cccc(N2CC[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000513052184 1004780623 /nfs/dbraw/zinc/78/06/23/1004780623.db2.gz PMCVNODNWCCLOY-KRWDZBQOSA-N 2 2 415.379 3.929 20 0 HHADLP FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000513203850 1004859344 /nfs/dbraw/zinc/85/93/44/1004859344.db2.gz LGOONWWJZZVFAE-QGZVFWFLSA-N 2 2 406.452 3.818 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000513322127 1004911283 /nfs/dbraw/zinc/91/12/83/1004911283.db2.gz PRUVUBGQPJXCGE-NQHRYMMQSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000513322127 1004911290 /nfs/dbraw/zinc/91/12/90/1004911290.db2.gz PRUVUBGQPJXCGE-NQHRYMMQSA-N 2 2 405.586 3.863 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000510913492 1004929378 /nfs/dbraw/zinc/92/93/78/1004929378.db2.gz PIYCGULDEWOKFD-UHFFFAOYSA-N 2 2 423.483 3.564 20 0 HHADLP COc1cccc(OCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510965613 1004956808 /nfs/dbraw/zinc/95/68/08/1004956808.db2.gz GCEDXGBXCBZZSV-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP COc1cccc(OCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510965613 1004956817 /nfs/dbraw/zinc/95/68/17/1004956817.db2.gz GCEDXGBXCBZZSV-UHFFFAOYSA-N 2 2 420.307 3.828 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000513514282 1004999600 /nfs/dbraw/zinc/99/96/00/1004999600.db2.gz IUFXEEPBIQKSSW-XMMPIXPASA-N 2 2 404.558 3.722 20 0 HHADLP CCOc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1OCC(C)C ZINC000513672380 1005076939 /nfs/dbraw/zinc/07/69/39/1005076939.db2.gz KGXSZMNMCZSJDB-JOCHJYFZSA-N 2 2 403.611 3.722 20 0 HHADLP CCOc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1OCC(C)C ZINC000513672380 1005076943 /nfs/dbraw/zinc/07/69/43/1005076943.db2.gz KGXSZMNMCZSJDB-JOCHJYFZSA-N 2 2 403.611 3.722 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000513683381 1005080645 /nfs/dbraw/zinc/08/06/45/1005080645.db2.gz JVBCIQHLNFFLRR-OEMFJLHTSA-N 2 2 412.599 3.741 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000513683381 1005080649 /nfs/dbraw/zinc/08/06/49/1005080649.db2.gz JVBCIQHLNFFLRR-OEMFJLHTSA-N 2 2 412.599 3.741 20 0 HHADLP CC(C)C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000511372530 1005144753 /nfs/dbraw/zinc/14/47/53/1005144753.db2.gz IUPNXSFEWKKVNX-CEMLEFRQSA-N 2 2 409.578 3.725 20 0 HHADLP O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000513946449 1005198129 /nfs/dbraw/zinc/19/81/29/1005198129.db2.gz LGGYLWSADWUVJI-UKILVPOCSA-N 2 2 423.520 3.665 20 0 HHADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000513946449 1005198131 /nfs/dbraw/zinc/19/81/31/1005198131.db2.gz LGGYLWSADWUVJI-UKILVPOCSA-N 2 2 423.520 3.665 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000502845385 1005241774 /nfs/dbraw/zinc/24/17/74/1005241774.db2.gz QMAPWGKGMIIOSU-OAQYLSRUSA-N 2 2 416.610 3.567 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000502845385 1005241778 /nfs/dbraw/zinc/24/17/78/1005241778.db2.gz QMAPWGKGMIIOSU-OAQYLSRUSA-N 2 2 416.610 3.567 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000514111458 1005270298 /nfs/dbraw/zinc/27/02/98/1005270298.db2.gz QPFKQGXHDAHYBH-QZTJIDSGSA-N 2 2 401.530 3.569 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000511751565 1005306967 /nfs/dbraw/zinc/30/69/67/1005306967.db2.gz GVZHROJMADYZBN-HSZRJFAPSA-N 2 2 402.542 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000511751565 1005306972 /nfs/dbraw/zinc/30/69/72/1005306972.db2.gz GVZHROJMADYZBN-HSZRJFAPSA-N 2 2 402.542 3.962 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000503057397 1005330717 /nfs/dbraw/zinc/33/07/17/1005330717.db2.gz BQLIRZZRQLYJIY-OAQYLSRUSA-N 2 2 412.603 3.583 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000503057397 1005330722 /nfs/dbraw/zinc/33/07/22/1005330722.db2.gz BQLIRZZRQLYJIY-OAQYLSRUSA-N 2 2 412.603 3.583 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503073942 1005338403 /nfs/dbraw/zinc/33/84/03/1005338403.db2.gz IZIRHGNTHQIEQE-VQIMIIECSA-N 2 2 423.542 3.719 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503073942 1005338410 /nfs/dbraw/zinc/33/84/10/1005338410.db2.gz IZIRHGNTHQIEQE-VQIMIIECSA-N 2 2 423.542 3.719 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000503076665 1005340597 /nfs/dbraw/zinc/34/05/97/1005340597.db2.gz YUQGCMOUNNXFML-GOSISDBHSA-N 2 2 411.531 3.546 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000503076665 1005340601 /nfs/dbraw/zinc/34/06/01/1005340601.db2.gz YUQGCMOUNNXFML-GOSISDBHSA-N 2 2 411.531 3.546 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503079427 1005341804 /nfs/dbraw/zinc/34/18/04/1005341804.db2.gz DIYGPPMYSOEXEA-RDPSFJRHSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503079427 1005341809 /nfs/dbraw/zinc/34/18/09/1005341809.db2.gz DIYGPPMYSOEXEA-RDPSFJRHSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378999 1005402613 /nfs/dbraw/zinc/40/26/13/1005402613.db2.gz UIKSGEVQCBWGAU-AEFFLSMTSA-N 2 2 416.516 3.897 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378999 1005402615 /nfs/dbraw/zinc/40/26/15/1005402615.db2.gz UIKSGEVQCBWGAU-AEFFLSMTSA-N 2 2 416.516 3.897 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381186 1005403421 /nfs/dbraw/zinc/40/34/21/1005403421.db2.gz BYUXVMAMXRBKPG-FXAWDEMLSA-N 2 2 412.603 3.996 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381186 1005403424 /nfs/dbraw/zinc/40/34/24/1005403424.db2.gz BYUXVMAMXRBKPG-FXAWDEMLSA-N 2 2 412.603 3.996 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503390934 1005406206 /nfs/dbraw/zinc/40/62/06/1005406206.db2.gz UCUDDBHZQUMORV-HSZRJFAPSA-N 2 2 409.578 3.729 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)CC1 ZINC000503565860 1005454108 /nfs/dbraw/zinc/45/41/08/1005454108.db2.gz SYAKOHMJXCNJOW-HXUWFJFHSA-N 2 2 400.611 3.584 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)CC1 ZINC000503565860 1005454111 /nfs/dbraw/zinc/45/41/11/1005454111.db2.gz SYAKOHMJXCNJOW-HXUWFJFHSA-N 2 2 400.611 3.584 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)CC1 ZINC000503575518 1005456657 /nfs/dbraw/zinc/45/66/57/1005456657.db2.gz FXFVBYAGYMGSRJ-UHFFFAOYSA-N 2 2 405.498 3.749 20 0 HHADLP CCC(CC)(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503740883 1005488341 /nfs/dbraw/zinc/48/83/41/1005488341.db2.gz QVVDVTHMPSSZEP-HXUWFJFHSA-N 2 2 409.578 3.823 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000504295067 1005591459 /nfs/dbraw/zinc/59/14/59/1005591459.db2.gz GXEVMGXGLOOAAR-UHFFFAOYSA-N 2 2 403.530 3.564 20 0 HHADLP Cc1c2cccc(Br)c2oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000514750678 1006102724 /nfs/dbraw/zinc/10/27/24/1006102724.db2.gz FQLSKQNSLHTJOS-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1c2cccc(Br)c2oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000514750678 1006102734 /nfs/dbraw/zinc/10/27/34/1006102734.db2.gz FQLSKQNSLHTJOS-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP CCCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000531361283 1006148811 /nfs/dbraw/zinc/14/88/11/1006148811.db2.gz ICBGUSBGEQOLFW-UHFFFAOYSA-N 2 2 417.642 3.570 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000534176546 1006161747 /nfs/dbraw/zinc/16/17/47/1006161747.db2.gz FVGVNYVJYXPIBC-RXVVDRJESA-N 2 2 421.010 3.965 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193717 1006183915 /nfs/dbraw/zinc/18/39/15/1006183915.db2.gz ARNMYYYOHGGJOP-UXHICEINSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193717 1006183918 /nfs/dbraw/zinc/18/39/18/1006183918.db2.gz ARNMYYYOHGGJOP-UXHICEINSA-N 2 2 418.582 3.505 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236491 1006241023 /nfs/dbraw/zinc/24/10/23/1006241023.db2.gz RODUGMBYICMGHL-QFBILLFUSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534236491 1006241031 /nfs/dbraw/zinc/24/10/31/1006241031.db2.gz RODUGMBYICMGHL-QFBILLFUSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534254485 1006263463 /nfs/dbraw/zinc/26/34/63/1006263463.db2.gz WZPASWFJSMILCL-MDZRGWNJSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534254485 1006263474 /nfs/dbraw/zinc/26/34/74/1006263474.db2.gz WZPASWFJSMILCL-MDZRGWNJSA-N 2 2 419.932 3.784 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358250 1006319138 /nfs/dbraw/zinc/31/91/38/1006319138.db2.gz MEYBKXOQJALFHM-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358250 1006319151 /nfs/dbraw/zinc/31/91/51/1006319151.db2.gz MEYBKXOQJALFHM-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358504 1006320271 /nfs/dbraw/zinc/32/02/71/1006320271.db2.gz CTIBYEVNKREPOE-GOTSBHOMSA-N 2 2 415.622 3.984 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358504 1006320288 /nfs/dbraw/zinc/32/02/88/1006320288.db2.gz CTIBYEVNKREPOE-GOTSBHOMSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360429 1006324216 /nfs/dbraw/zinc/32/42/16/1006324216.db2.gz MQSSDRSAIXLJRR-WOJBJXKFSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360429 1006324218 /nfs/dbraw/zinc/32/42/18/1006324218.db2.gz MQSSDRSAIXLJRR-WOJBJXKFSA-N 2 2 415.607 3.547 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376295 1006343925 /nfs/dbraw/zinc/34/39/25/1006343925.db2.gz ZOUHEVNFQJNXAQ-HUVFLSCGSA-N 2 2 414.638 3.986 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376295 1006343935 /nfs/dbraw/zinc/34/39/35/1006343935.db2.gz ZOUHEVNFQJNXAQ-HUVFLSCGSA-N 2 2 414.638 3.986 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384534 1006356600 /nfs/dbraw/zinc/35/66/00/1006356600.db2.gz QGNWLKKSCNYTCM-OYDLWJJNSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384534 1006356614 /nfs/dbraw/zinc/35/66/14/1006356614.db2.gz QGNWLKKSCNYTCM-OYDLWJJNSA-N 2 2 414.638 3.905 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000534448066 1006428470 /nfs/dbraw/zinc/42/84/70/1006428470.db2.gz MPBVSNYMNOQFKQ-JOCHJYFZSA-N 2 2 417.557 3.848 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000534495927 1006493577 /nfs/dbraw/zinc/49/35/77/1006493577.db2.gz ZEHGDHJFCXPYFR-OAHLLOKOSA-N 2 2 423.424 3.894 20 0 HHADLP O=C(C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505838 1006505019 /nfs/dbraw/zinc/50/50/19/1006505019.db2.gz UHMVTYBJHAMIEF-RPWUZVMVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505838 1006505031 /nfs/dbraw/zinc/50/50/31/1006505031.db2.gz UHMVTYBJHAMIEF-RPWUZVMVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505838 1006505045 /nfs/dbraw/zinc/50/50/45/1006505045.db2.gz UHMVTYBJHAMIEF-RPWUZVMVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505838 1006505055 /nfs/dbraw/zinc/50/50/55/1006505055.db2.gz UHMVTYBJHAMIEF-RPWUZVMVSA-N 2 2 403.570 3.632 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000534537979 1006529349 /nfs/dbraw/zinc/52/93/49/1006529349.db2.gz RHSOSXYAMYTMDP-VJBWXMMDSA-N 2 2 401.514 3.598 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000534537979 1006529355 /nfs/dbraw/zinc/52/93/55/1006529355.db2.gz RHSOSXYAMYTMDP-VJBWXMMDSA-N 2 2 401.514 3.598 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000531973002 1006554285 /nfs/dbraw/zinc/55/42/85/1006554285.db2.gz CBBDVEFLBYXNMX-ZDUSSCGKSA-N 2 2 421.891 3.776 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538352078 1006619256 /nfs/dbraw/zinc/61/92/56/1006619256.db2.gz QPVDVMAZKWPHJG-YADHBBJMSA-N 2 2 420.573 3.836 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538352078 1006619262 /nfs/dbraw/zinc/61/92/62/1006619262.db2.gz QPVDVMAZKWPHJG-YADHBBJMSA-N 2 2 420.573 3.836 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000538391035 1006660718 /nfs/dbraw/zinc/66/07/18/1006660718.db2.gz XUUAGUIUSVZZBV-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000538391035 1006660721 /nfs/dbraw/zinc/66/07/21/1006660721.db2.gz XUUAGUIUSVZZBV-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394184 1006664021 /nfs/dbraw/zinc/66/40/21/1006664021.db2.gz QTJQQRBMOFAPIN-PBHICJAKSA-N 2 2 422.367 3.789 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394184 1006664026 /nfs/dbraw/zinc/66/40/26/1006664026.db2.gz QTJQQRBMOFAPIN-PBHICJAKSA-N 2 2 422.367 3.789 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534714718 1006701589 /nfs/dbraw/zinc/70/15/89/1006701589.db2.gz ODRMOXWVGXMAPJ-PKTZIBPZSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534714718 1006701598 /nfs/dbraw/zinc/70/15/98/1006701598.db2.gz ODRMOXWVGXMAPJ-PKTZIBPZSA-N 2 2 412.553 3.783 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000532222741 1006732556 /nfs/dbraw/zinc/73/25/56/1006732556.db2.gz NVUISOXBNLGGHH-AZUAARDMSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000532222741 1006732564 /nfs/dbraw/zinc/73/25/64/1006732564.db2.gz NVUISOXBNLGGHH-AZUAARDMSA-N 2 2 411.546 3.675 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479678 1006748832 /nfs/dbraw/zinc/74/88/32/1006748832.db2.gz JTDRZMSSHZEGGM-RTBURBONSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479678 1006748846 /nfs/dbraw/zinc/74/88/46/1006748846.db2.gz JTDRZMSSHZEGGM-RTBURBONSA-N 2 2 407.628 3.897 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534790665 1006792378 /nfs/dbraw/zinc/79/23/78/1006792378.db2.gz LUYKLIZDUGKMLW-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534790665 1006792391 /nfs/dbraw/zinc/79/23/91/1006792391.db2.gz LUYKLIZDUGKMLW-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP COc1cc(F)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000538590171 1006857461 /nfs/dbraw/zinc/85/74/61/1006857461.db2.gz IPBOUBWEUHCRGD-HNNXBMFYSA-N 2 2 402.514 3.941 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590759 1006858298 /nfs/dbraw/zinc/85/82/98/1006858298.db2.gz RVYHPXMLOFMHDP-RDPSFJRHSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590759 1006858312 /nfs/dbraw/zinc/85/83/12/1006858312.db2.gz RVYHPXMLOFMHDP-RDPSFJRHSA-N 3 2 407.606 3.935 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764034 1007048633 /nfs/dbraw/zinc/04/86/33/1007048633.db2.gz JMJPXHPBDIFRRO-HXUWFJFHSA-N 2 2 424.427 3.838 20 0 HHADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538764034 1007048646 /nfs/dbraw/zinc/04/86/46/1007048646.db2.gz JMJPXHPBDIFRRO-HXUWFJFHSA-N 2 2 424.427 3.838 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088341 1007101231 /nfs/dbraw/zinc/10/12/31/1007101231.db2.gz SOCZHHLMIPHDBT-FCHUYYIVSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088341 1007101240 /nfs/dbraw/zinc/10/12/40/1007101240.db2.gz SOCZHHLMIPHDBT-FCHUYYIVSA-N 2 2 400.567 3.690 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095454 1007111917 /nfs/dbraw/zinc/11/19/17/1007111917.db2.gz NISVNOCCNOUWHI-UXHICEINSA-N 2 2 406.640 3.751 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095454 1007111926 /nfs/dbraw/zinc/11/19/26/1007111926.db2.gz NISVNOCCNOUWHI-UXHICEINSA-N 2 2 406.640 3.751 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096081 1007112962 /nfs/dbraw/zinc/11/29/62/1007112962.db2.gz SDHPTCQWMZSIGX-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096081 1007112971 /nfs/dbraw/zinc/11/29/71/1007112971.db2.gz SDHPTCQWMZSIGX-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095903 1007113285 /nfs/dbraw/zinc/11/32/85/1007113285.db2.gz LKUCGVWEETXCAP-FGZHOGPDSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095903 1007113296 /nfs/dbraw/zinc/11/32/96/1007113296.db2.gz LKUCGVWEETXCAP-FGZHOGPDSA-N 2 2 400.542 3.716 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108797 1007133307 /nfs/dbraw/zinc/13/33/07/1007133307.db2.gz BLCXHCXNIHODTR-DHIUTWEWSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108797 1007133318 /nfs/dbraw/zinc/13/33/18/1007133318.db2.gz BLCXHCXNIHODTR-DHIUTWEWSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108827 1007133463 /nfs/dbraw/zinc/13/34/63/1007133463.db2.gz BLCXHCXNIHODTR-PKTZIBPZSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108827 1007133472 /nfs/dbraw/zinc/13/34/72/1007133472.db2.gz BLCXHCXNIHODTR-PKTZIBPZSA-N 2 2 412.622 3.697 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117889 1007148103 /nfs/dbraw/zinc/14/81/03/1007148103.db2.gz QPLGWYBGYDHKKX-WOJBJXKFSA-N 2 2 410.965 3.598 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117889 1007148110 /nfs/dbraw/zinc/14/81/10/1007148110.db2.gz QPLGWYBGYDHKKX-WOJBJXKFSA-N 2 2 410.965 3.598 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535120054 1007152924 /nfs/dbraw/zinc/15/29/24/1007152924.db2.gz GEYMOTMJRYMOOE-PMNYKWLYSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535120054 1007152928 /nfs/dbraw/zinc/15/29/28/1007152928.db2.gz GEYMOTMJRYMOOE-PMNYKWLYSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535121325 1007153834 /nfs/dbraw/zinc/15/38/34/1007153834.db2.gz KCPGCQYZAAYFCN-QPTUXGOLSA-N 2 2 412.622 3.523 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535121325 1007153839 /nfs/dbraw/zinc/15/38/39/1007153839.db2.gz KCPGCQYZAAYFCN-QPTUXGOLSA-N 2 2 412.622 3.523 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532793680 1007185986 /nfs/dbraw/zinc/18/59/86/1007185986.db2.gz UVBAKLLQEUNCBV-HXUWFJFHSA-N 2 2 400.485 3.797 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000532793680 1007185989 /nfs/dbraw/zinc/18/59/89/1007185989.db2.gz UVBAKLLQEUNCBV-HXUWFJFHSA-N 2 2 400.485 3.797 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848403 1007234971 /nfs/dbraw/zinc/23/49/71/1007234971.db2.gz DKLRVIJWMPYFIM-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532848403 1007234980 /nfs/dbraw/zinc/23/49/80/1007234980.db2.gz DKLRVIJWMPYFIM-PMACEKPBSA-N 2 2 410.965 3.646 20 0 HHADLP COc1ccc(-c2n[nH]cc2CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000532865909 1007254154 /nfs/dbraw/zinc/25/41/54/1007254154.db2.gz LNSNFTXQSYJNBQ-UHFFFAOYSA-N 2 2 406.534 3.623 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898282 1007337911 /nfs/dbraw/zinc/33/79/11/1007337911.db2.gz OMDURNVUBIHRAT-ZLGUVYLKSA-N 2 2 418.944 3.887 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898282 1007337923 /nfs/dbraw/zinc/33/79/23/1007337923.db2.gz OMDURNVUBIHRAT-ZLGUVYLKSA-N 2 2 418.944 3.887 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000539049046 1007345748 /nfs/dbraw/zinc/34/57/48/1007345748.db2.gz ZQYGOWXDXOFNKU-BPYKYCOYSA-N 2 2 408.590 3.659 20 0 HHADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539076259 1007368359 /nfs/dbraw/zinc/36/83/59/1007368359.db2.gz CNBWDUUACDMRRW-VXKWHMMOSA-N 2 2 409.578 3.585 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000533025996 1007386506 /nfs/dbraw/zinc/38/65/06/1007386506.db2.gz XCLMBFNASVWOPC-UHFFFAOYSA-N 2 2 409.515 3.542 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539116303 1007403446 /nfs/dbraw/zinc/40/34/46/1007403446.db2.gz VQKMMGGQUJNQJU-VQTJNVASSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539116303 1007403454 /nfs/dbraw/zinc/40/34/54/1007403454.db2.gz VQKMMGGQUJNQJU-VQTJNVASSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+](CC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073279 1007435441 /nfs/dbraw/zinc/43/54/41/1007435441.db2.gz QWYCLNLXJUGKSV-UHFFFAOYSA-N 2 2 409.578 3.862 20 0 HHADLP CC[N@@H+](CC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073279 1007435444 /nfs/dbraw/zinc/43/54/44/1007435444.db2.gz QWYCLNLXJUGKSV-UHFFFAOYSA-N 2 2 409.578 3.862 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000517128792 1007442639 /nfs/dbraw/zinc/44/26/39/1007442639.db2.gz DJJGACGMNGDCTL-HXUWFJFHSA-N 2 2 422.573 3.650 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000517128792 1007442647 /nfs/dbraw/zinc/44/26/47/1007442647.db2.gz DJJGACGMNGDCTL-HXUWFJFHSA-N 2 2 422.573 3.650 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539155557 1007453889 /nfs/dbraw/zinc/45/38/89/1007453889.db2.gz PMDZJDYBEGSSEZ-PMACEKPBSA-N 2 2 421.948 3.899 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539155557 1007453895 /nfs/dbraw/zinc/45/38/95/1007453895.db2.gz PMDZJDYBEGSSEZ-PMACEKPBSA-N 2 2 421.948 3.899 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533170021 1007509410 /nfs/dbraw/zinc/50/94/10/1007509410.db2.gz PRZBMKZTLMFJTP-RTBURBONSA-N 2 2 410.965 3.786 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533170021 1007509418 /nfs/dbraw/zinc/50/94/18/1007509418.db2.gz PRZBMKZTLMFJTP-RTBURBONSA-N 2 2 410.965 3.786 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170092 1007509909 /nfs/dbraw/zinc/50/99/09/1007509909.db2.gz RNCOTPGQZPDMIM-QRVBRYPASA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000533170092 1007509910 /nfs/dbraw/zinc/50/99/10/1007509910.db2.gz RNCOTPGQZPDMIM-QRVBRYPASA-N 2 2 424.973 3.888 20 0 HHADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000539226198 1007518706 /nfs/dbraw/zinc/51/87/06/1007518706.db2.gz LXQCELPMAPMRBQ-NRFANRHFSA-N 2 2 401.938 3.852 20 0 HHADLP COc1ccc(Br)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000533186734 1007525669 /nfs/dbraw/zinc/52/56/69/1007525669.db2.gz AWCIVZHJFDQMLA-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC(F)F ZINC000533188275 1007527061 /nfs/dbraw/zinc/52/70/61/1007527061.db2.gz GXSTYHSSUKHNQM-UHFFFAOYSA-N 2 2 406.477 3.834 20 0 HHADLP COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1 ZINC000533272245 1007585841 /nfs/dbraw/zinc/58/58/41/1007585841.db2.gz WEKAWEVWXLZDOS-UHFFFAOYSA-N 2 2 416.591 3.809 20 0 HHADLP COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)cc1 ZINC000533272245 1007585861 /nfs/dbraw/zinc/58/58/61/1007585861.db2.gz WEKAWEVWXLZDOS-UHFFFAOYSA-N 2 2 416.591 3.809 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000535559898 1007593474 /nfs/dbraw/zinc/59/34/74/1007593474.db2.gz OUHVJDWOROAKQI-XMMPIXPASA-N 2 2 412.622 3.742 20 0 HHADLP CC([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)(c1ccccc1)c1ccccc1 ZINC000539307450 1007605247 /nfs/dbraw/zinc/60/52/47/1007605247.db2.gz XJMDYVSZGLJUQR-UHFFFAOYSA-N 2 2 414.553 3.674 20 0 HHADLP O=[S@](CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000517382357 1007612334 /nfs/dbraw/zinc/61/23/34/1007612334.db2.gz ZYKBNIBOGLRUGC-AREMUKBSSA-N 2 2 419.418 3.535 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000539325269 1007623729 /nfs/dbraw/zinc/62/37/29/1007623729.db2.gz GOBNJIHOPWUGPH-OAQYLSRUSA-N 2 2 414.553 3.744 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533354020 1007661890 /nfs/dbraw/zinc/66/18/90/1007661890.db2.gz BWDJNLONGZZWPI-XMMPIXPASA-N 2 2 402.542 3.649 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000533354020 1007661896 /nfs/dbraw/zinc/66/18/96/1007661896.db2.gz BWDJNLONGZZWPI-XMMPIXPASA-N 2 2 402.542 3.649 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535660189 1007675940 /nfs/dbraw/zinc/67/59/40/1007675940.db2.gz WSVOZKAWNWNXJT-DLBZAZTESA-N 2 2 422.643 3.637 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535660189 1007675945 /nfs/dbraw/zinc/67/59/45/1007675945.db2.gz WSVOZKAWNWNXJT-DLBZAZTESA-N 2 2 422.643 3.637 20 0 HHADLP CC[N@H+](CC(=O)NCc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395119 1007706832 /nfs/dbraw/zinc/70/68/32/1007706832.db2.gz JVXZDNLCNQBRGV-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP CC[N@@H+](CC(=O)NCc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395119 1007706845 /nfs/dbraw/zinc/70/68/45/1007706845.db2.gz JVXZDNLCNQBRGV-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000539400532 1007708082 /nfs/dbraw/zinc/70/80/82/1007708082.db2.gz NGEWYNMRRSPSAL-HXUWFJFHSA-N 2 2 400.588 3.871 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443635 1007753644 /nfs/dbraw/zinc/75/36/44/1007753644.db2.gz UKIXHLGHGDOALC-ROUUACIJSA-N 2 2 422.643 3.538 20 0 HHADLP CC(C)Cc1nnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539443635 1007753653 /nfs/dbraw/zinc/75/36/53/1007753653.db2.gz UKIXHLGHGDOALC-ROUUACIJSA-N 2 2 422.643 3.538 20 0 HHADLP Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)sc1C ZINC000539451570 1007763020 /nfs/dbraw/zinc/76/30/20/1007763020.db2.gz POXOPEIGTNDBCO-UHFFFAOYSA-N 2 2 414.619 3.628 20 0 HHADLP Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)sc1C ZINC000539451570 1007763029 /nfs/dbraw/zinc/76/30/29/1007763029.db2.gz POXOPEIGTNDBCO-UHFFFAOYSA-N 2 2 414.619 3.628 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000539491506 1007802586 /nfs/dbraw/zinc/80/25/86/1007802586.db2.gz QKZDBWHJRREYBM-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000539491506 1007802595 /nfs/dbraw/zinc/80/25/95/1007802595.db2.gz QKZDBWHJRREYBM-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851524 1007865771 /nfs/dbraw/zinc/86/57/71/1007865771.db2.gz FBWWFGYLELMWCU-DLBZAZTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851524 1007865783 /nfs/dbraw/zinc/86/57/83/1007865783.db2.gz FBWWFGYLELMWCU-DLBZAZTESA-N 2 2 415.475 3.652 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855570 1007869001 /nfs/dbraw/zinc/86/90/01/1007869001.db2.gz MRNILSOXUTXNCQ-SXSPYAJSSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855570 1007869010 /nfs/dbraw/zinc/86/90/10/1007869010.db2.gz MRNILSOXUTXNCQ-SXSPYAJSSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535856471 1007871636 /nfs/dbraw/zinc/87/16/36/1007871636.db2.gz VJTPEEVFZCICHX-PMOQBDJRSA-N 2 2 407.643 3.910 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535856471 1007871647 /nfs/dbraw/zinc/87/16/47/1007871647.db2.gz VJTPEEVFZCICHX-PMOQBDJRSA-N 2 2 407.643 3.910 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856916 1007872625 /nfs/dbraw/zinc/87/26/25/1007872625.db2.gz SGIZPSLVJOIRGG-UXHICEINSA-N 2 2 423.001 3.543 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856916 1007872660 /nfs/dbraw/zinc/87/26/60/1007872660.db2.gz SGIZPSLVJOIRGG-UXHICEINSA-N 2 2 423.001 3.543 20 0 HHADLP C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517666375 1007879656 /nfs/dbraw/zinc/87/96/56/1007879656.db2.gz XGMIITZTPGJGQP-OAQYLSRUSA-N 2 2 416.569 3.891 20 0 HHADLP CN(C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874845 1007892882 /nfs/dbraw/zinc/89/28/82/1007892882.db2.gz DWSHZXCSJVOVJN-UUFXTFJOSA-N 2 2 424.633 3.551 20 0 HHADLP CN(C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874845 1007892894 /nfs/dbraw/zinc/89/28/94/1007892894.db2.gz DWSHZXCSJVOVJN-UUFXTFJOSA-N 2 2 424.633 3.551 20 0 HHADLP CN(C(=O)NC[C@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878739 1007896890 /nfs/dbraw/zinc/89/68/90/1007896890.db2.gz ZDTUEYHHNQXZOL-HUVFLSCGSA-N 2 2 412.622 3.695 20 0 HHADLP CN(C(=O)NC[C@H]1CCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878739 1007896899 /nfs/dbraw/zinc/89/68/99/1007896899.db2.gz ZDTUEYHHNQXZOL-HUVFLSCGSA-N 2 2 412.622 3.695 20 0 HHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640293 1007947304 /nfs/dbraw/zinc/94/73/04/1007947304.db2.gz SSKTYTWZYSASDQ-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539636521 1007952979 /nfs/dbraw/zinc/95/29/79/1007952979.db2.gz CANAMIJQBLCLEG-SFHVURJKSA-N 2 2 403.530 3.743 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646523 1007954690 /nfs/dbraw/zinc/95/46/90/1007954690.db2.gz BBXMPSYTLSRBAG-ZEQRLZLVSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533646523 1007954701 /nfs/dbraw/zinc/95/47/01/1007954701.db2.gz BBXMPSYTLSRBAG-ZEQRLZLVSA-N 2 2 415.622 3.812 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649938 1007961592 /nfs/dbraw/zinc/96/15/92/1007961592.db2.gz YUJDAEOOUOETHF-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnc2ccccc12 ZINC000533649938 1007961599 /nfs/dbraw/zinc/96/15/99/1007961599.db2.gz YUJDAEOOUOETHF-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650548 1007962213 /nfs/dbraw/zinc/96/22/13/1007962213.db2.gz YSPMDNYMGANDTG-FCHUYYIVSA-N 2 2 415.553 3.910 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650548 1007962224 /nfs/dbraw/zinc/96/22/24/1007962224.db2.gz YSPMDNYMGANDTG-FCHUYYIVSA-N 2 2 415.553 3.910 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650905 1007963905 /nfs/dbraw/zinc/96/39/05/1007963905.db2.gz IYVFGCLDSMFJSC-PMACEKPBSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650905 1007963911 /nfs/dbraw/zinc/96/39/11/1007963911.db2.gz IYVFGCLDSMFJSC-PMACEKPBSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665973 1007981155 /nfs/dbraw/zinc/98/11/55/1007981155.db2.gz XDDPMRYMWHRTES-FGZHOGPDSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665973 1007981164 /nfs/dbraw/zinc/98/11/64/1007981164.db2.gz XDDPMRYMWHRTES-FGZHOGPDSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673377 1007992860 /nfs/dbraw/zinc/99/28/60/1007992860.db2.gz PXMUVOPHZXHQDA-GOTSBHOMSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673377 1007992863 /nfs/dbraw/zinc/99/28/63/1007992863.db2.gz PXMUVOPHZXHQDA-GOTSBHOMSA-N 2 2 418.601 3.737 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000539690598 1008009311 /nfs/dbraw/zinc/00/93/11/1008009311.db2.gz CPEVNCARTQXMEW-GOSISDBHSA-N 2 2 407.562 3.912 20 0 HHADLP COCCc1nc(C)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000539691681 1008010293 /nfs/dbraw/zinc/01/02/93/1008010293.db2.gz QOGGGGFYMCDSNP-HNNXBMFYSA-N 2 2 403.596 3.739 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903448 1008046883 /nfs/dbraw/zinc/04/68/83/1008046883.db2.gz NFPNBFCLJNLSFO-YKSBVNFPSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903448 1008046890 /nfs/dbraw/zinc/04/68/90/1008046890.db2.gz NFPNBFCLJNLSFO-YKSBVNFPSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000533738346 1008064368 /nfs/dbraw/zinc/06/43/68/1008064368.db2.gz ITDVGLYJBDQYBV-JQVVWYNYSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000533738346 1008064388 /nfs/dbraw/zinc/06/43/88/1008064388.db2.gz ITDVGLYJBDQYBV-JQVVWYNYSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785985 1008108562 /nfs/dbraw/zinc/10/85/62/1008108562.db2.gz AWHBKTUUQKZDGJ-WBVHZDCISA-N 2 2 423.424 3.935 20 0 HHADLP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785985 1008108565 /nfs/dbraw/zinc/10/85/65/1008108565.db2.gz AWHBKTUUQKZDGJ-WBVHZDCISA-N 2 2 423.424 3.935 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000533809010 1008127189 /nfs/dbraw/zinc/12/71/89/1008127189.db2.gz VNADISJGNUKEGC-QFIPXVFZSA-N 2 2 414.619 3.528 20 0 HHADLP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1)Cc1ccccc1 ZINC000539834977 1008127699 /nfs/dbraw/zinc/12/76/99/1008127699.db2.gz FNCXCHGTYIFSPO-UHFFFAOYSA-N 2 2 419.491 3.564 20 0 HHADLP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1)Cc1ccccc1 ZINC000539834977 1008127700 /nfs/dbraw/zinc/12/77/00/1008127700.db2.gz FNCXCHGTYIFSPO-UHFFFAOYSA-N 2 2 419.491 3.564 20 0 HHADLP CCN(CC)c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000539951041 1008202285 /nfs/dbraw/zinc/20/22/85/1008202285.db2.gz QVNJGPWQBHPJFE-UHFFFAOYSA-N 2 2 401.986 3.623 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000540151893 1008313297 /nfs/dbraw/zinc/31/32/97/1008313297.db2.gz CQVZIWMZRPGCBY-GCJKJVERSA-N 2 2 412.559 3.500 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153750 1008314122 /nfs/dbraw/zinc/31/41/22/1008314122.db2.gz PFRNTFBJNJNIPY-NBGIEHNGSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153750 1008314125 /nfs/dbraw/zinc/31/41/25/1008314125.db2.gz PFRNTFBJNJNIPY-NBGIEHNGSA-N 2 2 409.574 3.777 20 0 HHADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000540176712 1008323740 /nfs/dbraw/zinc/32/37/40/1008323740.db2.gz FDCNRIDVOWWHAA-UGKGYDQZSA-N 2 2 409.578 3.756 20 0 HHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540177257 1008324177 /nfs/dbraw/zinc/32/41/77/1008324177.db2.gz AKOMDZGUTMESOW-OALUTQOASA-N 2 2 421.545 3.687 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180761 1008325341 /nfs/dbraw/zinc/32/53/41/1008325341.db2.gz CLHNFRCQAOKUMR-JXFKEZNVSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000540180761 1008325345 /nfs/dbraw/zinc/32/53/45/1008325345.db2.gz CLHNFRCQAOKUMR-JXFKEZNVSA-N 2 2 411.937 3.828 20 0 HHADLP CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000540325887 1008380865 /nfs/dbraw/zinc/38/08/65/1008380865.db2.gz IRTBKKJHPFQETJ-IBGZPJMESA-N 2 2 411.546 3.595 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405551 1008419082 /nfs/dbraw/zinc/41/90/82/1008419082.db2.gz ABDHTGFLSYICBD-QHCPKHFHSA-N 2 2 403.517 3.580 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000540409189 1008421024 /nfs/dbraw/zinc/42/10/24/1008421024.db2.gz ADGHALNNYADYEJ-YADHBBJMSA-N 2 2 415.965 3.570 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000540433622 1008431786 /nfs/dbraw/zinc/43/17/86/1008431786.db2.gz IAQJEUKESSEDQU-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000540433622 1008431789 /nfs/dbraw/zinc/43/17/89/1008431789.db2.gz IAQJEUKESSEDQU-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000540503170 1008458398 /nfs/dbraw/zinc/45/83/98/1008458398.db2.gz AJOYXLRLUZWXSG-INIZCTEOSA-N 2 2 400.792 3.703 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000540503170 1008458399 /nfs/dbraw/zinc/45/83/99/1008458399.db2.gz AJOYXLRLUZWXSG-INIZCTEOSA-N 2 2 400.792 3.703 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912929 1008470971 /nfs/dbraw/zinc/47/09/71/1008470971.db2.gz JWVCTZDIYZDJCT-VGOFRKELSA-N 2 2 414.525 3.643 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199330 1008602966 /nfs/dbraw/zinc/60/29/66/1008602966.db2.gz YAVZJJXPFYOHNJ-UXHICEINSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199330 1008602975 /nfs/dbraw/zinc/60/29/75/1008602975.db2.gz YAVZJJXPFYOHNJ-UXHICEINSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199329 1008603045 /nfs/dbraw/zinc/60/30/45/1008603045.db2.gz YAVZJJXPFYOHNJ-PMACEKPBSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199329 1008603053 /nfs/dbraw/zinc/60/30/53/1008603053.db2.gz YAVZJJXPFYOHNJ-PMACEKPBSA-N 2 2 402.583 3.713 20 0 HHADLP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(C)C)cc1 ZINC000543060823 1008638620 /nfs/dbraw/zinc/63/86/20/1008638620.db2.gz MFIUCBWSLJCXNT-DEOSSOPVSA-N 2 2 412.578 3.897 20 0 HHADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543062565 1008639563 /nfs/dbraw/zinc/63/95/63/1008639563.db2.gz FPSWAAKSNAEZOG-SFHVURJKSA-N 2 2 412.534 3.564 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106842 1008679538 /nfs/dbraw/zinc/67/95/38/1008679538.db2.gz DIVBFQHPRJVAQO-CDNPAEQRSA-N 2 2 401.595 3.594 20 0 HHADLP COc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000543106842 1008679547 /nfs/dbraw/zinc/67/95/47/1008679547.db2.gz DIVBFQHPRJVAQO-CDNPAEQRSA-N 2 2 401.595 3.594 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164007 1008735653 /nfs/dbraw/zinc/73/56/53/1008735653.db2.gz CEHJFLYZCHAWSF-QFIPXVFZSA-N 2 2 423.557 3.692 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164007 1008735665 /nfs/dbraw/zinc/73/56/65/1008735665.db2.gz CEHJFLYZCHAWSF-QFIPXVFZSA-N 2 2 423.557 3.692 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549165096 1008736589 /nfs/dbraw/zinc/73/65/89/1008736589.db2.gz JJMLGZNJTHKHOX-SFHVURJKSA-N 2 2 415.607 3.565 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549165096 1008736603 /nfs/dbraw/zinc/73/66/03/1008736603.db2.gz JJMLGZNJTHKHOX-SFHVURJKSA-N 2 2 415.607 3.565 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543164238 1008739663 /nfs/dbraw/zinc/73/96/63/1008739663.db2.gz XBQIYQPNTVGCBH-HRAATJIYSA-N 2 2 419.491 3.917 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000549251592 1008822549 /nfs/dbraw/zinc/82/25/49/1008822549.db2.gz WPQJJGBMCHPPSN-DFNIBXOVSA-N 2 2 411.546 3.798 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000549251592 1008822563 /nfs/dbraw/zinc/82/25/63/1008822563.db2.gz WPQJJGBMCHPPSN-DFNIBXOVSA-N 2 2 411.546 3.798 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000519496145 1008867427 /nfs/dbraw/zinc/86/74/27/1008867427.db2.gz LPWFDHSIWZHRGP-UHFFFAOYSA-N 2 2 418.541 3.582 20 0 HHADLP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)c2cccs2)CC1 ZINC000543407256 1009001534 /nfs/dbraw/zinc/00/15/34/1009001534.db2.gz QZZFCYULLNLLKX-GMAHTHKFSA-N 2 2 410.562 3.950 20 0 HHADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000519790270 1009008999 /nfs/dbraw/zinc/00/89/99/1009008999.db2.gz OEMFEIIBDPDKSY-GOSISDBHSA-N 2 2 420.479 3.507 20 0 HHADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC000519790270 1009009012 /nfs/dbraw/zinc/00/90/12/1009009012.db2.gz OEMFEIIBDPDKSY-GOSISDBHSA-N 2 2 420.479 3.507 20 0 HHADLP CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000543431112 1009020684 /nfs/dbraw/zinc/02/06/84/1009020684.db2.gz RDEXOIJJXXPOBP-UHFFFAOYSA-N 2 2 406.505 3.930 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545982049 1009031904 /nfs/dbraw/zinc/03/19/04/1009031904.db2.gz GTWZOCPJBNSVCK-BJESRGMDSA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545982049 1009031921 /nfs/dbraw/zinc/03/19/21/1009031921.db2.gz GTWZOCPJBNSVCK-BJESRGMDSA-N 2 2 401.570 3.725 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[N@H+](Cc3ccccc3C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000519909566 1009070412 /nfs/dbraw/zinc/07/04/12/1009070412.db2.gz FSOVDODHFVSHOD-UHFFFAOYSA-N 2 2 421.589 3.530 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[N@@H+](Cc3ccccc3C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000519909566 1009070431 /nfs/dbraw/zinc/07/04/31/1009070431.db2.gz FSOVDODHFVSHOD-UHFFFAOYSA-N 2 2 421.589 3.530 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920824 1009077681 /nfs/dbraw/zinc/07/76/81/1009077681.db2.gz YCPPDSRSOKFPTE-OIBXWCBGSA-N 2 2 409.599 3.728 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920824 1009077699 /nfs/dbraw/zinc/07/76/99/1009077699.db2.gz YCPPDSRSOKFPTE-OIBXWCBGSA-N 2 2 409.599 3.728 20 0 HHADLP Cc1csc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000543508051 1009097461 /nfs/dbraw/zinc/09/74/61/1009097461.db2.gz BQQRSPCOUKUDFN-SFHVURJKSA-N 2 2 408.571 3.600 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccco1 ZINC000543550119 1009152957 /nfs/dbraw/zinc/15/29/57/1009152957.db2.gz HKMWHYUOQRALLV-HXUWFJFHSA-N 2 2 407.518 3.803 20 0 HHADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000543601056 1009206208 /nfs/dbraw/zinc/20/62/08/1009206208.db2.gz GBOILLMKMWDFAF-NHCUHLMSSA-N 2 2 401.576 3.957 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176747 1009321851 /nfs/dbraw/zinc/32/18/51/1009321851.db2.gz GJKRIWSCTIZHIR-PKTZIBPZSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176747 1009321860 /nfs/dbraw/zinc/32/18/60/1009321860.db2.gz GJKRIWSCTIZHIR-PKTZIBPZSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543971279 1009573878 /nfs/dbraw/zinc/57/38/78/1009573878.db2.gz FEAGVVRAXOTZPY-HSZRJFAPSA-N 2 2 409.578 3.750 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543971279 1009573888 /nfs/dbraw/zinc/57/38/88/1009573888.db2.gz FEAGVVRAXOTZPY-HSZRJFAPSA-N 2 2 409.578 3.750 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033683 1009629431 /nfs/dbraw/zinc/62/94/31/1009629431.db2.gz MJFJQCCIPUKXDG-HIBPSGHXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033683 1009629455 /nfs/dbraw/zinc/62/94/55/1009629455.db2.gz MJFJQCCIPUKXDG-HIBPSGHXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033683 1009629460 /nfs/dbraw/zinc/62/94/60/1009629460.db2.gz MJFJQCCIPUKXDG-HIBPSGHXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000550033683 1009629470 /nfs/dbraw/zinc/62/94/70/1009629470.db2.gz MJFJQCCIPUKXDG-HIBPSGHXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000520601445 1009677711 /nfs/dbraw/zinc/67/77/11/1009677711.db2.gz RXQZHYAWTQMIGG-RXVVDRJESA-N 2 2 414.550 3.877 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)[NH+](C)Cc3ccccc3)c2C1 ZINC000546792842 1009759031 /nfs/dbraw/zinc/75/90/31/1009759031.db2.gz XHIYSFHIUHSUEZ-IBGZPJMESA-N 2 2 416.569 3.863 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)[NH+](C)Cc3ccccc3)c2C1 ZINC000546792842 1009759045 /nfs/dbraw/zinc/75/90/45/1009759045.db2.gz XHIYSFHIUHSUEZ-IBGZPJMESA-N 2 2 416.569 3.863 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)c2C1 ZINC000546792842 1009759059 /nfs/dbraw/zinc/75/90/59/1009759059.db2.gz XHIYSFHIUHSUEZ-IBGZPJMESA-N 2 2 416.569 3.863 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)c2C1 ZINC000546792842 1009759074 /nfs/dbraw/zinc/75/90/74/1009759074.db2.gz XHIYSFHIUHSUEZ-IBGZPJMESA-N 2 2 416.569 3.863 20 0 HHADLP CN(C(=O)[C@H]1CCC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550318613 1009858533 /nfs/dbraw/zinc/85/85/33/1009858533.db2.gz BKUDOQQORFMZDD-ZRBLBEILSA-N 2 2 411.590 3.542 20 0 HHADLP CN(C(=O)[C@H]1CCC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550318613 1009858550 /nfs/dbraw/zinc/85/85/50/1009858550.db2.gz BKUDOQQORFMZDD-ZRBLBEILSA-N 2 2 411.590 3.542 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000547006423 1009962363 /nfs/dbraw/zinc/96/23/63/1009962363.db2.gz RXYNEYPERJCOHN-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000547006423 1009962370 /nfs/dbraw/zinc/96/23/70/1009962370.db2.gz RXYNEYPERJCOHN-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351098 1009976686 /nfs/dbraw/zinc/97/66/86/1009976686.db2.gz KCPWPMAWOFALPB-KXBFYZLASA-N 2 2 403.368 3.854 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351098 1009976691 /nfs/dbraw/zinc/97/66/91/1009976691.db2.gz KCPWPMAWOFALPB-KXBFYZLASA-N 2 2 403.368 3.854 20 0 HHADLP Fc1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cnccn2)cc1 ZINC000544357770 1009983621 /nfs/dbraw/zinc/98/36/21/1009983621.db2.gz ZZXYZKMHPNSXFO-XMMPIXPASA-N 2 2 406.505 3.970 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358480 1009984612 /nfs/dbraw/zinc/98/46/12/1009984612.db2.gz ATPKPXPQRNCCAF-YKSBVNFPSA-N 2 2 420.532 3.640 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000544358480 1009984617 /nfs/dbraw/zinc/98/46/17/1009984617.db2.gz ATPKPXPQRNCCAF-YKSBVNFPSA-N 2 2 420.532 3.640 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421521 1010040190 /nfs/dbraw/zinc/04/01/90/1010040190.db2.gz KKUPZNFQYWJGNO-RTBURBONSA-N 2 2 424.589 3.527 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421521 1010040207 /nfs/dbraw/zinc/04/02/07/1010040207.db2.gz KKUPZNFQYWJGNO-RTBURBONSA-N 2 2 424.589 3.527 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000521039257 1010069102 /nfs/dbraw/zinc/06/91/02/1010069102.db2.gz ZGYLGLRWMWTWET-HSZRJFAPSA-N 2 2 408.546 3.661 20 0 HHADLP CC(C)c1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000521069027 1010087573 /nfs/dbraw/zinc/08/75/73/1010087573.db2.gz YDXIEBYILFCULC-UHFFFAOYSA-N 2 2 406.574 3.908 20 0 HHADLP CC(C)c1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000521069027 1010087584 /nfs/dbraw/zinc/08/75/84/1010087584.db2.gz YDXIEBYILFCULC-UHFFFAOYSA-N 2 2 406.574 3.908 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117404 1010138603 /nfs/dbraw/zinc/13/86/03/1010138603.db2.gz ODWBUGNQUYPFAS-ZWKOTPCHSA-N 2 2 410.389 3.772 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)c2)cc[nH+]1 ZINC000544559728 1010189070 /nfs/dbraw/zinc/18/90/70/1010189070.db2.gz DQKQRRLZIXXDGK-UHFFFAOYSA-N 2 2 419.529 3.980 20 0 HHADLP COC(=O)c1coc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000544608832 1010235746 /nfs/dbraw/zinc/23/57/46/1010235746.db2.gz DXSKVZPYKQXCGU-UHFFFAOYSA-N 2 2 419.525 3.678 20 0 HHADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000550908262 1010250703 /nfs/dbraw/zinc/25/07/03/1010250703.db2.gz KXMUCYKEHOLHAF-UHFFFAOYSA-N 2 2 405.546 3.917 20 0 HHADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000550908262 1010250718 /nfs/dbraw/zinc/25/07/18/1010250718.db2.gz KXMUCYKEHOLHAF-UHFFFAOYSA-N 2 2 405.546 3.917 20 0 HHADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544756121 1010356294 /nfs/dbraw/zinc/35/62/94/1010356294.db2.gz CVOPJEFQFGEEKA-OKILXGFUSA-N 2 2 421.529 3.561 20 0 HHADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544756121 1010356306 /nfs/dbraw/zinc/35/63/06/1010356306.db2.gz CVOPJEFQFGEEKA-OKILXGFUSA-N 2 2 421.529 3.561 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000544826243 1010417666 /nfs/dbraw/zinc/41/76/66/1010417666.db2.gz DRQMZHXTQSWWAS-IBGZPJMESA-N 2 2 424.427 3.928 20 0 HHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000551511734 1010630064 /nfs/dbraw/zinc/63/00/64/1010630064.db2.gz CPUGTUYVDQSRNK-UHFFFAOYSA-N 2 2 412.525 3.898 20 0 HHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000551511734 1010630067 /nfs/dbraw/zinc/63/00/67/1010630067.db2.gz CPUGTUYVDQSRNK-UHFFFAOYSA-N 2 2 412.525 3.898 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483055 1010641603 /nfs/dbraw/zinc/64/16/03/1010641603.db2.gz QWSHSUZUJOENSG-RBBKRZOGSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483055 1010641609 /nfs/dbraw/zinc/64/16/09/1010641609.db2.gz QWSHSUZUJOENSG-RBBKRZOGSA-N 3 2 407.606 3.935 20 0 HHADLP CN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548513229 1010653420 /nfs/dbraw/zinc/65/34/20/1010653420.db2.gz KDUZNBHHWICUFD-SQNIBIBYSA-N 2 2 420.564 3.942 20 0 HHADLP CN(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548513229 1010653423 /nfs/dbraw/zinc/65/34/23/1010653423.db2.gz KDUZNBHHWICUFD-SQNIBIBYSA-N 2 2 420.564 3.942 20 0 HHADLP CN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548513228 1010653637 /nfs/dbraw/zinc/65/36/37/1010653637.db2.gz KDUZNBHHWICUFD-KZNAEPCWSA-N 2 2 420.564 3.942 20 0 HHADLP CN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548513228 1010653645 /nfs/dbraw/zinc/65/36/45/1010653645.db2.gz KDUZNBHHWICUFD-KZNAEPCWSA-N 2 2 420.564 3.942 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521877492 1010681122 /nfs/dbraw/zinc/68/11/22/1010681122.db2.gz ZVPOICTYZYCSEI-NRFANRHFSA-N 2 2 404.514 3.813 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521877492 1010681130 /nfs/dbraw/zinc/68/11/30/1010681130.db2.gz ZVPOICTYZYCSEI-NRFANRHFSA-N 2 2 404.514 3.813 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000521896244 1010693403 /nfs/dbraw/zinc/69/34/03/1010693403.db2.gz AZDFLOXIFJGENL-IBGZPJMESA-N 2 2 400.523 3.669 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000551638891 1010714028 /nfs/dbraw/zinc/71/40/28/1010714028.db2.gz IZDPTIPMVKZYEP-CTNGQTDRSA-N 2 2 417.504 3.521 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000551638891 1010714035 /nfs/dbraw/zinc/71/40/35/1010714035.db2.gz IZDPTIPMVKZYEP-CTNGQTDRSA-N 2 2 417.504 3.521 20 0 HHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522102475 1010813378 /nfs/dbraw/zinc/81/33/78/1010813378.db2.gz JSYUNHFXFFCYCZ-KRWDZBQOSA-N 2 2 401.530 3.711 20 0 HHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000522102475 1010813385 /nfs/dbraw/zinc/81/33/85/1010813385.db2.gz JSYUNHFXFFCYCZ-KRWDZBQOSA-N 2 2 401.530 3.711 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000522607719 1011108894 /nfs/dbraw/zinc/10/88/94/1011108894.db2.gz ZSNDPQOTUZIUQN-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP COc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc(OC)c1OC ZINC000540790030 1011450800 /nfs/dbraw/zinc/45/08/00/1011450800.db2.gz BXCCWFUIAJBUJI-INIZCTEOSA-N 2 2 414.550 3.811 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523128712 1011597122 /nfs/dbraw/zinc/59/71/22/1011597122.db2.gz LERYNGUJMPAKGQ-ZCNNSNEGSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523128712 1011597131 /nfs/dbraw/zinc/59/71/31/1011597131.db2.gz LERYNGUJMPAKGQ-ZCNNSNEGSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC000523128712 1011597146 /nfs/dbraw/zinc/59/71/46/1011597146.db2.gz LERYNGUJMPAKGQ-ZCNNSNEGSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC000523128712 1011597154 /nfs/dbraw/zinc/59/71/54/1011597154.db2.gz LERYNGUJMPAKGQ-ZCNNSNEGSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ncc(Br)s1 ZINC000540988679 1011621439 /nfs/dbraw/zinc/62/14/39/1011621439.db2.gz LWAIUFWGSZLLHR-BBRMVZONSA-N 2 2 410.381 3.713 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ncc(Br)s1 ZINC000540988679 1011621447 /nfs/dbraw/zinc/62/14/47/1011621447.db2.gz LWAIUFWGSZLLHR-BBRMVZONSA-N 2 2 410.381 3.713 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(N4CCc5ccccc54)CC3)C2)cc1 ZINC000551736506 1011897290 /nfs/dbraw/zinc/89/72/90/1011897290.db2.gz HAPDYBTYCHAQNL-RUZDIDTESA-N 2 2 405.586 3.805 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(N4CCc5ccccc54)CC3)C2)cc1 ZINC000551736506 1011897312 /nfs/dbraw/zinc/89/73/12/1011897312.db2.gz HAPDYBTYCHAQNL-RUZDIDTESA-N 2 2 405.586 3.805 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816537 1011974016 /nfs/dbraw/zinc/97/40/16/1011974016.db2.gz AIHGUBAWHWXGLF-CJFMBICVSA-N 3 2 408.590 3.555 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816537 1011974024 /nfs/dbraw/zinc/97/40/24/1011974024.db2.gz AIHGUBAWHWXGLF-CJFMBICVSA-N 3 2 408.590 3.555 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541301241 1012002972 /nfs/dbraw/zinc/00/29/72/1012002972.db2.gz BCNYLUAQBKUHRT-CZAAIQMYSA-N 2 2 419.491 3.745 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541301241 1012002988 /nfs/dbraw/zinc/00/29/88/1012002988.db2.gz BCNYLUAQBKUHRT-CZAAIQMYSA-N 2 2 419.491 3.745 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541301244 1012003794 /nfs/dbraw/zinc/00/37/94/1012003794.db2.gz BCNYLUAQBKUHRT-TYCQWZJGSA-N 2 2 419.491 3.745 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541301244 1012003813 /nfs/dbraw/zinc/00/38/13/1012003813.db2.gz BCNYLUAQBKUHRT-TYCQWZJGSA-N 2 2 419.491 3.745 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066743 /nfs/dbraw/zinc/06/67/43/1012066743.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000552047564 1012066762 /nfs/dbraw/zinc/06/67/62/1012066762.db2.gz QTRMYLSACQRTPX-SDHOMARFSA-N 3 2 411.634 3.912 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000523559151 1012095614 /nfs/dbraw/zinc/09/56/14/1012095614.db2.gz HUQCIGHSDADTTJ-NRFANRHFSA-N 2 2 401.570 3.905 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000523559151 1012095630 /nfs/dbraw/zinc/09/56/30/1012095630.db2.gz HUQCIGHSDADTTJ-NRFANRHFSA-N 2 2 401.570 3.905 20 0 HHADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000536861353 1012095961 /nfs/dbraw/zinc/09/59/61/1012095961.db2.gz CRZLZKZQNZIQKK-XZOQPEGZSA-N 2 2 423.605 3.673 20 0 HHADLP CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000536864909 1012100971 /nfs/dbraw/zinc/10/09/71/1012100971.db2.gz STOXFXVZPCYYRF-FCHUYYIVSA-N 2 2 409.578 3.659 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867448 1012105246 /nfs/dbraw/zinc/10/52/46/1012105246.db2.gz BWSNNNDEBTUCLT-OXQOHEQNSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867448 1012105256 /nfs/dbraw/zinc/10/52/56/1012105256.db2.gz BWSNNNDEBTUCLT-OXQOHEQNSA-N 2 2 411.937 3.828 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1Cl ZINC000552098832 1012115379 /nfs/dbraw/zinc/11/53/79/1012115379.db2.gz POGYKHGZPHIIHC-BPIHKTFHSA-N 2 2 407.986 3.861 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1Cl ZINC000552098832 1012115387 /nfs/dbraw/zinc/11/53/87/1012115387.db2.gz POGYKHGZPHIIHC-BPIHKTFHSA-N 2 2 407.986 3.861 20 0 HHADLP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000536876063 1012119369 /nfs/dbraw/zinc/11/93/69/1012119369.db2.gz KYZXJKVGMOGPGY-JPYJTQIMSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000536876063 1012119375 /nfs/dbraw/zinc/11/93/75/1012119375.db2.gz KYZXJKVGMOGPGY-JPYJTQIMSA-N 2 2 415.603 3.792 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccncc2)s1 ZINC000552305276 1012317529 /nfs/dbraw/zinc/31/75/29/1012317529.db2.gz DBIFWIDZZHKYHM-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccncc2)s1 ZINC000552305276 1012317541 /nfs/dbraw/zinc/31/75/41/1012317541.db2.gz DBIFWIDZZHKYHM-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000541558571 1012346347 /nfs/dbraw/zinc/34/63/47/1012346347.db2.gz FFHFQRWOCRFWHC-UHFFFAOYSA-N 2 2 402.542 3.850 20 0 HHADLP O=C(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000537104293 1012470745 /nfs/dbraw/zinc/47/07/45/1012470745.db2.gz QOPBZOJCOTXYBI-HSZRJFAPSA-N 2 2 412.965 3.905 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccsc2C(=O)OC)CC1 ZINC000537109316 1012481903 /nfs/dbraw/zinc/48/19/03/1012481903.db2.gz HZEBNUBIBXPRJH-OAHLLOKOSA-N 2 2 405.539 3.667 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccsc2C(=O)OC)CC1 ZINC000537109315 1012482064 /nfs/dbraw/zinc/48/20/64/1012482064.db2.gz HZEBNUBIBXPRJH-HNNXBMFYSA-N 2 2 405.539 3.667 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2c(F)cc(Cl)cc2F)([NH+]2CCCCC2)CC1 ZINC000537116727 1012494953 /nfs/dbraw/zinc/49/49/53/1012494953.db2.gz SUMMTYHRMGJRKB-UHFFFAOYSA-N 2 2 400.901 3.690 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000541732963 1012587412 /nfs/dbraw/zinc/58/74/12/1012587412.db2.gz CEQKNSQEXQJULS-CEWLAPEOSA-N 2 2 401.576 3.752 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2)cc[nH+]1 ZINC000541769475 1012635007 /nfs/dbraw/zinc/63/50/07/1012635007.db2.gz YYRDKKOICHJOMT-UHFFFAOYSA-N 2 2 415.541 3.923 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226540 1012656379 /nfs/dbraw/zinc/65/63/79/1012656379.db2.gz ZQBQBXDNRZYQCM-GOTSBHOMSA-N 2 2 414.594 3.999 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226540 1012656390 /nfs/dbraw/zinc/65/63/90/1012656390.db2.gz ZQBQBXDNRZYQCM-GOTSBHOMSA-N 2 2 414.594 3.999 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537227670 1012659948 /nfs/dbraw/zinc/65/99/48/1012659948.db2.gz HCOHNZHOWUIPFX-ROUUACIJSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537227670 1012659954 /nfs/dbraw/zinc/65/99/54/1012659954.db2.gz HCOHNZHOWUIPFX-ROUUACIJSA-N 2 2 405.612 3.821 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238638 1012677412 /nfs/dbraw/zinc/67/74/12/1012677412.db2.gz ZAFMZBHDFKSAQT-RTWAWAEBSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238638 1012677423 /nfs/dbraw/zinc/67/74/23/1012677423.db2.gz ZAFMZBHDFKSAQT-RTWAWAEBSA-N 2 2 418.582 3.505 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000552681880 1012691026 /nfs/dbraw/zinc/69/10/26/1012691026.db2.gz REEDNJKQEZCOPO-DEOSSOPVSA-N 2 2 424.495 3.748 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552681880 1012691033 /nfs/dbraw/zinc/69/10/33/1012691033.db2.gz REEDNJKQEZCOPO-DEOSSOPVSA-N 2 2 424.495 3.748 20 0 HHADLP CSC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913397 1012771108 /nfs/dbraw/zinc/77/11/08/1012771108.db2.gz IXACEOLVJDCKIA-ROUUACIJSA-N 2 2 417.541 3.642 20 0 HHADLP CSC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913397 1012771124 /nfs/dbraw/zinc/77/11/24/1012771124.db2.gz IXACEOLVJDCKIA-ROUUACIJSA-N 2 2 417.541 3.642 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](Cc3ccccn3)c3cccnc3)[nH+]c2)CC1 ZINC000537485797 1012996231 /nfs/dbraw/zinc/99/62/31/1012996231.db2.gz GKTZUSINEISGGV-HSZRJFAPSA-N 2 2 402.546 3.798 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684387 1071807143 /nfs/dbraw/zinc/80/71/43/1071807143.db2.gz NQVKUMVPDNHRSR-RTWAWAEBSA-N 2 2 408.571 3.613 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684387 1071807157 /nfs/dbraw/zinc/80/71/57/1071807157.db2.gz NQVKUMVPDNHRSR-RTWAWAEBSA-N 2 2 408.571 3.613 20 0 HHADLP CC[C@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001687423678 1071964537 /nfs/dbraw/zinc/96/45/37/1071964537.db2.gz DBMVUXJTSWUANF-ZEQRLZLVSA-N 2 2 417.557 3.930 20 0 HHADLP CC[C@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001687423678 1071964547 /nfs/dbraw/zinc/96/45/47/1071964547.db2.gz DBMVUXJTSWUANF-ZEQRLZLVSA-N 2 2 417.557 3.930 20 0 HHADLP C[C@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001687424123 1071969595 /nfs/dbraw/zinc/96/95/95/1071969595.db2.gz NWTCSOBPMLLACD-QPPBQGQZSA-N 2 2 417.557 3.788 20 0 HHADLP C[C@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001687424123 1071969605 /nfs/dbraw/zinc/96/96/05/1071969605.db2.gz NWTCSOBPMLLACD-QPPBQGQZSA-N 2 2 417.557 3.788 20 0 HHADLP Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+](C2CC[NH+](CC4CC4)CC2)CCO3)cs1 ZINC001168377568 1072513180 /nfs/dbraw/zinc/51/31/80/1072513180.db2.gz IQBAFNKCNNHCKV-NZQKXSOJSA-N 2 2 419.635 3.714 20 0 HHADLP Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+](C2CC[NH+](CC4CC4)CC2)CCO3)cs1 ZINC001168377568 1072513191 /nfs/dbraw/zinc/51/31/91/1072513191.db2.gz IQBAFNKCNNHCKV-NZQKXSOJSA-N 2 2 419.635 3.714 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392992 1072806619 /nfs/dbraw/zinc/80/66/19/1072806619.db2.gz MGQBLWZOXUVPBL-KBPBESRZSA-N 2 2 422.422 3.659 20 0 HHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479392992 1072806628 /nfs/dbraw/zinc/80/66/28/1072806628.db2.gz MGQBLWZOXUVPBL-KBPBESRZSA-N 2 2 422.422 3.659 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852183 1072901669 /nfs/dbraw/zinc/90/16/69/1072901669.db2.gz UDJUPOBWKLXZFC-UYAOXDASSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852183 1072901675 /nfs/dbraw/zinc/90/16/75/1072901675.db2.gz UDJUPOBWKLXZFC-UYAOXDASSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852183 1072901691 /nfs/dbraw/zinc/90/16/91/1072901691.db2.gz UDJUPOBWKLXZFC-UYAOXDASSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852183 1072901696 /nfs/dbraw/zinc/90/16/96/1072901696.db2.gz UDJUPOBWKLXZFC-UYAOXDASSA-N 2 2 417.594 3.996 20 0 HHADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)COc1ccc(Oc2ccccc2)cc1 ZINC000554863753 1072922339 /nfs/dbraw/zinc/92/23/39/1072922339.db2.gz WQANTXDXYCPCKG-OAQYLSRUSA-N 2 2 419.525 3.872 20 0 HHADLP C[NH+](C)CCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588720971 1073180154 /nfs/dbraw/zinc/18/01/54/1073180154.db2.gz VFMAZGDSAIRVAG-QFIPXVFZSA-N 2 2 414.981 3.708 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156896 1073599674 /nfs/dbraw/zinc/59/96/74/1073599674.db2.gz FVXOGLXEEMIMGI-WOIUINJBSA-N 2 2 409.578 3.977 20 0 HHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598185 1073664090 /nfs/dbraw/zinc/66/40/90/1073664090.db2.gz TYIKBAHBHPNXBG-DEOSSOPVSA-N 2 2 401.570 3.905 20 0 HHADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598185 1073664097 /nfs/dbraw/zinc/66/40/97/1073664097.db2.gz TYIKBAHBHPNXBG-DEOSSOPVSA-N 2 2 401.570 3.905 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598185 1073664107 /nfs/dbraw/zinc/66/41/07/1073664107.db2.gz TYIKBAHBHPNXBG-DEOSSOPVSA-N 2 2 401.570 3.905 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598185 1073664114 /nfs/dbraw/zinc/66/41/14/1073664114.db2.gz TYIKBAHBHPNXBG-DEOSSOPVSA-N 2 2 401.570 3.905 20 0 HHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000600429026 1073876091 /nfs/dbraw/zinc/87/60/91/1073876091.db2.gz IQUKVMHNPOQQIM-HXUWFJFHSA-N 2 2 403.929 3.935 20 0 HHADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000600429026 1073876102 /nfs/dbraw/zinc/87/61/02/1073876102.db2.gz IQUKVMHNPOQQIM-HXUWFJFHSA-N 2 2 403.929 3.935 20 0 HHADLP O=C(N1CCC[C@H](n2cc[nH+]c2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000590728193 1073978114 /nfs/dbraw/zinc/97/81/14/1073978114.db2.gz RXXNTVILIMVDOK-AZUAARDMSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC[C@H](n2cc[nH+]c2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000590728193 1073978117 /nfs/dbraw/zinc/97/81/17/1073978117.db2.gz RXXNTVILIMVDOK-AZUAARDMSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590851632 1074017996 /nfs/dbraw/zinc/01/79/96/1074017996.db2.gz WHWDDOLABORQPK-YLJYHZDGSA-N 2 2 401.942 3.720 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000591045198 1074090038 /nfs/dbraw/zinc/09/00/38/1074090038.db2.gz UMFKLVDHRPBFTL-FQEVSTJZSA-N 2 2 422.573 3.734 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000591045198 1074090042 /nfs/dbraw/zinc/09/00/42/1074090042.db2.gz UMFKLVDHRPBFTL-FQEVSTJZSA-N 2 2 422.573 3.734 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591522151 1074362039 /nfs/dbraw/zinc/36/20/39/1074362039.db2.gz SLZUZTAODRPLMN-JTSKRJEESA-N 2 2 414.525 3.643 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523470 1074365952 /nfs/dbraw/zinc/36/59/52/1074365952.db2.gz NNAILRCLITVCOH-RTBURBONSA-N 2 2 402.583 3.712 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523470 1074365956 /nfs/dbraw/zinc/36/59/56/1074365956.db2.gz NNAILRCLITVCOH-RTBURBONSA-N 2 2 402.583 3.712 20 0 HHADLP C/C=C\c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000574264434 1075192710 /nfs/dbraw/zinc/19/27/10/1075192710.db2.gz ROVQAJMJFCNBPU-ZRHASKPBSA-N 2 2 411.477 3.583 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000594245814 1075271043 /nfs/dbraw/zinc/27/10/43/1075271043.db2.gz TXGCPVUWLBNOTC-SJBKTWHCSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000594245815 1075271057 /nfs/dbraw/zinc/27/10/57/1075271057.db2.gz TXGCPVUWLBNOTC-VWPQPMDRSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000594245815 1075271059 /nfs/dbraw/zinc/27/10/59/1075271059.db2.gz TXGCPVUWLBNOTC-VWPQPMDRSA-N 2 2 414.594 3.778 20 0 HHADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761125040 1075498550 /nfs/dbraw/zinc/49/85/50/1075498550.db2.gz WKMNAKZCKSXFJL-UHFFFAOYSA-N 2 2 416.013 3.825 20 0 HHADLP CCOC(=O)Nc1ccc2c(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc(=O)oc2c1 ZINC000761126148 1075501813 /nfs/dbraw/zinc/50/18/13/1075501813.db2.gz QXZCJYODKUWFNZ-UHFFFAOYSA-N 2 2 422.485 3.833 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000595957404 1075525501 /nfs/dbraw/zinc/52/55/01/1075525501.db2.gz SQFNNQQGOKRLBD-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP CN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472699 1075618313 /nfs/dbraw/zinc/61/83/13/1075618313.db2.gz OZDXUIUSBVZDCX-QFIPXVFZSA-N 2 2 415.622 3.770 20 0 HHADLP CN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472699 1075618315 /nfs/dbraw/zinc/61/83/15/1075618315.db2.gz OZDXUIUSBVZDCX-QFIPXVFZSA-N 2 2 415.622 3.770 20 0 HHADLP CN(C(=O)CCCSc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474745 1075619284 /nfs/dbraw/zinc/61/92/84/1075619284.db2.gz QZIUZCAHDWHZKU-IBGZPJMESA-N 2 2 410.027 3.839 20 0 HHADLP CN(C(=O)CCCSc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474745 1075619286 /nfs/dbraw/zinc/61/92/86/1075619286.db2.gz QZIUZCAHDWHZKU-IBGZPJMESA-N 2 2 410.027 3.839 20 0 HHADLP CN(C(=O)C1(c2cccc(Cl)c2)CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477773 1075620464 /nfs/dbraw/zinc/62/04/64/1075620464.db2.gz UKXVGUUJMAYOIM-NRFANRHFSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)C1(c2cccc(Cl)c2)CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477773 1075620466 /nfs/dbraw/zinc/62/04/66/1075620466.db2.gz UKXVGUUJMAYOIM-NRFANRHFSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)c1ccccc1N(C)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478789 1075621384 /nfs/dbraw/zinc/62/13/84/1075621384.db2.gz HMMPGDWGPLKLPO-QFIPXVFZSA-N 2 2 406.574 3.695 20 0 HHADLP CN(C(=O)c1ccccc1N(C)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478789 1075621387 /nfs/dbraw/zinc/62/13/87/1075621387.db2.gz HMMPGDWGPLKLPO-QFIPXVFZSA-N 2 2 406.574 3.695 20 0 HHADLP CN(C(=O)N[C@H]1CC(C)(C)CCc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669607356 1075639841 /nfs/dbraw/zinc/63/98/41/1075639841.db2.gz GEGOGAADFIREMV-GGAORHGYSA-N 2 2 412.622 3.900 20 0 HHADLP CN(C(=O)N[C@H]1CC(C)(C)CCc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669607356 1075639843 /nfs/dbraw/zinc/63/98/43/1075639843.db2.gz GEGOGAADFIREMV-GGAORHGYSA-N 2 2 412.622 3.900 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2c(C)cccc12 ZINC001164826505 720295744 /nfs/dbraw/zinc/29/57/44/720295744.db2.gz VLRAPPUUBKBFOK-FCHUYYIVSA-N 2 2 406.574 3.763 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1F ZINC001164841372 720639703 /nfs/dbraw/zinc/63/97/03/720639703.db2.gz SFEMGQMQACPHAE-WOIUINJBSA-N 2 2 423.536 3.957 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1F ZINC001164841372 720639722 /nfs/dbraw/zinc/63/97/22/720639722.db2.gz SFEMGQMQACPHAE-WOIUINJBSA-N 2 2 423.536 3.957 20 0 HHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(Cn5cncn5)c[nH+]4)CC3)CC2)cc1 ZINC001164760569 721046001 /nfs/dbraw/zinc/04/60/01/721046001.db2.gz WLORNZVTUULIPL-UHFFFAOYSA-N 2 2 416.573 3.912 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC001164873231 721221859 /nfs/dbraw/zinc/22/18/59/721221859.db2.gz QFUGJABNWCQHGU-QFIPXVFZSA-N 2 2 421.589 3.899 20 0 HHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC001164873231 721221862 /nfs/dbraw/zinc/22/18/62/721221862.db2.gz QFUGJABNWCQHGU-QFIPXVFZSA-N 2 2 421.589 3.899 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022613 721819679 /nfs/dbraw/zinc/81/96/79/721819679.db2.gz GBACPFQUTPXGFM-UMSKHRSJSA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022613 721819680 /nfs/dbraw/zinc/81/96/80/721819680.db2.gz GBACPFQUTPXGFM-UMSKHRSJSA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022612 721820007 /nfs/dbraw/zinc/82/00/07/721820007.db2.gz GBACPFQUTPXGFM-JKPRVCTESA-N 2 2 420.557 3.708 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022612 721820009 /nfs/dbraw/zinc/82/00/09/721820009.db2.gz GBACPFQUTPXGFM-JKPRVCTESA-N 2 2 420.557 3.708 20 0 HHADLP Cc1ccc(Cl)c(O[C@@H]2CCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)c1 ZINC001165050512 721979700 /nfs/dbraw/zinc/97/97/00/721979700.db2.gz UHYDMZFWXLDAKD-GOSISDBHSA-N 2 2 400.954 3.843 20 0 HHADLP COc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960729 722058249 /nfs/dbraw/zinc/05/82/49/722058249.db2.gz JTNWEWVJIYUXAR-UHFFFAOYSA-N 2 2 418.541 3.757 20 0 HHADLP COc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164960729 722058250 /nfs/dbraw/zinc/05/82/50/722058250.db2.gz JTNWEWVJIYUXAR-UHFFFAOYSA-N 2 2 418.541 3.757 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301239117 970826283 /nfs/dbraw/zinc/82/62/83/970826283.db2.gz LTIIOXGANQBPJF-PMACEKPBSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301239117 970826294 /nfs/dbraw/zinc/82/62/94/970826294.db2.gz LTIIOXGANQBPJF-PMACEKPBSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301239117 970826303 /nfs/dbraw/zinc/82/63/03/970826303.db2.gz LTIIOXGANQBPJF-PMACEKPBSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301239117 970826312 /nfs/dbraw/zinc/82/63/12/970826312.db2.gz LTIIOXGANQBPJF-PMACEKPBSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301251814 970833568 /nfs/dbraw/zinc/83/35/68/970833568.db2.gz QACBTDIVEWDSLS-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301251814 970833577 /nfs/dbraw/zinc/83/35/77/970833577.db2.gz QACBTDIVEWDSLS-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301251814 970833586 /nfs/dbraw/zinc/83/35/86/970833586.db2.gz QACBTDIVEWDSLS-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301251814 970833599 /nfs/dbraw/zinc/83/35/99/970833599.db2.gz QACBTDIVEWDSLS-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000301845807 971084150 /nfs/dbraw/zinc/08/41/50/971084150.db2.gz TVIIZMDYGXZGGM-IAGOWNOFSA-N 2 2 408.550 3.803 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000524254117 1013065007 /nfs/dbraw/zinc/06/50/07/1013065007.db2.gz OIJZGFNOOQJYKE-WOJBJXKFSA-N 2 2 416.610 3.882 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000542135008 1013066667 /nfs/dbraw/zinc/06/66/67/1013066667.db2.gz OUWIUQPXJCFOJJ-IBGZPJMESA-N 2 2 411.550 3.729 20 0 HHADLP CCOC1CC(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)([NH+]2CCOCC2)C1 ZINC000302831758 971339490 /nfs/dbraw/zinc/33/94/90/971339490.db2.gz RBKLTOVDMMUNSM-UHFFFAOYSA-N 2 2 409.452 3.935 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000302888510 971373130 /nfs/dbraw/zinc/37/31/30/971373130.db2.gz AIACBIXMSURLKA-KPKJPENVSA-N 2 2 418.585 3.692 20 0 HHADLP O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303093938 971499457 /nfs/dbraw/zinc/49/94/57/971499457.db2.gz FCODAMFLXDXYPJ-UHFFFAOYSA-N 2 2 413.562 3.978 20 0 HHADLP O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000303093938 971499461 /nfs/dbraw/zinc/49/94/61/971499461.db2.gz FCODAMFLXDXYPJ-UHFFFAOYSA-N 2 2 413.562 3.978 20 0 HHADLP Cc1ccc(N2CCC(C(=O)N(CCCc3ccccc3)CC[NH+](C)C)CC2)[nH+]c1 ZINC000303102035 971504690 /nfs/dbraw/zinc/50/46/90/971504690.db2.gz HXPLYNUUPNGSTO-UHFFFAOYSA-N 2 2 408.590 3.629 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000303595986 971888066 /nfs/dbraw/zinc/88/80/66/971888066.db2.gz IYYUZAPOBKAGBX-XUZZJYLKSA-N 2 2 421.589 3.615 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180062 1013119014 /nfs/dbraw/zinc/11/90/14/1013119014.db2.gz SNZLVDVIEFXFMH-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180062 1013119022 /nfs/dbraw/zinc/11/90/22/1013119022.db2.gz SNZLVDVIEFXFMH-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP Cc1ccccc1-c1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000303939267 972520098 /nfs/dbraw/zinc/52/00/98/972520098.db2.gz DRYSYKAWXZHXGQ-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698138 1013263160 /nfs/dbraw/zinc/26/31/60/1013263160.db2.gz RLKJMWFIFUDMPH-ISKFKSNPSA-N 2 2 401.558 3.910 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698138 1013263170 /nfs/dbraw/zinc/26/31/70/1013263170.db2.gz RLKJMWFIFUDMPH-ISKFKSNPSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698138 1013263177 /nfs/dbraw/zinc/26/31/77/1013263177.db2.gz RLKJMWFIFUDMPH-ISKFKSNPSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)CC[C@H]21 ZINC000537698138 1013263185 /nfs/dbraw/zinc/26/31/85/1013263185.db2.gz RLKJMWFIFUDMPH-ISKFKSNPSA-N 2 2 401.558 3.910 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccsc1 ZINC000542328668 1013284416 /nfs/dbraw/zinc/28/44/16/1013284416.db2.gz ZCINKJIVRFERRN-XLIONFOSSA-N 2 2 400.592 3.974 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000537761065 1013323967 /nfs/dbraw/zinc/32/39/67/1013323967.db2.gz VZPFRMQHGAQACK-HOYKHHGWSA-N 2 2 418.541 3.556 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000542508093 1013452004 /nfs/dbraw/zinc/45/20/04/1013452004.db2.gz ZGCRDFPDGRIOSL-OAQYLSRUSA-N 2 2 402.966 3.985 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000542508093 1013452010 /nfs/dbraw/zinc/45/20/10/1013452010.db2.gz ZGCRDFPDGRIOSL-OAQYLSRUSA-N 2 2 402.966 3.985 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000024254924 963968658 /nfs/dbraw/zinc/96/86/58/963968658.db2.gz ZQCYLTVGWVADOO-OAQYLSRUSA-N 2 2 401.938 3.852 20 0 HHADLP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccnc1 ZINC000537898919 1013484216 /nfs/dbraw/zinc/48/42/16/1013484216.db2.gz OBZBTRZLBHJJEO-QFIPXVFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccnc1 ZINC000537898919 1013484231 /nfs/dbraw/zinc/48/42/31/1013484231.db2.gz OBZBTRZLBHJJEO-QFIPXVFZSA-N 2 2 414.981 3.899 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050797694 964400141 /nfs/dbraw/zinc/40/01/41/964400141.db2.gz SYCJAEUTHCKNRY-UHFFFAOYSA-N 2 2 412.405 3.991 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797783 964400376 /nfs/dbraw/zinc/40/03/76/964400376.db2.gz AVWJRWGTUHKPKY-IBGZPJMESA-N 2 2 401.595 3.561 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000051777843 964695167 /nfs/dbraw/zinc/69/51/67/964695167.db2.gz LLKZXAGSTSYDNQ-OAQYLSRUSA-N 2 2 404.986 3.745 20 0 HHADLP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1Br ZINC000052134818 964818201 /nfs/dbraw/zinc/81/82/01/964818201.db2.gz PFOJOTUFNIDQKW-MRXNPFEDSA-N 2 2 410.400 3.823 20 0 HHADLP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1Br ZINC000052134818 964818210 /nfs/dbraw/zinc/81/82/10/964818210.db2.gz PFOJOTUFNIDQKW-MRXNPFEDSA-N 2 2 410.400 3.823 20 0 HHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000537962536 1013541272 /nfs/dbraw/zinc/54/12/72/1013541272.db2.gz CDHDQXLNYXMOAQ-CEXWTWQISA-N 2 2 411.359 3.933 20 0 HHADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000537986981 1013561507 /nfs/dbraw/zinc/56/15/07/1013561507.db2.gz MTTWJPVDKMRGOM-JPYJTQIMSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000537986981 1013561517 /nfs/dbraw/zinc/56/15/17/1013561517.db2.gz MTTWJPVDKMRGOM-JPYJTQIMSA-N 2 2 415.603 3.792 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)C1 ZINC000057783321 965545130 /nfs/dbraw/zinc/54/51/30/965545130.db2.gz UKHOUGSEQWJSNE-FQEVSTJZSA-N 2 2 421.589 3.913 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)C1 ZINC000057783321 965545134 /nfs/dbraw/zinc/54/51/34/965545134.db2.gz UKHOUGSEQWJSNE-FQEVSTJZSA-N 2 2 421.589 3.913 20 0 HHADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000054509417 965548829 /nfs/dbraw/zinc/54/88/29/965548829.db2.gz DEHDJFLEUOAMKB-LPHOPBHVSA-N 2 2 410.965 3.647 20 0 HHADLP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000054509417 965548844 /nfs/dbraw/zinc/54/88/44/965548844.db2.gz DEHDJFLEUOAMKB-LPHOPBHVSA-N 2 2 410.965 3.647 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651244 1013581579 /nfs/dbraw/zinc/58/15/79/1013581579.db2.gz OWVVCUAIGCZULQ-GGAORHGYSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651244 1013581585 /nfs/dbraw/zinc/58/15/85/1013581585.db2.gz OWVVCUAIGCZULQ-GGAORHGYSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1cc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000029953616 965574087 /nfs/dbraw/zinc/57/40/87/965574087.db2.gz DWMFOMJZKAJSOO-UHFFFAOYSA-N 2 2 421.589 3.857 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054725769 965622490 /nfs/dbraw/zinc/62/24/90/965622490.db2.gz QSDDECSETKMETD-PMACEKPBSA-N 2 2 411.594 3.530 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000058414891 965722956 /nfs/dbraw/zinc/72/29/56/965722956.db2.gz LSXDWHWCBZNDPP-UHFFFAOYSA-N 2 2 410.562 3.723 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058809924 965913454 /nfs/dbraw/zinc/91/34/54/965913454.db2.gz KFVUUVMGCRAXQO-DEOSSOPVSA-N 2 2 423.626 3.866 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058860108 965931480 /nfs/dbraw/zinc/93/14/80/965931480.db2.gz YUGPMOQNWVINIZ-XMMPIXPASA-N 2 2 423.626 3.805 20 0 HHADLP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000538043798 1013616133 /nfs/dbraw/zinc/61/61/33/1013616133.db2.gz HTKPWVFEWLQWCY-PMACEKPBSA-N 2 2 413.562 3.740 20 0 HHADLP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056479548 966354445 /nfs/dbraw/zinc/35/44/45/966354445.db2.gz MFAYODJSNRMJAI-UHFFFAOYSA-N 2 2 415.541 3.716 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790499 966554775 /nfs/dbraw/zinc/55/47/75/966554775.db2.gz CWXJCQLJAOOLJP-FQEVSTJZSA-N 2 2 414.575 3.787 20 0 HHADLP CC(C)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100460 1013669609 /nfs/dbraw/zinc/66/96/09/1013669609.db2.gz FFPANPVEFXVTPA-HXUWFJFHSA-N 2 2 402.410 3.670 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)nc12 ZINC000063313020 966814417 /nfs/dbraw/zinc/81/44/17/966814417.db2.gz ADKXAFFLMSJSEI-SFTDATJTSA-N 2 2 422.573 3.811 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000538118861 1013679698 /nfs/dbraw/zinc/67/96/98/1013679698.db2.gz LIUZOFFVFCOILZ-QZTJIDSGSA-N 2 2 417.500 3.844 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464229 966867391 /nfs/dbraw/zinc/86/73/91/966867391.db2.gz QVBIGGMLEWNPHS-XMMPIXPASA-N 2 2 417.557 3.643 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464229 966867398 /nfs/dbraw/zinc/86/73/98/966867398.db2.gz QVBIGGMLEWNPHS-XMMPIXPASA-N 2 2 417.557 3.643 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043517053 966988611 /nfs/dbraw/zinc/98/86/11/966988611.db2.gz FKPXCACMZNVFGC-UHFFFAOYSA-N 2 2 413.591 3.869 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043517053 966988614 /nfs/dbraw/zinc/98/86/14/966988614.db2.gz FKPXCACMZNVFGC-UHFFFAOYSA-N 2 2 413.591 3.869 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(F)c1 ZINC000043517577 966988677 /nfs/dbraw/zinc/98/86/77/966988677.db2.gz ZYADFXUXZWMQKY-GOSISDBHSA-N 2 2 405.543 3.693 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000538130370 1013692637 /nfs/dbraw/zinc/69/26/37/1013692637.db2.gz SFIPTIFXWAUTGQ-JOCHJYFZSA-N 2 2 415.965 3.529 20 0 HHADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000064348743 967149938 /nfs/dbraw/zinc/14/99/38/967149938.db2.gz FOASPEFFMVKHQR-LJQANCHMSA-N 2 2 406.530 3.950 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000064348743 967149954 /nfs/dbraw/zinc/14/99/54/967149954.db2.gz FOASPEFFMVKHQR-LJQANCHMSA-N 2 2 406.530 3.950 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCCC2)cc1 ZINC000044877359 967307423 /nfs/dbraw/zinc/30/74/23/967307423.db2.gz YFGVEXUUTGFCLT-DEOSSOPVSA-N 2 2 418.541 3.897 20 0 HHADLP CC1CC[NH+](CCCNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045122656 967357402 /nfs/dbraw/zinc/35/74/02/967357402.db2.gz FVFRPXUKPCVUBD-BGYRXZFFSA-N 2 2 402.583 3.539 20 0 HHADLP CC1CC[NH+](CCCNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045122656 967357412 /nfs/dbraw/zinc/35/74/12/967357412.db2.gz FVFRPXUKPCVUBD-BGYRXZFFSA-N 2 2 402.583 3.539 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000045454466 967465123 /nfs/dbraw/zinc/46/51/23/967465123.db2.gz SZWMFMUPKNTTJO-KDURUIRLSA-N 2 2 413.566 3.676 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000045454466 967465129 /nfs/dbraw/zinc/46/51/29/967465129.db2.gz SZWMFMUPKNTTJO-KDURUIRLSA-N 2 2 413.566 3.676 20 0 HHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491378 967476863 /nfs/dbraw/zinc/47/68/63/967476863.db2.gz GNUYZBFMUVQGEK-UHFFFAOYSA-N 2 2 415.607 3.797 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000538211292 1013764438 /nfs/dbraw/zinc/76/44/38/1013764438.db2.gz SWABPWOOGCRIGA-MHECFPHRSA-N 2 2 424.564 3.638 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211987 1013765350 /nfs/dbraw/zinc/76/53/50/1013765350.db2.gz PMAPUNSQBWIDOG-OALUTQOASA-N 2 2 422.552 3.960 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000047295654 968129016 /nfs/dbraw/zinc/12/90/16/968129016.db2.gz IVVMXARHRBFYOK-JOCHJYFZSA-N 2 2 404.514 3.507 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109672 1013801603 /nfs/dbraw/zinc/80/16/03/1013801603.db2.gz ZZZIJUUQIYTDLG-BEFAXECRSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109672 1013801612 /nfs/dbraw/zinc/80/16/12/1013801612.db2.gz ZZZIJUUQIYTDLG-BEFAXECRSA-N 2 2 419.570 3.939 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000048214321 968486554 /nfs/dbraw/zinc/48/65/54/968486554.db2.gz RNOAUQHEQPQPMJ-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000048221007 968489727 /nfs/dbraw/zinc/48/97/27/968489727.db2.gz MDKRQTOYYVAUEE-UHFFFAOYSA-N 2 2 417.557 3.917 20 0 HHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000065932545 968722764 /nfs/dbraw/zinc/72/27/64/968722764.db2.gz RWBPAPUHSUSNEN-UHFFFAOYSA-N 2 2 415.497 3.848 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000072071929 968972243 /nfs/dbraw/zinc/97/22/43/968972243.db2.gz URIKSVGOLBOUMG-HMFYCAOWSA-N 2 2 419.635 3.616 20 0 HHADLP COc1ccc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187807 969225337 /nfs/dbraw/zinc/22/53/37/969225337.db2.gz BSGYGKYQRAIOQR-JOCHJYFZSA-N 2 2 415.965 3.734 20 0 HHADLP COc1ccc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000105187807 969225345 /nfs/dbraw/zinc/22/53/45/969225345.db2.gz BSGYGKYQRAIOQR-JOCHJYFZSA-N 2 2 415.965 3.734 20 0 HHADLP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000109546746 969531139 /nfs/dbraw/zinc/53/11/39/969531139.db2.gz OSGHLVLUQBBZMF-UHFFFAOYSA-N 2 2 424.467 3.690 20 0 HHADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000111041764 969765386 /nfs/dbraw/zinc/76/53/86/969765386.db2.gz RYZFHBYFKMSZLM-VWLOTQADSA-N 2 2 422.617 3.523 20 0 HHADLP COc1cc(OC)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000237332063 970264950 /nfs/dbraw/zinc/26/49/50/970264950.db2.gz BPVMOIKALCHIHS-QZTJIDSGSA-N 2 2 414.546 3.611 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237910638 970392727 /nfs/dbraw/zinc/39/27/27/970392727.db2.gz BTGBPLUFMYZMJR-XZOQPEGZSA-N 2 2 417.578 3.678 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237910638 970392737 /nfs/dbraw/zinc/39/27/37/970392737.db2.gz BTGBPLUFMYZMJR-XZOQPEGZSA-N 2 2 417.578 3.678 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251802485 970551020 /nfs/dbraw/zinc/55/10/20/970551020.db2.gz YBXAHGRJSNAZCD-NHCUHLMSSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251802485 970551036 /nfs/dbraw/zinc/55/10/36/970551036.db2.gz YBXAHGRJSNAZCD-NHCUHLMSSA-N 2 2 410.606 3.659 20 0 HHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000554682764 1014011678 /nfs/dbraw/zinc/01/16/78/1014011678.db2.gz YVIQKVLYJOEQIU-GOSISDBHSA-N 2 2 415.607 3.593 20 0 HHADLP C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2sccc2C1 ZINC000554682764 1014011682 /nfs/dbraw/zinc/01/16/82/1014011682.db2.gz YVIQKVLYJOEQIU-GOSISDBHSA-N 2 2 415.607 3.593 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000261441725 970684185 /nfs/dbraw/zinc/68/41/85/970684185.db2.gz MOKPFXLVPNVUDG-QFIPXVFZSA-N 2 2 413.587 3.746 20 0 HHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2c(c1)c(C)nn2C ZINC000261446341 970687456 /nfs/dbraw/zinc/68/74/56/970687456.db2.gz KELRVFVYHYOGOG-UHFFFAOYSA-N 2 2 418.545 3.964 20 0 HHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2c(c1)c(C)nn2C ZINC000261446341 970687462 /nfs/dbraw/zinc/68/74/62/970687462.db2.gz KELRVFVYHYOGOG-UHFFFAOYSA-N 2 2 418.545 3.964 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410044992 973526068 /nfs/dbraw/zinc/52/60/68/973526068.db2.gz XDVGOWVBKOYFJU-NRFANRHFSA-N 2 2 421.589 3.773 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000410359548 973951954 /nfs/dbraw/zinc/95/19/54/973951954.db2.gz MTZSDKMSMGOPFA-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000410359548 973951960 /nfs/dbraw/zinc/95/19/60/973951960.db2.gz MTZSDKMSMGOPFA-UHFFFAOYSA-N 2 2 405.546 3.771 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426012225 974130254 /nfs/dbraw/zinc/13/02/54/974130254.db2.gz CGHFYUATANJIIN-QIJUGHKUSA-N 2 2 409.578 3.921 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426012225 974130258 /nfs/dbraw/zinc/13/02/58/974130258.db2.gz CGHFYUATANJIIN-QIJUGHKUSA-N 2 2 409.578 3.921 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026098 974147769 /nfs/dbraw/zinc/14/77/69/974147769.db2.gz ZEPHJCCSYZGZQA-FGZHOGPDSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026098 974147773 /nfs/dbraw/zinc/14/77/73/974147773.db2.gz ZEPHJCCSYZGZQA-FGZHOGPDSA-N 2 2 414.981 3.551 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426030705 974152289 /nfs/dbraw/zinc/15/22/89/974152289.db2.gz VDFCOTMUYWDAKD-PTUXOGIPSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426030705 974152294 /nfs/dbraw/zinc/15/22/94/974152294.db2.gz VDFCOTMUYWDAKD-PTUXOGIPSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000426152010 974269061 /nfs/dbraw/zinc/26/90/61/974269061.db2.gz YONITAHVVZSCHA-SIKLNZKXSA-N 2 2 411.550 3.863 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426239142 974335520 /nfs/dbraw/zinc/33/55/20/974335520.db2.gz QXOICFPJDOLDCA-QPTUXGOLSA-N 2 2 417.557 3.584 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc(F)c1 ZINC000426252827 974347641 /nfs/dbraw/zinc/34/76/41/974347641.db2.gz BMXLXZIHPSDNIK-YTFSRNRJSA-N 2 2 421.520 3.853 20 0 HHADLP CCn1c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000426769913 974645975 /nfs/dbraw/zinc/64/59/75/974645975.db2.gz MWUNFNCVKQZGSP-HDICACEKSA-N 2 2 402.558 3.907 20 0 HHADLP CCn1c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000426769913 974645978 /nfs/dbraw/zinc/64/59/78/974645978.db2.gz MWUNFNCVKQZGSP-HDICACEKSA-N 2 2 402.558 3.907 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@H](C)O1 ZINC000426770007 974647212 /nfs/dbraw/zinc/64/72/12/974647212.db2.gz NWKZKZOMWNSXMV-KGVIQGDOSA-N 2 2 419.997 3.657 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@H](C)O1 ZINC000426770007 974647218 /nfs/dbraw/zinc/64/72/18/974647218.db2.gz NWKZKZOMWNSXMV-KGVIQGDOSA-N 2 2 419.997 3.657 20 0 HHADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426788447 974660274 /nfs/dbraw/zinc/66/02/74/974660274.db2.gz NIDZZDZQGLLHAW-IXDOHACOSA-N 2 2 409.521 3.503 20 0 HHADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426788447 974660279 /nfs/dbraw/zinc/66/02/79/974660279.db2.gz NIDZZDZQGLLHAW-IXDOHACOSA-N 2 2 409.521 3.503 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847363 975319691 /nfs/dbraw/zinc/31/96/91/975319691.db2.gz AATSFDOZPKKIIP-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000427847363 975319694 /nfs/dbraw/zinc/31/96/94/975319694.db2.gz AATSFDOZPKKIIP-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222058 975544028 /nfs/dbraw/zinc/54/40/28/975544028.db2.gz SRUDDLMJHMEWBA-ZWKOTPCHSA-N 2 2 410.653 3.920 20 0 HHADLP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222058 975544036 /nfs/dbraw/zinc/54/40/36/975544036.db2.gz SRUDDLMJHMEWBA-ZWKOTPCHSA-N 2 2 410.653 3.920 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C[C@H]3CCCO3)C3CCCC3)n2)CC1 ZINC000428239895 975556187 /nfs/dbraw/zinc/55/61/87/975556187.db2.gz ACQNBVZQJHCPLM-HXUWFJFHSA-N 2 2 420.623 3.737 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C[C@H]3CCCO3)C3CCCC3)n2)CC1 ZINC000428239895 975556197 /nfs/dbraw/zinc/55/61/97/975556197.db2.gz ACQNBVZQJHCPLM-HXUWFJFHSA-N 2 2 420.623 3.737 20 0 HHADLP Clc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc2c1OCCCO2 ZINC000428538112 975836378 /nfs/dbraw/zinc/83/63/78/975836378.db2.gz NDHCJDYXOTZYAY-HXUWFJFHSA-N 2 2 416.949 3.882 20 0 HHADLP Clc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc2c1OCCCO2 ZINC000428538112 975836390 /nfs/dbraw/zinc/83/63/90/975836390.db2.gz NDHCJDYXOTZYAY-HXUWFJFHSA-N 2 2 416.949 3.882 20 0 HHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1Br ZINC000428537789 975836964 /nfs/dbraw/zinc/83/69/64/975836964.db2.gz OQNDJYFOKLINHF-QGZVFWFLSA-N 2 2 400.320 3.576 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000428547728 975855791 /nfs/dbraw/zinc/85/57/91/975855791.db2.gz YYLPCNMNJNPTBH-DQEYMECFSA-N 2 2 410.558 3.625 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000428547728 975855795 /nfs/dbraw/zinc/85/57/95/975855795.db2.gz YYLPCNMNJNPTBH-DQEYMECFSA-N 2 2 410.558 3.625 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000428632083 975935300 /nfs/dbraw/zinc/93/53/00/975935300.db2.gz RQCDELVPBMWCAB-UHFFFAOYSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000428764501 976035338 /nfs/dbraw/zinc/03/53/38/976035338.db2.gz GOPXXHMQLJUUCV-IBGZPJMESA-N 2 2 409.578 3.935 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000428764501 976035350 /nfs/dbraw/zinc/03/53/50/976035350.db2.gz GOPXXHMQLJUUCV-IBGZPJMESA-N 2 2 409.578 3.935 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428995564 976275850 /nfs/dbraw/zinc/27/58/50/976275850.db2.gz OTBGXVAPNIFZKZ-DEOSSOPVSA-N 2 2 411.594 3.922 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428995564 976275859 /nfs/dbraw/zinc/27/58/59/976275859.db2.gz OTBGXVAPNIFZKZ-DEOSSOPVSA-N 2 2 411.594 3.922 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429042189 976326767 /nfs/dbraw/zinc/32/67/67/976326767.db2.gz DFQXCIIPUFNRDE-RTWAWAEBSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429042189 976326781 /nfs/dbraw/zinc/32/67/81/976326781.db2.gz DFQXCIIPUFNRDE-RTWAWAEBSA-N 2 2 422.976 3.788 20 0 HHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429420708 976698607 /nfs/dbraw/zinc/69/86/07/976698607.db2.gz WANZFLVBOVCFLQ-REWPJTCUSA-N 2 2 409.574 3.847 20 0 HHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429420708 976698614 /nfs/dbraw/zinc/69/86/14/976698614.db2.gz WANZFLVBOVCFLQ-REWPJTCUSA-N 2 2 409.574 3.847 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H](C)C1 ZINC000429809826 977084015 /nfs/dbraw/zinc/08/40/15/977084015.db2.gz ABZDUFRYHVKNCZ-UTSGNWPNSA-N 2 2 411.615 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H](C)C1 ZINC000429809826 977084025 /nfs/dbraw/zinc/08/40/25/977084025.db2.gz ABZDUFRYHVKNCZ-UTSGNWPNSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H](C)C1 ZINC000429809826 977084034 /nfs/dbraw/zinc/08/40/34/977084034.db2.gz ABZDUFRYHVKNCZ-UTSGNWPNSA-N 2 2 411.615 3.884 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)[C@H](C)C1 ZINC000429809826 977084042 /nfs/dbraw/zinc/08/40/42/977084042.db2.gz ABZDUFRYHVKNCZ-UTSGNWPNSA-N 2 2 411.615 3.884 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000430180846 977374241 /nfs/dbraw/zinc/37/42/41/977374241.db2.gz SBIXYLHGDGAMKR-MOPGFXCFSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000430180846 977374250 /nfs/dbraw/zinc/37/42/50/977374250.db2.gz SBIXYLHGDGAMKR-MOPGFXCFSA-N 2 2 417.985 3.869 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810678 977771024 /nfs/dbraw/zinc/77/10/24/977771024.db2.gz MLHZPEYLFLFPQD-CTUHWIOQSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810678 977771031 /nfs/dbraw/zinc/77/10/31/977771031.db2.gz MLHZPEYLFLFPQD-CTUHWIOQSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810678 977771035 /nfs/dbraw/zinc/77/10/35/977771035.db2.gz MLHZPEYLFLFPQD-CTUHWIOQSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430810678 977771040 /nfs/dbraw/zinc/77/10/40/977771040.db2.gz MLHZPEYLFLFPQD-CTUHWIOQSA-N 2 2 410.558 3.614 20 0 HHADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000430817175 977774617 /nfs/dbraw/zinc/77/46/17/977774617.db2.gz QMVSEBKXBIIMHA-ZCYQVOJMSA-N 2 2 405.542 3.996 20 0 HHADLP Cc1sc(NC(=O)C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1C ZINC000430912268 977881015 /nfs/dbraw/zinc/88/10/15/977881015.db2.gz GAYBAGHOSOWUBB-UHFFFAOYSA-N 3 2 420.667 3.740 20 0 HHADLP Cc1sc(NC(=O)C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1C ZINC000430912268 977881024 /nfs/dbraw/zinc/88/10/24/977881024.db2.gz GAYBAGHOSOWUBB-UHFFFAOYSA-N 3 2 420.667 3.740 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430925681 977890734 /nfs/dbraw/zinc/89/07/34/977890734.db2.gz LYAMJKJUPNEGQR-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430925681 977890747 /nfs/dbraw/zinc/89/07/47/977890747.db2.gz LYAMJKJUPNEGQR-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933678 977898583 /nfs/dbraw/zinc/89/85/83/977898583.db2.gz LPORFZCTXPTMSM-LJQANCHMSA-N 3 2 411.594 3.926 20 0 HHADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933678 977898588 /nfs/dbraw/zinc/89/85/88/977898588.db2.gz LPORFZCTXPTMSM-LJQANCHMSA-N 3 2 411.594 3.926 20 0 HHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430951430 977910355 /nfs/dbraw/zinc/91/03/55/977910355.db2.gz LINIIZBMAUVNBF-NRFANRHFSA-N 3 2 418.670 3.510 20 0 HHADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430951430 977910357 /nfs/dbraw/zinc/91/03/57/977910357.db2.gz LINIIZBMAUVNBF-NRFANRHFSA-N 3 2 418.670 3.510 20 0 HHADLP Cc1ccccc1[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431646652 978405918 /nfs/dbraw/zinc/40/59/18/978405918.db2.gz XZXSNWOQUBMMLV-QFIPXVFZSA-N 2 2 400.611 3.940 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431874695 978568260 /nfs/dbraw/zinc/56/82/60/978568260.db2.gz FLRHHBXNIBTHPM-YADHBBJMSA-N 2 2 411.594 3.674 20 0 HHADLP COc1cc(C[NH+]2CCOC3(CCCC3)C2)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000432829022 978986816 /nfs/dbraw/zinc/98/68/16/978986816.db2.gz LOTSSDRFUFIPKW-UHFFFAOYSA-N 2 2 414.590 3.985 20 0 HHADLP COc1cc(C[NH+]2CCOC3(CCCC3)C2)cc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000432829022 978986817 /nfs/dbraw/zinc/98/68/17/978986817.db2.gz LOTSSDRFUFIPKW-UHFFFAOYSA-N 2 2 414.590 3.985 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000433177258 979119842 /nfs/dbraw/zinc/11/98/42/979119842.db2.gz DGQFXGCSDKMGHE-HVXQOBHKSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000433177258 979119846 /nfs/dbraw/zinc/11/98/46/979119846.db2.gz DGQFXGCSDKMGHE-HVXQOBHKSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177258 979119851 /nfs/dbraw/zinc/11/98/51/979119851.db2.gz DGQFXGCSDKMGHE-HVXQOBHKSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177258 979119856 /nfs/dbraw/zinc/11/98/56/979119856.db2.gz DGQFXGCSDKMGHE-HVXQOBHKSA-N 2 2 414.590 3.694 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433934273 979693304 /nfs/dbraw/zinc/69/33/04/979693304.db2.gz OPUYEMWIWMYAFU-WOJBJXKFSA-N 2 2 415.626 3.867 20 0 HHADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000434620036 980300953 /nfs/dbraw/zinc/30/09/53/980300953.db2.gz HQFOGHRNUJFGPD-XMMPIXPASA-N 2 2 413.537 3.926 20 0 HHADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000434620036 980300959 /nfs/dbraw/zinc/30/09/59/980300959.db2.gz HQFOGHRNUJFGPD-XMMPIXPASA-N 2 2 413.537 3.926 20 0 HHADLP Cc1ccc(SCCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434682173 980336405 /nfs/dbraw/zinc/33/64/05/980336405.db2.gz ATEAPCHVZRZARD-UHFFFAOYSA-N 2 2 412.603 3.616 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985851 980551141 /nfs/dbraw/zinc/55/11/41/980551141.db2.gz KXFSWHHSIJPJEO-OAHLLOKOSA-N 2 2 423.542 3.930 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000434985712 980551272 /nfs/dbraw/zinc/55/12/72/980551272.db2.gz KFQYCYFHFFCUCJ-HSZRJFAPSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000434987949 980551982 /nfs/dbraw/zinc/55/19/82/980551982.db2.gz WUMTWPYRYNZGPY-HSZRJFAPSA-N 2 2 406.555 3.825 20 0 HHADLP C[C@H](c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122883 980655753 /nfs/dbraw/zinc/65/57/53/980655753.db2.gz DCDXXVQBUIEGKV-NHCUHLMSSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122883 980655757 /nfs/dbraw/zinc/65/57/57/980655757.db2.gz DCDXXVQBUIEGKV-NHCUHLMSSA-N 2 2 422.573 3.818 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1OC ZINC000435135406 980666322 /nfs/dbraw/zinc/66/63/22/980666322.db2.gz PIGZPQTXUPXHIC-UHFFFAOYSA-N 2 2 415.538 3.550 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1OC ZINC000435135406 980666325 /nfs/dbraw/zinc/66/63/25/980666325.db2.gz PIGZPQTXUPXHIC-UHFFFAOYSA-N 2 2 415.538 3.550 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@](C)(CCc4ccccc4)C3)CC2)CC1 ZINC000435413315 980848502 /nfs/dbraw/zinc/84/85/02/980848502.db2.gz AFFVIBKVRYXIIW-VWLOTQADSA-N 2 2 412.622 3.599 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000435798071 981036314 /nfs/dbraw/zinc/03/63/14/981036314.db2.gz MARADSOFXHVRER-PKTZIBPZSA-N 2 2 414.569 3.727 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000435798071 981036319 /nfs/dbraw/zinc/03/63/19/981036319.db2.gz MARADSOFXHVRER-PKTZIBPZSA-N 2 2 414.569 3.727 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380675 981337776 /nfs/dbraw/zinc/33/77/76/981337776.db2.gz ZRVBSFXDLNHHIK-NHCUHLMSSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380675 981337780 /nfs/dbraw/zinc/33/77/80/981337780.db2.gz ZRVBSFXDLNHHIK-NHCUHLMSSA-N 2 2 422.573 3.518 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436599879 981467389 /nfs/dbraw/zinc/46/73/89/981467389.db2.gz CQOYRQUASLQWSH-GOTSBHOMSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436599879 981467392 /nfs/dbraw/zinc/46/73/92/981467392.db2.gz CQOYRQUASLQWSH-GOTSBHOMSA-N 2 2 409.574 3.955 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371253 981730468 /nfs/dbraw/zinc/73/04/68/981730468.db2.gz MJURFIRPWPIHLF-KKLQWCBXSA-N 2 2 412.578 3.560 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371253 981730472 /nfs/dbraw/zinc/73/04/72/981730472.db2.gz MJURFIRPWPIHLF-KKLQWCBXSA-N 2 2 412.578 3.560 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000460100231 981875962 /nfs/dbraw/zinc/87/59/62/981875962.db2.gz AXECFELGNLHFCC-GOSISDBHSA-N 2 2 409.456 3.510 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000460364694 982140589 /nfs/dbraw/zinc/14/05/89/982140589.db2.gz MLVOIWYMSMPPOX-YPGOJHLTSA-N 2 2 408.571 3.981 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000460364694 982140594 /nfs/dbraw/zinc/14/05/94/982140594.db2.gz MLVOIWYMSMPPOX-YPGOJHLTSA-N 2 2 408.571 3.981 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cn2c1 ZINC000437869366 982423649 /nfs/dbraw/zinc/42/36/49/982423649.db2.gz RSKNJVDZVUTEPB-FQEVSTJZSA-N 2 2 400.592 3.789 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cn2c1 ZINC000437869366 982423653 /nfs/dbraw/zinc/42/36/53/982423653.db2.gz RSKNJVDZVUTEPB-FQEVSTJZSA-N 2 2 400.592 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccccn3)cc2)([NH+]2CCCCC2)CC1 ZINC000438167747 982628144 /nfs/dbraw/zinc/62/81/44/982628144.db2.gz RPUJLXWDOYYBRY-UHFFFAOYSA-N 2 2 423.561 3.946 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460989473 982711044 /nfs/dbraw/zinc/71/10/44/982711044.db2.gz SCUJZFDGEKFXOI-DEOSSOPVSA-N 2 2 407.602 3.887 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460989473 982711047 /nfs/dbraw/zinc/71/10/47/982711047.db2.gz SCUJZFDGEKFXOI-DEOSSOPVSA-N 2 2 407.602 3.887 20 0 HHADLP C[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438335380 982730012 /nfs/dbraw/zinc/73/00/12/982730012.db2.gz PPHVDDMDDGMHOT-QFIPXVFZSA-N 2 2 421.507 3.643 20 0 HHADLP C[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438335380 982730015 /nfs/dbraw/zinc/73/00/15/982730015.db2.gz PPHVDDMDDGMHOT-QFIPXVFZSA-N 2 2 421.507 3.643 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000461392059 983065305 /nfs/dbraw/zinc/06/53/05/983065305.db2.gz VOYWHCJZZWWZGZ-KRWDZBQOSA-N 2 2 404.580 3.610 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000461392059 983065308 /nfs/dbraw/zinc/06/53/08/983065308.db2.gz VOYWHCJZZWWZGZ-KRWDZBQOSA-N 2 2 404.580 3.610 20 0 HHADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439076168 983238789 /nfs/dbraw/zinc/23/87/89/983238789.db2.gz HJRPEKCACMWLKE-IBGZPJMESA-N 2 2 424.589 3.642 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574111 983456720 /nfs/dbraw/zinc/45/67/20/983456720.db2.gz QIVCPRGJUURCAS-VAMGGRTRSA-N 2 2 404.562 3.991 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000439613082 983471197 /nfs/dbraw/zinc/47/11/97/983471197.db2.gz VVDGOJIZDOFORI-SFHVURJKSA-N 2 2 402.502 3.738 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nnnn1-c1ccccc1 ZINC000439613082 983471201 /nfs/dbraw/zinc/47/12/01/983471201.db2.gz VVDGOJIZDOFORI-SFHVURJKSA-N 2 2 402.502 3.738 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000439730443 983517690 /nfs/dbraw/zinc/51/76/90/983517690.db2.gz KCLXMPSOBBXYOS-AUSIDOKSSA-N 2 2 424.614 3.513 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955589 983593868 /nfs/dbraw/zinc/59/38/68/983593868.db2.gz JPCBSEYRFHADRT-MBOZVWFJSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955589 983593870 /nfs/dbraw/zinc/59/38/70/983593870.db2.gz JPCBSEYRFHADRT-MBOZVWFJSA-N 2 2 420.479 3.664 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)CC2)CC1 ZINC000440164969 983666662 /nfs/dbraw/zinc/66/66/62/983666662.db2.gz QKYOSVKUKODXQG-SANMLTNESA-N 2 2 424.633 3.625 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ncc(-c3ccccc3)s2)([NH+]2CCCCC2)CC1 ZINC000440713271 983864947 /nfs/dbraw/zinc/86/49/47/983864947.db2.gz OBVCINHSVHKNOX-UHFFFAOYSA-N 2 2 413.591 3.882 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)c1 ZINC000440866554 983942424 /nfs/dbraw/zinc/94/24/24/983942424.db2.gz ZMBUKHXLYXYSPK-HSZRJFAPSA-N 2 2 423.536 3.812 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(C)c1 ZINC000440866554 983942428 /nfs/dbraw/zinc/94/24/28/983942428.db2.gz ZMBUKHXLYXYSPK-HSZRJFAPSA-N 2 2 423.536 3.812 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876603 983947115 /nfs/dbraw/zinc/94/71/15/983947115.db2.gz RLPSNZDEIQBAIS-JTHBVZDNSA-N 2 2 409.578 3.805 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876603 983947122 /nfs/dbraw/zinc/94/71/22/983947122.db2.gz RLPSNZDEIQBAIS-JTHBVZDNSA-N 2 2 409.578 3.805 20 0 HHADLP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000441044401 984040719 /nfs/dbraw/zinc/04/07/19/984040719.db2.gz JLNGDAKGJHGSGJ-XUZZJYLKSA-N 2 2 414.638 3.523 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000441169028 984099194 /nfs/dbraw/zinc/09/91/94/984099194.db2.gz BDZXYTOFIFPYIK-INIZCTEOSA-N 2 2 421.607 3.622 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441364147 984209545 /nfs/dbraw/zinc/20/95/45/984209545.db2.gz LPLRXSDUERRTEC-GHTZIAJQSA-N 2 2 422.529 3.875 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441380266 984220318 /nfs/dbraw/zinc/22/03/18/984220318.db2.gz FPSUZYMFACPJHO-AVRDEDQJSA-N 2 2 422.529 3.875 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)c(C)c1 ZINC000441382310 984221123 /nfs/dbraw/zinc/22/11/23/984221123.db2.gz TYSREVIFCNLKFG-WIYYLYMNSA-N 2 2 408.571 3.866 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408151 984236568 /nfs/dbraw/zinc/23/65/68/984236568.db2.gz WGYPUZKHIBAVMY-QFBILLFUSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408151 984236575 /nfs/dbraw/zinc/23/65/75/984236575.db2.gz WGYPUZKHIBAVMY-QFBILLFUSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408151 984236579 /nfs/dbraw/zinc/23/65/79/984236579.db2.gz WGYPUZKHIBAVMY-QFBILLFUSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408151 984236583 /nfs/dbraw/zinc/23/65/83/984236583.db2.gz WGYPUZKHIBAVMY-QFBILLFUSA-N 2 2 410.389 3.601 20 0 HHADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000441889824 984521140 /nfs/dbraw/zinc/52/11/40/984521140.db2.gz PYZAAXJXHZMJQS-LJQANCHMSA-N 2 2 411.303 3.954 20 0 HHADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000441889824 984521144 /nfs/dbraw/zinc/52/11/44/984521144.db2.gz PYZAAXJXHZMJQS-LJQANCHMSA-N 2 2 411.303 3.954 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(C)c1 ZINC000442233897 984754085 /nfs/dbraw/zinc/75/40/85/984754085.db2.gz GJUGDTVHKRVBNT-JOCHJYFZSA-N 2 2 420.561 3.639 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461792567 984781520 /nfs/dbraw/zinc/78/15/20/984781520.db2.gz WLYUHENDCUHGHW-GOSISDBHSA-N 2 2 413.537 3.768 20 0 HHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461979897 984964329 /nfs/dbraw/zinc/96/43/29/984964329.db2.gz ASNBVICNJOTOIZ-BGYRXZFFSA-N 2 2 404.599 3.882 20 0 HHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461979897 984964337 /nfs/dbraw/zinc/96/43/37/984964337.db2.gz ASNBVICNJOTOIZ-BGYRXZFFSA-N 2 2 404.599 3.882 20 0 HHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000462109705 985080448 /nfs/dbraw/zinc/08/04/48/985080448.db2.gz QVHBRTXQCQOQEA-DEOSSOPVSA-N 2 2 400.526 3.570 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000462195649 985178967 /nfs/dbraw/zinc/17/89/67/985178967.db2.gz MDRCYFDGMVDVNG-MRXNPFEDSA-N 2 2 404.555 3.537 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792472 985217406 /nfs/dbraw/zinc/21/74/06/985217406.db2.gz MKVKHLXNKPFLGI-RLLQIKCJSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442792472 985217412 /nfs/dbraw/zinc/21/74/12/985217412.db2.gz MKVKHLXNKPFLGI-RLLQIKCJSA-N 2 2 411.512 3.874 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255934 985240864 /nfs/dbraw/zinc/24/08/64/985240864.db2.gz RXJWQRYXJHRFEW-REHUZNOOSA-N 2 2 422.573 3.722 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443070078 985361179 /nfs/dbraw/zinc/36/11/79/985361179.db2.gz QHWKZQYGEXXJHS-LJQANCHMSA-N 2 2 405.546 3.681 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443070078 985361193 /nfs/dbraw/zinc/36/11/93/985361193.db2.gz QHWKZQYGEXXJHS-LJQANCHMSA-N 2 2 405.546 3.681 20 0 HHADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000462726697 985673847 /nfs/dbraw/zinc/67/38/47/985673847.db2.gz KOZGHMBSOGDQLQ-LJQANCHMSA-N 2 2 409.755 3.829 20 0 HHADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000462726697 985673850 /nfs/dbraw/zinc/67/38/50/985673850.db2.gz KOZGHMBSOGDQLQ-LJQANCHMSA-N 2 2 409.755 3.829 20 0 HHADLP CC(C)C[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021911 985675703 /nfs/dbraw/zinc/67/57/03/985675703.db2.gz LXGPWYORPOSGFE-RBBKRZOGSA-N 2 2 409.578 3.679 20 0 HHADLP COc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000463136185 986103185 /nfs/dbraw/zinc/10/31/85/986103185.db2.gz CKLZPZJXQPIUDR-UHFFFAOYSA-N 2 2 402.510 3.648 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468413351 986112664 /nfs/dbraw/zinc/11/26/64/986112664.db2.gz UVAWXXQEQMENQB-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468413351 986112665 /nfs/dbraw/zinc/11/26/65/986112665.db2.gz UVAWXXQEQMENQB-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468413352 986112677 /nfs/dbraw/zinc/11/26/77/986112677.db2.gz UVAWXXQEQMENQB-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468413352 986112679 /nfs/dbraw/zinc/11/26/79/986112679.db2.gz UVAWXXQEQMENQB-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000444136896 986326268 /nfs/dbraw/zinc/32/62/68/986326268.db2.gz YWOJZDYIAMCSCQ-GOSISDBHSA-N 2 2 405.546 3.537 20 0 HHADLP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000444136896 986326284 /nfs/dbraw/zinc/32/62/84/986326284.db2.gz YWOJZDYIAMCSCQ-GOSISDBHSA-N 2 2 405.546 3.537 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444192512 986369759 /nfs/dbraw/zinc/36/97/59/986369759.db2.gz JSBCZHLIQXTPRQ-HKUYNNGSSA-N 2 2 422.411 3.604 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444192512 986369769 /nfs/dbraw/zinc/36/97/69/986369769.db2.gz JSBCZHLIQXTPRQ-HKUYNNGSSA-N 2 2 422.411 3.604 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000444194880 986372378 /nfs/dbraw/zinc/37/23/78/986372378.db2.gz JXCGKTQWSZWPMK-JOCHJYFZSA-N 2 2 409.578 3.885 20 0 HHADLP COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC2)cc1 ZINC000468702578 986415287 /nfs/dbraw/zinc/41/52/87/986415287.db2.gz CCXXLHIZZYEUHK-UHFFFAOYSA-N 2 2 418.541 3.831 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000468762838 986476645 /nfs/dbraw/zinc/47/66/45/986476645.db2.gz APUORKZMLVDYDQ-OAHLLOKOSA-N 2 2 407.967 3.913 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000444334214 986511399 /nfs/dbraw/zinc/51/13/99/986511399.db2.gz AMHXEYFQMHZIGI-OPAMFIHVSA-N 2 2 409.509 3.983 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000444345529 986526770 /nfs/dbraw/zinc/52/67/70/986526770.db2.gz RXUAPBJQNRVGBA-JTSKRJEESA-N 2 2 421.545 3.852 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)c1 ZINC000468817324 986526996 /nfs/dbraw/zinc/52/69/96/986526996.db2.gz CVQBJJFZKZBRBQ-IBGZPJMESA-N 2 2 416.525 3.775 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)s1 ZINC000468927147 986633628 /nfs/dbraw/zinc/63/36/28/986633628.db2.gz LGYSFIVXRPVQBZ-UHFFFAOYSA-N 2 2 406.555 3.829 20 0 HHADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCO1 ZINC000463686476 986669331 /nfs/dbraw/zinc/66/93/31/986669331.db2.gz OQUOYDUPJFQUNU-GOSISDBHSA-N 2 2 411.550 3.509 20 0 HHADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCO1 ZINC000463686476 986669337 /nfs/dbraw/zinc/66/93/37/986669337.db2.gz OQUOYDUPJFQUNU-GOSISDBHSA-N 2 2 411.550 3.509 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+]2CCCC2)o1 ZINC000469099823 986815049 /nfs/dbraw/zinc/81/50/49/986815049.db2.gz YONFDKWRBFGOPV-QGZVFWFLSA-N 2 2 415.444 3.673 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000445214008 987281298 /nfs/dbraw/zinc/28/12/98/987281298.db2.gz AMTALFLGGZLAGT-CEMLEFRQSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000445214008 987281303 /nfs/dbraw/zinc/28/13/03/987281303.db2.gz AMTALFLGGZLAGT-CEMLEFRQSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000469766602 987419511 /nfs/dbraw/zinc/41/95/11/987419511.db2.gz CWOZVQHSPISWNI-WOJBJXKFSA-N 2 2 400.588 3.597 20 0 HHADLP Cc1ccc(S(=O)(=O)CCC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469768637 987420858 /nfs/dbraw/zinc/42/08/58/987420858.db2.gz LEXOGYLBXJZGGM-RMNGQBEXSA-N 2 2 414.615 3.905 20 0 HHADLP Cc1ccc(S(=O)(=O)CCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469768637 987420862 /nfs/dbraw/zinc/42/08/62/987420862.db2.gz LEXOGYLBXJZGGM-RMNGQBEXSA-N 2 2 414.615 3.905 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000469783462 987430170 /nfs/dbraw/zinc/43/01/70/987430170.db2.gz NMGQXFIUAYFEPL-DOADOZAASA-N 2 2 401.580 3.620 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000469783462 987430174 /nfs/dbraw/zinc/43/01/74/987430174.db2.gz NMGQXFIUAYFEPL-DOADOZAASA-N 2 2 401.580 3.620 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469787147 987432068 /nfs/dbraw/zinc/43/20/68/987432068.db2.gz RWBKRZCCNGTVDN-HNAYVOBHSA-N 2 2 405.420 3.982 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469838546 987473473 /nfs/dbraw/zinc/47/34/73/987473473.db2.gz MXCMOALGKFBFKE-QMMLZNLJSA-N 2 2 415.969 3.966 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000469839984 987474861 /nfs/dbraw/zinc/47/48/61/987474861.db2.gz CNWAKOTXDMPCBV-DYESRHJHSA-N 2 2 415.969 3.794 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000470288965 988247045 /nfs/dbraw/zinc/24/70/45/988247045.db2.gz VEIGJEHDLZZTAJ-WBVHZDCISA-N 2 2 409.456 3.620 20 0 HHADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)cc1F ZINC000470635160 988648909 /nfs/dbraw/zinc/64/89/09/988648909.db2.gz ILGWADOIVDAWMK-PMACEKPBSA-N 2 2 422.520 3.591 20 0 HHADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(F)cc1F ZINC000470635160 988648915 /nfs/dbraw/zinc/64/89/15/988648915.db2.gz ILGWADOIVDAWMK-PMACEKPBSA-N 2 2 422.520 3.591 20 0 HHADLP CCCCOC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000464850640 989102467 /nfs/dbraw/zinc/10/24/67/989102467.db2.gz MUWZUBWLUUOLQB-UHFFFAOYSA-N 2 2 423.601 3.765 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860704 989115483 /nfs/dbraw/zinc/11/54/83/989115483.db2.gz ZLJWNUJHVMEAJW-VWPQPMDRSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860704 989115489 /nfs/dbraw/zinc/11/54/89/989115489.db2.gz ZLJWNUJHVMEAJW-VWPQPMDRSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860704 989115492 /nfs/dbraw/zinc/11/54/92/989115492.db2.gz ZLJWNUJHVMEAJW-VWPQPMDRSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860704 989115496 /nfs/dbraw/zinc/11/54/96/989115496.db2.gz ZLJWNUJHVMEAJW-VWPQPMDRSA-N 2 2 409.574 3.715 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098502 989195787 /nfs/dbraw/zinc/19/57/87/989195787.db2.gz FLWLQMMPTWXLNC-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098502 989195791 /nfs/dbraw/zinc/19/57/91/989195791.db2.gz FLWLQMMPTWXLNC-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151452 989265941 /nfs/dbraw/zinc/26/59/41/989265941.db2.gz MZABKZQFLULROY-UNMCSNQZSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151452 989265953 /nfs/dbraw/zinc/26/59/53/989265953.db2.gz MZABKZQFLULROY-UNMCSNQZSA-N 2 2 422.573 3.518 20 0 HHADLP C[N@H+](CCCc1nc(-c2cccs2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471178381 989308044 /nfs/dbraw/zinc/30/80/44/989308044.db2.gz RHTWMWSXUVRZCQ-UHFFFAOYSA-N 2 2 411.575 3.765 20 0 HHADLP C[N@@H+](CCCc1nc(-c2cccs2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471178381 989308055 /nfs/dbraw/zinc/30/80/55/989308055.db2.gz RHTWMWSXUVRZCQ-UHFFFAOYSA-N 2 2 411.575 3.765 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230688 989374480 /nfs/dbraw/zinc/37/44/80/989374480.db2.gz VPJKZYLZHJKZKM-OXJNMPFZSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230688 989374493 /nfs/dbraw/zinc/37/44/93/989374493.db2.gz VPJKZYLZHJKZKM-OXJNMPFZSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230688 989374502 /nfs/dbraw/zinc/37/45/02/989374502.db2.gz VPJKZYLZHJKZKM-OXJNMPFZSA-N 2 2 403.954 3.878 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000471230688 989374517 /nfs/dbraw/zinc/37/45/17/989374517.db2.gz VPJKZYLZHJKZKM-OXJNMPFZSA-N 2 2 403.954 3.878 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000465525529 989882609 /nfs/dbraw/zinc/88/26/09/989882609.db2.gz XQXAANPUHNVYTK-IFMALSPDSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000465525529 989882614 /nfs/dbraw/zinc/88/26/14/989882614.db2.gz XQXAANPUHNVYTK-IFMALSPDSA-N 2 2 423.586 3.875 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccco2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465592227 989970218 /nfs/dbraw/zinc/97/02/18/989970218.db2.gz GYHMKZNKHJPXIS-QFIPXVFZSA-N 2 2 410.562 3.619 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000465605835 989988787 /nfs/dbraw/zinc/98/87/87/989988787.db2.gz RKASTADSQYOJOL-UHFFFAOYSA-N 2 2 415.626 3.842 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000465620260 990005271 /nfs/dbraw/zinc/00/52/71/990005271.db2.gz BSSPZOSMRMMQHF-IRLDBZIGSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000465620260 990005282 /nfs/dbraw/zinc/00/52/82/990005282.db2.gz BSSPZOSMRMMQHF-IRLDBZIGSA-N 2 2 423.586 3.875 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465737432 990122798 /nfs/dbraw/zinc/12/27/98/990122798.db2.gz NDTNQTXCRSOJPD-OAQYLSRUSA-N 2 2 403.530 3.536 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465737432 990122803 /nfs/dbraw/zinc/12/28/03/990122803.db2.gz NDTNQTXCRSOJPD-OAQYLSRUSA-N 2 2 403.530 3.536 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471965036 990131304 /nfs/dbraw/zinc/13/13/04/990131304.db2.gz QEZKOWMXTQBNGL-NHCUHLMSSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471965036 990131307 /nfs/dbraw/zinc/13/13/07/990131307.db2.gz QEZKOWMXTQBNGL-NHCUHLMSSA-N 2 2 402.489 3.636 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000465762262 990147740 /nfs/dbraw/zinc/14/77/40/990147740.db2.gz YKQRAXVTXCLKGZ-GHTZIAJQSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000465762262 990147746 /nfs/dbraw/zinc/14/77/46/990147746.db2.gz YKQRAXVTXCLKGZ-GHTZIAJQSA-N 2 2 409.559 3.816 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000472008026 990176440 /nfs/dbraw/zinc/17/64/40/990176440.db2.gz GRRBYQOMCYVZOA-IFMALSPDSA-N 2 2 416.585 3.711 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+]2CCCC2)cc1 ZINC000465803239 990185634 /nfs/dbraw/zinc/18/56/34/990185634.db2.gz CBEQILWGAAZLDX-HSZRJFAPSA-N 2 2 421.589 3.804 20 0 HHADLP Cc1ccccc1C(C)(C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465804366 990186432 /nfs/dbraw/zinc/18/64/32/990186432.db2.gz FQCFELMFJRHDBZ-UHFFFAOYSA-N 2 2 400.611 3.522 20 0 HHADLP C[C@@H]1C[C@H]1[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819689 990203029 /nfs/dbraw/zinc/20/30/29/990203029.db2.gz WARPVXHSEHAGAQ-NPFVIJTESA-N 2 2 419.013 3.895 20 0 HHADLP CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465827128 990210885 /nfs/dbraw/zinc/21/08/85/990210885.db2.gz UQUXLUNTBLACNR-HSZRJFAPSA-N 2 2 414.638 3.906 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882855 991003190 /nfs/dbraw/zinc/00/31/90/991003190.db2.gz XTDRRSQEIQORAU-MOPGFXCFSA-N 2 2 410.965 3.569 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465882855 991003194 /nfs/dbraw/zinc/00/31/94/991003194.db2.gz XTDRRSQEIQORAU-MOPGFXCFSA-N 2 2 410.965 3.569 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000465903380 991031751 /nfs/dbraw/zinc/03/17/51/991031751.db2.gz PQIOIVVCBOCNGK-HSZRJFAPSA-N 2 2 417.557 3.882 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000465903380 991031757 /nfs/dbraw/zinc/03/17/57/991031757.db2.gz PQIOIVVCBOCNGK-HSZRJFAPSA-N 2 2 417.557 3.882 20 0 HHADLP COc1cccc(-c2ccc(CNC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000466132092 991312649 /nfs/dbraw/zinc/31/26/49/991312649.db2.gz SFXIKMZVJKUKGU-UHFFFAOYSA-N 2 2 424.589 3.530 20 0 HHADLP COc1cccc(-c2ccc(CNC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000466132092 991312659 /nfs/dbraw/zinc/31/26/59/991312659.db2.gz SFXIKMZVJKUKGU-UHFFFAOYSA-N 2 2 424.589 3.530 20 0 HHADLP Cc1ccc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000466134791 991314634 /nfs/dbraw/zinc/31/46/34/991314634.db2.gz AQNVJFVNDNLBPZ-IBGZPJMESA-N 2 2 404.624 3.853 20 0 HHADLP C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136294 991316479 /nfs/dbraw/zinc/31/64/79/991316479.db2.gz XWDWZXQMOQXFBD-CZAAIQMYSA-N 2 2 407.002 3.705 20 0 HHADLP C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136294 991316489 /nfs/dbraw/zinc/31/64/89/991316489.db2.gz XWDWZXQMOQXFBD-CZAAIQMYSA-N 2 2 407.002 3.705 20 0 HHADLP Cc1ccc(C[C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466142757 991324845 /nfs/dbraw/zinc/32/48/45/991324845.db2.gz IAYFGFNEDRTZON-HSZRJFAPSA-N 2 2 412.622 3.662 20 0 HHADLP CC(C)CN(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466150712 991335365 /nfs/dbraw/zinc/33/53/65/991335365.db2.gz WYPLDXHRZNWSNM-UHFFFAOYSA-N 2 2 400.611 3.805 20 0 HHADLP C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154275 991340946 /nfs/dbraw/zinc/34/09/46/991340946.db2.gz OOVHCGNBWURAMM-KRWDZBQOSA-N 2 2 408.537 3.618 20 0 HHADLP CCc1nc(C)c([C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000466155973 991342893 /nfs/dbraw/zinc/34/28/93/991342893.db2.gz ZPBJRRILBWYBJB-GOSISDBHSA-N 2 2 421.655 3.667 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467157141 992475267 /nfs/dbraw/zinc/47/52/67/992475267.db2.gz FAIVJTAEBWWTHZ-OAHLLOKOSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000467485312 992773867 /nfs/dbraw/zinc/77/38/67/992773867.db2.gz NOGAYMREXHTLJN-FPOVZHCZSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000467485312 992773874 /nfs/dbraw/zinc/77/38/74/992773874.db2.gz NOGAYMREXHTLJN-FPOVZHCZSA-N 2 2 419.529 3.747 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000467615678 992881170 /nfs/dbraw/zinc/88/11/70/992881170.db2.gz WMPKYHWEVRTDTR-MPJJRAAHSA-N 2 2 414.594 3.775 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000467615678 992881174 /nfs/dbraw/zinc/88/11/74/992881174.db2.gz WMPKYHWEVRTDTR-MPJJRAAHSA-N 2 2 414.594 3.775 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000467751566 992997606 /nfs/dbraw/zinc/99/76/06/992997606.db2.gz HHWYWPFLCLYIKU-FGZHOGPDSA-N 2 2 403.954 3.764 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000467751566 992997615 /nfs/dbraw/zinc/99/76/15/992997615.db2.gz HHWYWPFLCLYIKU-FGZHOGPDSA-N 2 2 403.954 3.764 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296068 993310109 /nfs/dbraw/zinc/31/01/09/993310109.db2.gz TYVGRZJLVSWDSL-LSDHHAIUSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296068 993310115 /nfs/dbraw/zinc/31/01/15/993310115.db2.gz TYVGRZJLVSWDSL-LSDHHAIUSA-N 2 2 402.366 3.753 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472520348 993512071 /nfs/dbraw/zinc/51/20/71/993512071.db2.gz PJCDDZLZJCPONA-RPWUZVMVSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1ccc2ncccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472520348 993512078 /nfs/dbraw/zinc/51/20/78/993512078.db2.gz PJCDDZLZJCPONA-RPWUZVMVSA-N 2 2 423.605 3.713 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000480782857 993649422 /nfs/dbraw/zinc/64/94/22/993649422.db2.gz VFQWTAQTJLCJPA-SFHVURJKSA-N 2 2 407.345 3.787 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480907882 993763964 /nfs/dbraw/zinc/76/39/64/993763964.db2.gz MHMXMSHXBLLRRJ-SFHVURJKSA-N 2 2 400.486 3.558 20 0 HHADLP CC(C)C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000480907386 993764097 /nfs/dbraw/zinc/76/40/97/993764097.db2.gz ZOVIJIPOYWXZAO-QHCPKHFHSA-N 2 2 410.562 3.619 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1Cl ZINC000480923187 993775978 /nfs/dbraw/zinc/77/59/78/993775978.db2.gz YJZIGOWNTUBORH-QGZVFWFLSA-N 2 2 417.981 3.955 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Cl ZINC000480923187 993775985 /nfs/dbraw/zinc/77/59/85/993775985.db2.gz YJZIGOWNTUBORH-QGZVFWFLSA-N 2 2 417.981 3.955 20 0 HHADLP COc1ccccc1[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCCCC1 ZINC000481175086 994005886 /nfs/dbraw/zinc/00/58/86/994005886.db2.gz LRPRZSZZLQCFKI-DEOSSOPVSA-N 2 2 408.590 3.871 20 0 HHADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000481185609 994017492 /nfs/dbraw/zinc/01/74/92/994017492.db2.gz DFHKIWIAQHHKSD-SFHVURJKSA-N 2 2 401.576 3.584 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189284 994021309 /nfs/dbraw/zinc/02/13/09/994021309.db2.gz MAXVRWZFSWIUGJ-JXFKEZNVSA-N 2 2 403.473 3.727 20 0 HHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000481190341 994022211 /nfs/dbraw/zinc/02/22/11/994022211.db2.gz LKQZLWXDNANYGW-HXUWFJFHSA-N 2 2 402.535 3.863 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190309 994022347 /nfs/dbraw/zinc/02/23/47/994022347.db2.gz LGOUMMFBBBUPLH-JMLVVXIZSA-N 2 2 409.618 3.960 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481190309 994022357 /nfs/dbraw/zinc/02/23/57/994022357.db2.gz LGOUMMFBBBUPLH-JMLVVXIZSA-N 2 2 409.618 3.960 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481202396 994036182 /nfs/dbraw/zinc/03/61/82/994036182.db2.gz SJSMEIAJILQDNK-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481202396 994036189 /nfs/dbraw/zinc/03/61/89/994036189.db2.gz SJSMEIAJILQDNK-LQWHRVPQSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481202393 994036363 /nfs/dbraw/zinc/03/63/63/994036363.db2.gz SJSMEIAJILQDNK-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481202393 994036372 /nfs/dbraw/zinc/03/63/72/994036372.db2.gz SJSMEIAJILQDNK-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000481244379 994071763 /nfs/dbraw/zinc/07/17/63/994071763.db2.gz ASEJWGCXDOJIOO-QGZVFWFLSA-N 2 2 424.980 3.832 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000481245193 994072325 /nfs/dbraw/zinc/07/23/25/994072325.db2.gz FLZOONVFDHRVBP-HXUWFJFHSA-N 2 2 418.589 3.795 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000481312570 994129576 /nfs/dbraw/zinc/12/95/76/994129576.db2.gz MDWBNUMVTXEMPH-KRWDZBQOSA-N 2 2 411.937 3.604 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321915 994141255 /nfs/dbraw/zinc/14/12/55/994141255.db2.gz YOQXJXQYJVHTLQ-PBBNMVCDSA-N 2 2 413.631 3.673 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000481640452 994505375 /nfs/dbraw/zinc/50/53/75/994505375.db2.gz KELQLBJQEQGFLX-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000481640452 994505384 /nfs/dbraw/zinc/50/53/84/994505384.db2.gz KELQLBJQEQGFLX-UHFFFAOYSA-N 2 2 406.880 3.849 20 0 HHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)CC1 ZINC000481910368 994782793 /nfs/dbraw/zinc/78/27/93/994782793.db2.gz MHIFDUULDNUTPS-UHFFFAOYSA-N 2 2 416.518 3.570 20 0 HHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)CC1 ZINC000481910368 994782801 /nfs/dbraw/zinc/78/28/01/994782801.db2.gz MHIFDUULDNUTPS-UHFFFAOYSA-N 2 2 416.518 3.570 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000481932941 994804283 /nfs/dbraw/zinc/80/42/83/994804283.db2.gz FAHRPOMLKSWTHI-DZFGPLHGSA-N 2 2 414.981 3.823 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000481932941 994804292 /nfs/dbraw/zinc/80/42/92/994804292.db2.gz FAHRPOMLKSWTHI-DZFGPLHGSA-N 2 2 414.981 3.823 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000473875771 994819642 /nfs/dbraw/zinc/81/96/42/994819642.db2.gz LXZVHNYFGBQSKG-GZOXUSKESA-N 2 2 421.589 3.638 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000473875771 994819656 /nfs/dbraw/zinc/81/96/56/994819656.db2.gz LXZVHNYFGBQSKG-GZOXUSKESA-N 2 2 421.589 3.638 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482023719 994937698 /nfs/dbraw/zinc/93/76/98/994937698.db2.gz BOYZOFUIULTYLT-APWZRJJASA-N 2 2 400.592 3.712 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482023719 994937712 /nfs/dbraw/zinc/93/77/12/994937712.db2.gz BOYZOFUIULTYLT-APWZRJJASA-N 2 2 400.592 3.712 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000482032012 994949140 /nfs/dbraw/zinc/94/91/40/994949140.db2.gz GLBKLUNPEKALOP-OXJNMPFZSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000482032012 994949153 /nfs/dbraw/zinc/94/91/53/994949153.db2.gz GLBKLUNPEKALOP-OXJNMPFZSA-N 2 2 400.954 3.872 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000482053006 994979679 /nfs/dbraw/zinc/97/96/79/994979679.db2.gz IKBNBTIOXFMHFJ-GOSISDBHSA-N 2 2 420.513 3.881 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000474052120 995041552 /nfs/dbraw/zinc/04/15/52/995041552.db2.gz AJRKFFPGCKTGDC-GZOXUSKESA-N 2 2 417.557 3.828 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000474052120 995041570 /nfs/dbraw/zinc/04/15/70/995041570.db2.gz AJRKFFPGCKTGDC-GZOXUSKESA-N 2 2 417.557 3.828 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000482140212 995090247 /nfs/dbraw/zinc/09/02/47/995090247.db2.gz GTJPEWUIRUFDQK-RYRKJORJSA-N 2 2 415.500 3.759 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000482140212 995090256 /nfs/dbraw/zinc/09/02/56/995090256.db2.gz GTJPEWUIRUFDQK-RYRKJORJSA-N 2 2 415.500 3.759 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)sc1Cl ZINC000482142150 995093414 /nfs/dbraw/zinc/09/34/14/995093414.db2.gz ZXPHUDLBYMKMLO-CYBMUJFWSA-N 2 2 413.374 3.839 20 0 HHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482247667 995228245 /nfs/dbraw/zinc/22/82/45/995228245.db2.gz WIZBXAMXXHJYPI-LJQANCHMSA-N 2 2 416.591 3.799 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000482258182 995236575 /nfs/dbraw/zinc/23/65/75/995236575.db2.gz PTDIZQRLKYRVSE-OAHLLOKOSA-N 2 2 419.928 3.868 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000474393963 995366808 /nfs/dbraw/zinc/36/68/08/995366808.db2.gz RVNUMSCMODXMDC-UHFFFAOYSA-N 2 2 412.484 3.925 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1cccc(OC)c1 ZINC000474432774 995394733 /nfs/dbraw/zinc/39/47/33/995394733.db2.gz LDGVFIGSVIZWEA-XMSQKQJNSA-N 2 2 412.578 3.846 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1cccc(OC)c1 ZINC000474432774 995394740 /nfs/dbraw/zinc/39/47/40/995394740.db2.gz LDGVFIGSVIZWEA-XMSQKQJNSA-N 2 2 412.578 3.846 20 0 HHADLP Cn1c[nH+]cc1CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000474583236 995542808 /nfs/dbraw/zinc/54/28/08/995542808.db2.gz DKVPYBWZZUOQAO-UHFFFAOYSA-N 2 2 402.542 3.932 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474613460 995566603 /nfs/dbraw/zinc/56/66/03/995566603.db2.gz SCHAFOLPTUCTFX-ROUUACIJSA-N 2 2 423.586 3.512 20 0 HHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000482625483 995620327 /nfs/dbraw/zinc/62/03/27/995620327.db2.gz AUJOMOFNPUUAMD-UHFFFAOYSA-N 2 2 405.502 3.534 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719732 995705523 /nfs/dbraw/zinc/70/55/23/995705523.db2.gz UMEKMKFGPVQJLI-FYYLOGMGSA-N 2 2 414.638 3.695 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719732 995705531 /nfs/dbraw/zinc/70/55/31/995705531.db2.gz UMEKMKFGPVQJLI-FYYLOGMGSA-N 2 2 414.638 3.695 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000474809403 995719250 /nfs/dbraw/zinc/71/92/50/995719250.db2.gz DCXLUSIJDWKSEP-QFIPXVFZSA-N 2 2 410.537 3.669 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000474809403 995719253 /nfs/dbraw/zinc/71/92/53/995719253.db2.gz DCXLUSIJDWKSEP-QFIPXVFZSA-N 2 2 410.537 3.669 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000474905022 995791452 /nfs/dbraw/zinc/79/14/52/995791452.db2.gz DWRLWPQHKSSUFI-UHFFFAOYSA-N 2 2 416.472 3.982 20 0 HHADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482883976 995816294 /nfs/dbraw/zinc/81/62/94/995816294.db2.gz DIXFZHPOETVQFZ-KGLIPLIRSA-N 2 2 408.436 3.633 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885206 995817231 /nfs/dbraw/zinc/81/72/31/995817231.db2.gz DOTGZFFCKNIUIJ-DRMXPCRNSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885206 995817234 /nfs/dbraw/zinc/81/72/34/995817234.db2.gz DOTGZFFCKNIUIJ-DRMXPCRNSA-N 2 2 414.544 3.824 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H](F)CN3Cc3cccs3)sc2C1 ZINC000475049640 995891132 /nfs/dbraw/zinc/89/11/32/995891132.db2.gz QUCXQEZEWJAUGL-HOTGVXAUSA-N 2 2 408.612 3.673 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@H](F)CN3Cc3cccs3)sc2C1 ZINC000475049640 995891137 /nfs/dbraw/zinc/89/11/37/995891137.db2.gz QUCXQEZEWJAUGL-HOTGVXAUSA-N 2 2 408.612 3.673 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000475110395 995928736 /nfs/dbraw/zinc/92/87/36/995928736.db2.gz ODIVWEABUYDZLE-UHFFFAOYSA-N 2 2 404.505 3.738 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000475110395 995928741 /nfs/dbraw/zinc/92/87/41/995928741.db2.gz ODIVWEABUYDZLE-UHFFFAOYSA-N 2 2 404.505 3.738 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483202199 996035248 /nfs/dbraw/zinc/03/52/48/996035248.db2.gz SRWRHAGGEYHEAV-LJQANCHMSA-N 2 2 420.561 3.916 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483202199 996035260 /nfs/dbraw/zinc/03/52/60/996035260.db2.gz SRWRHAGGEYHEAV-LJQANCHMSA-N 2 2 420.561 3.916 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475283272 996044047 /nfs/dbraw/zinc/04/40/47/996044047.db2.gz IDPCDVZYKLRQHX-NRFANRHFSA-N 2 2 418.541 3.661 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475283272 996044051 /nfs/dbraw/zinc/04/40/51/996044051.db2.gz IDPCDVZYKLRQHX-NRFANRHFSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475333387 996074729 /nfs/dbraw/zinc/07/47/29/996074729.db2.gz IPWIEBXZIUOIEW-TZYSRNFLSA-N 2 2 401.448 3.938 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475346660 996081818 /nfs/dbraw/zinc/08/18/18/996081818.db2.gz OUMVWWLDBPDBMC-UHFFFAOYSA-N 3 2 424.555 3.723 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475488698 996173164 /nfs/dbraw/zinc/17/31/64/996173164.db2.gz WWKHEENHXFJMER-DHIUTWEWSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475488698 996173169 /nfs/dbraw/zinc/17/31/69/996173169.db2.gz WWKHEENHXFJMER-DHIUTWEWSA-N 2 2 418.601 3.737 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470819 996200963 /nfs/dbraw/zinc/20/09/63/996200963.db2.gz HEQWYXXKXMWSMR-LOSJGSFVSA-N 2 2 405.586 3.674 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470819 996200966 /nfs/dbraw/zinc/20/09/66/996200966.db2.gz HEQWYXXKXMWSMR-LOSJGSFVSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470819 996200970 /nfs/dbraw/zinc/20/09/70/996200970.db2.gz HEQWYXXKXMWSMR-LOSJGSFVSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470819 996200974 /nfs/dbraw/zinc/20/09/74/996200974.db2.gz HEQWYXXKXMWSMR-LOSJGSFVSA-N 2 2 405.586 3.674 20 0 HHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(I)cc1Cl ZINC000475623786 996257044 /nfs/dbraw/zinc/25/70/44/996257044.db2.gz LOFFWVKXBAIXMS-UHFFFAOYSA-N 2 2 401.679 3.695 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475631258 996262921 /nfs/dbraw/zinc/26/29/21/996262921.db2.gz AMDKVFOYYSDOBJ-MRXNPFEDSA-N 2 2 409.290 3.964 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483766361 996373794 /nfs/dbraw/zinc/37/37/94/996373794.db2.gz ZKXBSTVKGUGNBS-AFXVXQJMSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483766361 996373796 /nfs/dbraw/zinc/37/37/96/996373796.db2.gz ZKXBSTVKGUGNBS-AFXVXQJMSA-N 2 2 422.658 3.559 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000483864882 996434830 /nfs/dbraw/zinc/43/48/30/996434830.db2.gz PAULHGICUVLGLM-INIZCTEOSA-N 2 2 405.612 3.904 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000483864882 996434833 /nfs/dbraw/zinc/43/48/33/996434833.db2.gz PAULHGICUVLGLM-INIZCTEOSA-N 2 2 405.612 3.904 20 0 HHADLP Cc1csc(-c2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)n1 ZINC000483893558 996453289 /nfs/dbraw/zinc/45/32/89/996453289.db2.gz KBKCBEOUCMSOBS-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2 ZINC000475929053 996478117 /nfs/dbraw/zinc/47/81/17/996478117.db2.gz KUMBXMFQPWRAHD-QGZVFWFLSA-N 2 2 404.624 3.506 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000475929053 996478120 /nfs/dbraw/zinc/47/81/20/996478120.db2.gz KUMBXMFQPWRAHD-QGZVFWFLSA-N 2 2 404.624 3.506 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483988968 996508095 /nfs/dbraw/zinc/50/80/95/996508095.db2.gz UHBIYAFXSCMCPF-UHFFFAOYSA-N 2 2 413.610 3.737 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011774 996540221 /nfs/dbraw/zinc/54/02/21/996540221.db2.gz OBKGPYXGUJWVDS-QUCCMNQESA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011774 996540223 /nfs/dbraw/zinc/54/02/23/996540223.db2.gz OBKGPYXGUJWVDS-QUCCMNQESA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011774 996540228 /nfs/dbraw/zinc/54/02/28/996540228.db2.gz OBKGPYXGUJWVDS-QUCCMNQESA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011774 996540229 /nfs/dbraw/zinc/54/02/29/996540229.db2.gz OBKGPYXGUJWVDS-QUCCMNQESA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)C2 ZINC000476053493 996569666 /nfs/dbraw/zinc/56/96/66/996569666.db2.gz VRBQWOOUKSUCDU-ICSRJNTNSA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCOCC1)CC2 ZINC000476053493 996569668 /nfs/dbraw/zinc/56/96/68/996569668.db2.gz VRBQWOOUKSUCDU-ICSRJNTNSA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000476063552 996575701 /nfs/dbraw/zinc/57/57/01/996575701.db2.gz VLNYREUMUGPFDK-JOCHJYFZSA-N 2 2 423.605 3.534 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000476063552 996575708 /nfs/dbraw/zinc/57/57/08/996575708.db2.gz VLNYREUMUGPFDK-JOCHJYFZSA-N 2 2 423.605 3.534 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154646 996603929 /nfs/dbraw/zinc/60/39/29/996603929.db2.gz CRBPKSYLGANJTF-OPAMFIHVSA-N 2 2 406.473 3.584 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154646 996603932 /nfs/dbraw/zinc/60/39/32/996603932.db2.gz CRBPKSYLGANJTF-OPAMFIHVSA-N 2 2 406.473 3.584 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000476139297 996628600 /nfs/dbraw/zinc/62/86/00/996628600.db2.gz HVKXDOMXFFTQCK-SPLOXXLWSA-N 2 2 418.513 3.884 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000476139297 996628605 /nfs/dbraw/zinc/62/86/05/996628605.db2.gz HVKXDOMXFFTQCK-SPLOXXLWSA-N 2 2 418.513 3.884 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)C2 ZINC000476303571 996743427 /nfs/dbraw/zinc/74/34/27/996743427.db2.gz WMMZCONOPVUCMM-IOJLRTSASA-N 2 2 400.611 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc3ccccc3)C[C@H]1C)C2 ZINC000476314644 996750205 /nfs/dbraw/zinc/75/02/05/996750205.db2.gz NYERURBNGFZNAZ-QWFCFKBJSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000476314644 996750208 /nfs/dbraw/zinc/75/02/08/996750208.db2.gz NYERURBNGFZNAZ-QWFCFKBJSA-N 2 2 408.590 3.911 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2c(O)cccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476333662 996762325 /nfs/dbraw/zinc/76/23/25/996762325.db2.gz DJPXKQPIMQBGDQ-ZLNRFVROSA-N 2 2 413.606 3.608 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2c(O)cccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476333662 996762333 /nfs/dbraw/zinc/76/23/33/996762333.db2.gz DJPXKQPIMQBGDQ-ZLNRFVROSA-N 2 2 413.606 3.608 20 0 HHADLP COCCC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000484480809 996799703 /nfs/dbraw/zinc/79/97/03/996799703.db2.gz AALJPRDJEOJGGY-QZTJIDSGSA-N 2 2 401.414 3.944 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980646 997599573 /nfs/dbraw/zinc/59/95/73/997599573.db2.gz MMAHYYJKBGCYSN-BVYCBKJFSA-N 2 2 415.940 3.863 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980646 997599586 /nfs/dbraw/zinc/59/95/86/997599586.db2.gz MMAHYYJKBGCYSN-BVYCBKJFSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980646 997599599 /nfs/dbraw/zinc/59/95/99/997599599.db2.gz MMAHYYJKBGCYSN-BVYCBKJFSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980646 997599611 /nfs/dbraw/zinc/59/96/11/997599611.db2.gz MMAHYYJKBGCYSN-BVYCBKJFSA-N 2 2 415.940 3.863 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000476987726 997612977 /nfs/dbraw/zinc/61/29/77/997612977.db2.gz RDQZWSWFSQMLNI-LJQANCHMSA-N 2 2 423.623 3.541 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000476987726 997612984 /nfs/dbraw/zinc/61/29/84/997612984.db2.gz RDQZWSWFSQMLNI-LJQANCHMSA-N 2 2 423.623 3.541 20 0 HHADLP Fc1ccc(-n2cc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000477224640 997898684 /nfs/dbraw/zinc/89/86/84/997898684.db2.gz ZRQPCFSNBNPIKO-UHFFFAOYSA-N 2 2 421.564 3.699 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007564 998451173 /nfs/dbraw/zinc/45/11/73/998451173.db2.gz PKXAMARNVZKZAR-QEFHDYNCSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc[nH+]1 ZINC000486007564 998451182 /nfs/dbraw/zinc/45/11/82/998451182.db2.gz PKXAMARNVZKZAR-QEFHDYNCSA-N 2 2 424.593 3.616 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000486008968 998452162 /nfs/dbraw/zinc/45/21/62/998452162.db2.gz RHLCUMFLHLJYKJ-JXKFMYIUSA-N 2 2 423.605 3.541 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000486008968 998452164 /nfs/dbraw/zinc/45/21/64/998452164.db2.gz RHLCUMFLHLJYKJ-JXKFMYIUSA-N 2 2 423.605 3.541 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486273088 998690134 /nfs/dbraw/zinc/69/01/34/998690134.db2.gz CJOIDYAHZCEDSM-NQIIRXRSSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486273088 998690138 /nfs/dbraw/zinc/69/01/38/998690138.db2.gz CJOIDYAHZCEDSM-NQIIRXRSSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486330344 998714808 /nfs/dbraw/zinc/71/48/08/998714808.db2.gz DZNGIASMCWUEDM-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486330344 998714810 /nfs/dbraw/zinc/71/48/10/998714810.db2.gz DZNGIASMCWUEDM-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000478054593 998739110 /nfs/dbraw/zinc/73/91/10/998739110.db2.gz RZIVFPPKPFLOBP-INIZCTEOSA-N 2 2 423.399 3.759 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000478054593 998739113 /nfs/dbraw/zinc/73/91/13/998739113.db2.gz RZIVFPPKPFLOBP-INIZCTEOSA-N 2 2 423.399 3.759 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000478411025 998943547 /nfs/dbraw/zinc/94/35/47/998943547.db2.gz MBSCUZSXHXDIAR-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Sc2ccccc2)n1 ZINC000487348366 999143047 /nfs/dbraw/zinc/14/30/47/999143047.db2.gz XIBMUMRIKHGOHL-UHFFFAOYSA-N 2 2 424.614 3.830 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000487667076 999247180 /nfs/dbraw/zinc/24/71/80/999247180.db2.gz FLMZNDGHYRDGQE-HXUWFJFHSA-N 2 2 403.958 3.623 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000487667076 999247182 /nfs/dbraw/zinc/24/71/82/999247182.db2.gz FLMZNDGHYRDGQE-HXUWFJFHSA-N 2 2 403.958 3.623 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000487810121 999297608 /nfs/dbraw/zinc/29/76/08/999297608.db2.gz ZNKZXZMJLRDRDG-UHFFFAOYSA-N 2 2 405.546 3.843 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488172881 999401745 /nfs/dbraw/zinc/40/17/45/999401745.db2.gz CBIZGDMHAQZTPD-UHFFFAOYSA-N 2 2 400.320 3.938 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488172881 999401748 /nfs/dbraw/zinc/40/17/48/999401748.db2.gz CBIZGDMHAQZTPD-UHFFFAOYSA-N 2 2 400.320 3.938 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785521 999607004 /nfs/dbraw/zinc/60/70/04/999607004.db2.gz NRDYNTDRVXWDBL-SFTDATJTSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785521 999607007 /nfs/dbraw/zinc/60/70/07/999607007.db2.gz NRDYNTDRVXWDBL-SFTDATJTSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488789023 999608133 /nfs/dbraw/zinc/60/81/33/999608133.db2.gz UFQGJVXEYUAEIQ-YADHBBJMSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488789023 999608135 /nfs/dbraw/zinc/60/81/35/999608135.db2.gz UFQGJVXEYUAEIQ-YADHBBJMSA-N 2 2 406.014 3.987 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840033 999619812 /nfs/dbraw/zinc/61/98/12/999619812.db2.gz SAEVHSFLDZBHKO-FGZHOGPDSA-N 2 2 416.516 3.661 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840033 999619816 /nfs/dbraw/zinc/61/98/16/999619816.db2.gz SAEVHSFLDZBHKO-FGZHOGPDSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840033 999619819 /nfs/dbraw/zinc/61/98/19/999619819.db2.gz SAEVHSFLDZBHKO-FGZHOGPDSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000479840033 999619824 /nfs/dbraw/zinc/61/98/24/999619824.db2.gz SAEVHSFLDZBHKO-FGZHOGPDSA-N 2 2 416.516 3.661 20 0 HHADLP COc1ccc([C@@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)[NH+]2CCOCC2)cc1 ZINC000479851732 999625123 /nfs/dbraw/zinc/62/51/23/999625123.db2.gz NHCLPCTZEKDLFO-JOCHJYFZSA-N 2 2 411.477 3.877 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144641 999711342 /nfs/dbraw/zinc/71/13/42/999711342.db2.gz ABCDHLSLZOYKFZ-VSKRKVRLSA-N 2 2 413.606 3.521 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144641 999711345 /nfs/dbraw/zinc/71/13/45/999711345.db2.gz ABCDHLSLZOYKFZ-VSKRKVRLSA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149154 999712220 /nfs/dbraw/zinc/71/22/20/999712220.db2.gz ROMRSNDVMXKXCA-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149154 999712222 /nfs/dbraw/zinc/71/22/22/999712222.db2.gz ROMRSNDVMXKXCA-VQTJNVASSA-N 2 2 407.986 3.758 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000489294618 999739149 /nfs/dbraw/zinc/73/91/49/999739149.db2.gz OWFWIMPVOROZBW-GOSISDBHSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000489294618 999739152 /nfs/dbraw/zinc/73/91/52/999739152.db2.gz OWFWIMPVOROZBW-GOSISDBHSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000489332583 999747264 /nfs/dbraw/zinc/74/72/64/999747264.db2.gz TUEWFIHKOSNQTO-UGKGYDQZSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000489332583 999747266 /nfs/dbraw/zinc/74/72/66/999747266.db2.gz TUEWFIHKOSNQTO-UGKGYDQZSA-N 2 2 422.573 3.648 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000480239906 999753867 /nfs/dbraw/zinc/75/38/67/999753867.db2.gz GNSZAIYQVTXCER-AVJFOWIRSA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000480239906 999753869 /nfs/dbraw/zinc/75/38/69/999753869.db2.gz GNSZAIYQVTXCER-AVJFOWIRSA-N 3 2 422.617 3.691 20 0 HHADLP CC1(C)CC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC(C)(C)[NH2+]1 ZINC000480325720 999771882 /nfs/dbraw/zinc/77/18/82/999771882.db2.gz IBNMMCFXEGBYDA-OAHLLOKOSA-N 2 2 415.397 3.566 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000480533760 999820322 /nfs/dbraw/zinc/82/03/22/999820322.db2.gz BDZMLLQZLHLPRZ-UHFFFAOYSA-N 2 2 400.526 3.896 20 0 HHADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046394 999884433 /nfs/dbraw/zinc/88/44/33/999884433.db2.gz VPAGYRFYXXQAJX-REWPJTCUSA-N 2 2 407.558 3.644 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191076 999907988 /nfs/dbraw/zinc/90/79/88/999907988.db2.gz PHNATEWWDZEALU-KOSHJBKYSA-N 2 2 408.521 3.659 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)c2)CCO1 ZINC000490191076 999907989 /nfs/dbraw/zinc/90/79/89/999907989.db2.gz PHNATEWWDZEALU-KOSHJBKYSA-N 2 2 408.521 3.659 20 0 HHADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000490595756 999982096 /nfs/dbraw/zinc/98/20/96/999982096.db2.gz VGOCZPFFQUDEJE-UHFFFAOYSA-N 2 2 402.542 3.949 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491058957 1000040597 /nfs/dbraw/zinc/04/05/97/1000040597.db2.gz QCJOGJGNRMJLLP-FQEVSTJZSA-N 2 2 406.574 3.593 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491058957 1000040599 /nfs/dbraw/zinc/04/05/99/1000040599.db2.gz QCJOGJGNRMJLLP-FQEVSTJZSA-N 2 2 406.574 3.593 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000491973896 1000102631 /nfs/dbraw/zinc/10/26/31/1000102631.db2.gz ACHKPSRDOHDEKI-IBGZPJMESA-N 2 2 418.545 3.880 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000491973896 1000102633 /nfs/dbraw/zinc/10/26/33/1000102633.db2.gz ACHKPSRDOHDEKI-IBGZPJMESA-N 2 2 418.545 3.880 20 0 HHADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000492401368 1000125292 /nfs/dbraw/zinc/12/52/92/1000125292.db2.gz OSCBSVQBCURMNH-UHFFFAOYSA-N 2 2 423.557 3.852 20 0 HHADLP C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293692 1000416833 /nfs/dbraw/zinc/41/68/33/1000416833.db2.gz RNTNOSVDWQFPSL-STLXWTDXSA-N 2 2 421.585 3.559 20 0 HHADLP C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293692 1000416836 /nfs/dbraw/zinc/41/68/36/1000416836.db2.gz RNTNOSVDWQFPSL-STLXWTDXSA-N 2 2 421.585 3.559 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494427477 1000487052 /nfs/dbraw/zinc/48/70/52/1000487052.db2.gz FUCRRHMEMSLLRE-DHIUTWEWSA-N 2 2 407.562 3.818 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000504994622 1000494739 /nfs/dbraw/zinc/49/47/39/1000494739.db2.gz QZVUIAXFUNTPDU-DNVCBOLYSA-N 2 2 421.010 3.750 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000504994622 1000494741 /nfs/dbraw/zinc/49/47/41/1000494741.db2.gz QZVUIAXFUNTPDU-DNVCBOLYSA-N 2 2 421.010 3.750 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505136797 1000570243 /nfs/dbraw/zinc/57/02/43/1000570243.db2.gz UNQYIJZCESEHJX-HXUWFJFHSA-N 2 2 416.447 3.983 20 0 HHADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1Br ZINC000494852344 1000695627 /nfs/dbraw/zinc/69/56/27/1000695627.db2.gz ARNPVRZGINMWIY-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1Br ZINC000494852344 1000695630 /nfs/dbraw/zinc/69/56/30/1000695630.db2.gz ARNPVRZGINMWIY-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP c1nnc([C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C2CCCCC2)[nH]1 ZINC000494919976 1000730137 /nfs/dbraw/zinc/73/01/37/1000730137.db2.gz FXLJBSXHJKFOAH-QHCPKHFHSA-N 2 2 410.610 3.614 20 0 HHADLP c1nnc([C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)[nH]1 ZINC000494919976 1000730143 /nfs/dbraw/zinc/73/01/43/1000730143.db2.gz FXLJBSXHJKFOAH-QHCPKHFHSA-N 2 2 410.610 3.614 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924949 1000732753 /nfs/dbraw/zinc/73/27/53/1000732753.db2.gz RQWMPPKMYDCUMF-QFIPXVFZSA-N 2 2 422.617 3.637 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518156 1000860491 /nfs/dbraw/zinc/86/04/91/1000860491.db2.gz ZYNYZWXOAYPQCR-RLSLOFABSA-N 2 2 421.585 3.645 20 0 HHADLP CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000505689701 1000977039 /nfs/dbraw/zinc/97/70/39/1000977039.db2.gz JOARBJRKSOQNMB-UHFFFAOYSA-N 2 2 416.516 3.567 20 0 HHADLP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000505689701 1000977041 /nfs/dbraw/zinc/97/70/41/1000977041.db2.gz JOARBJRKSOQNMB-UHFFFAOYSA-N 2 2 416.516 3.567 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000495626795 1001055064 /nfs/dbraw/zinc/05/50/64/1001055064.db2.gz UKPQPTLCLQZOIM-MRXNPFEDSA-N 2 2 405.464 3.944 20 0 HHADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506048098 1001189960 /nfs/dbraw/zinc/18/99/60/1001189960.db2.gz UTKXDZUUJBAJFD-MRXNPFEDSA-N 2 2 411.949 3.631 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cn2c1 ZINC000506090359 1001214018 /nfs/dbraw/zinc/21/40/18/1001214018.db2.gz SBQQBIDGDDIYRR-WOJBJXKFSA-N 2 2 414.619 3.989 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cn2c1 ZINC000506090359 1001214026 /nfs/dbraw/zinc/21/40/26/1001214026.db2.gz SBQQBIDGDDIYRR-WOJBJXKFSA-N 2 2 414.619 3.989 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)CCCc3ccccc3)CC2)CC1 ZINC000506149822 1001250010 /nfs/dbraw/zinc/25/00/10/1001250010.db2.gz SGWSTCBQAHIBHI-UHFFFAOYSA-N 2 2 414.638 3.893 20 0 HHADLP Cc1cccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccco2)c1 ZINC000497748671 1001503462 /nfs/dbraw/zinc/50/34/62/1001503462.db2.gz DZIKLLWSNRCLKQ-UHFFFAOYSA-N 2 2 418.541 3.724 20 0 HHADLP Cc1cccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)Cc2ccco2)c1 ZINC000497748671 1001503464 /nfs/dbraw/zinc/50/34/64/1001503464.db2.gz DZIKLLWSNRCLKQ-UHFFFAOYSA-N 2 2 418.541 3.724 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000506753700 1001514060 /nfs/dbraw/zinc/51/40/60/1001514060.db2.gz SOIZXKXQIDKKJU-UHFFFAOYSA-N 2 2 408.590 3.906 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000506753700 1001514063 /nfs/dbraw/zinc/51/40/63/1001514063.db2.gz SOIZXKXQIDKKJU-UHFFFAOYSA-N 2 2 408.590 3.906 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000497833582 1001529542 /nfs/dbraw/zinc/52/95/42/1001529542.db2.gz WCZQJGXEUTWISZ-TZIWHRDSSA-N 2 2 420.395 3.993 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930316 1001599085 /nfs/dbraw/zinc/59/90/85/1001599085.db2.gz HERJYLPRXXCKSB-NZQKXSOJSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930316 1001599091 /nfs/dbraw/zinc/59/90/91/1001599091.db2.gz HERJYLPRXXCKSB-NZQKXSOJSA-N 2 2 409.578 3.727 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000498134276 1001656438 /nfs/dbraw/zinc/65/64/38/1001656438.db2.gz DUSPISIFBQXELH-AUSIDOKSSA-N 2 2 409.578 3.658 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507065392 1001788571 /nfs/dbraw/zinc/78/85/71/1001788571.db2.gz QXBXSMBPCVQQSU-JOCHJYFZSA-N 2 2 421.589 3.904 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507087674 1001799483 /nfs/dbraw/zinc/79/94/83/1001799483.db2.gz PQMOBJXFQNIYLI-JOCHJYFZSA-N 2 2 421.589 3.904 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097491 1001805978 /nfs/dbraw/zinc/80/59/78/1001805978.db2.gz PMFRECDLSHAEEW-UXHICEINSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097491 1001805981 /nfs/dbraw/zinc/80/59/81/1001805981.db2.gz PMFRECDLSHAEEW-UXHICEINSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113347 1001817315 /nfs/dbraw/zinc/81/73/15/1001817315.db2.gz QELMVQZGVNZQTN-QHAWAJNXSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113347 1001817324 /nfs/dbraw/zinc/81/73/24/1001817324.db2.gz QELMVQZGVNZQTN-QHAWAJNXSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+]1CCc2ccccc2C1 ZINC000507124386 1001823188 /nfs/dbraw/zinc/82/31/88/1001823188.db2.gz ZISLVYDOYUBVLJ-KNQAVFIVSA-N 2 2 421.589 3.555 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+]1CCc2ccccc2C1 ZINC000507124386 1001823203 /nfs/dbraw/zinc/82/32/03/1001823203.db2.gz ZISLVYDOYUBVLJ-KNQAVFIVSA-N 2 2 421.589 3.555 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000498424543 1001854511 /nfs/dbraw/zinc/85/45/11/1001854511.db2.gz VCHMBUAQAMLUAW-UHFFFAOYSA-N 2 2 417.500 3.855 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000498424543 1001854525 /nfs/dbraw/zinc/85/45/25/1001854525.db2.gz VCHMBUAQAMLUAW-UHFFFAOYSA-N 2 2 417.500 3.855 20 0 HHADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498574851 1001988674 /nfs/dbraw/zinc/98/86/74/1001988674.db2.gz KXTFYDYDDCTXGS-HSZRJFAPSA-N 2 2 408.590 3.557 20 0 HHADLP CCc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498574851 1001988682 /nfs/dbraw/zinc/98/86/82/1001988682.db2.gz KXTFYDYDDCTXGS-HSZRJFAPSA-N 2 2 408.590 3.557 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313009 1001992285 /nfs/dbraw/zinc/99/22/85/1001992285.db2.gz CLJNELRKVXKLTR-RTBURBONSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507313009 1001992295 /nfs/dbraw/zinc/99/22/95/1001992295.db2.gz CLJNELRKVXKLTR-RTBURBONSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507616151 1002221233 /nfs/dbraw/zinc/22/12/33/1002221233.db2.gz BUGZPOHTFFKUPF-OXQOHEQNSA-N 2 2 402.477 3.936 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NC3CCC(C(=O)OC(C)(C)C)CC3)[nH+]c2)CC1 ZINC000507951135 1002483974 /nfs/dbraw/zinc/48/39/74/1002483974.db2.gz NUXFWWIHWSRLIF-UHFFFAOYSA-N 2 2 402.583 3.924 20 0 HHADLP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000499189146 1002579022 /nfs/dbraw/zinc/57/90/22/1002579022.db2.gz IBZAFHYZEXXTIK-OSYLJGHBSA-N 2 2 403.448 3.828 20 0 HHADLP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000499189146 1002579029 /nfs/dbraw/zinc/57/90/29/1002579029.db2.gz IBZAFHYZEXXTIK-OSYLJGHBSA-N 2 2 403.448 3.828 20 0 HHADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000499532858 1002919708 /nfs/dbraw/zinc/91/97/08/1002919708.db2.gz XTASLQRSGJKRFO-IBGZPJMESA-N 2 2 404.514 3.904 20 0 HHADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000499532858 1002919716 /nfs/dbraw/zinc/91/97/16/1002919716.db2.gz XTASLQRSGJKRFO-IBGZPJMESA-N 2 2 404.514 3.904 20 0 HHADLP CC[N@H+](Cc1ncnn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499538409 1002923814 /nfs/dbraw/zinc/92/38/14/1002923814.db2.gz NPWRCGSIJXRXPY-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP CC[N@@H+](Cc1ncnn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499538409 1002923824 /nfs/dbraw/zinc/92/38/24/1002923824.db2.gz NPWRCGSIJXRXPY-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000508679590 1003117381 /nfs/dbraw/zinc/11/73/81/1003117381.db2.gz QQJDYERCZNXOQM-AWEZNQCLSA-N 2 2 405.333 3.762 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000508679590 1003117389 /nfs/dbraw/zinc/11/73/89/1003117389.db2.gz QQJDYERCZNXOQM-AWEZNQCLSA-N 2 2 405.333 3.762 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OC(C)(C)C)n1 ZINC000508889851 1003318261 /nfs/dbraw/zinc/31/82/61/1003318261.db2.gz NQJVHPWIPIOYKY-UHFFFAOYSA-N 3 2 402.627 3.887 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OC(C)(C)C)n1 ZINC000508889851 1003318273 /nfs/dbraw/zinc/31/82/73/1003318273.db2.gz NQJVHPWIPIOYKY-UHFFFAOYSA-N 3 2 402.627 3.887 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000508989963 1003461859 /nfs/dbraw/zinc/46/18/59/1003461859.db2.gz GAIQBXJLGTWVJV-FQEVSTJZSA-N 2 2 421.589 3.833 20 0 HHADLP COc1cc(F)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000509023630 1003494816 /nfs/dbraw/zinc/49/48/16/1003494816.db2.gz RMTRZGXDQCNBAO-SFHVURJKSA-N 2 2 401.526 3.706 20 0 HHADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000509039760 1003510196 /nfs/dbraw/zinc/51/01/96/1003510196.db2.gz LMVAKGUYRHHSBD-FQEVSTJZSA-N 2 2 403.958 3.966 20 0 HHADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000509039760 1003510201 /nfs/dbraw/zinc/51/02/01/1003510201.db2.gz LMVAKGUYRHHSBD-FQEVSTJZSA-N 2 2 403.958 3.966 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372171 1003668610 /nfs/dbraw/zinc/66/86/10/1003668610.db2.gz UOYVZYYSJZMNAB-RTBURBONSA-N 2 2 410.389 3.772 20 0 HHADLP O=C(Nc1ccccc1)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509278049 1003675216 /nfs/dbraw/zinc/67/52/16/1003675216.db2.gz FJTGSTDHELMQEQ-UHFFFAOYSA-N 2 2 406.574 3.549 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc4c3OCCCO4)CC2)c1 ZINC000500477302 1003738736 /nfs/dbraw/zinc/73/87/36/1003738736.db2.gz UCEJXWXUVMUOKW-UHFFFAOYSA-N 2 2 415.965 3.803 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCOCC1)c1ccccc1 ZINC000500481240 1003740489 /nfs/dbraw/zinc/74/04/89/1003740489.db2.gz AJRJGWNYLQJCDR-HXUWFJFHSA-N 2 2 418.541 3.561 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(-c4cnn(C)c4)s3)CC2)c1 ZINC000509531488 1003926979 /nfs/dbraw/zinc/92/69/79/1003926979.db2.gz DJWLMHWSKYSJLP-UHFFFAOYSA-N 2 2 409.603 3.759 20 0 HHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000511992785 1003940828 /nfs/dbraw/zinc/94/08/28/1003940828.db2.gz VSNRIPVBOICPPB-YPMHNXCESA-N 2 2 400.832 3.877 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000509591051 1003965581 /nfs/dbraw/zinc/96/55/81/1003965581.db2.gz OHSCYPGQGPQHMS-AZUAARDMSA-N 2 2 401.555 3.807 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901349 1004039572 /nfs/dbraw/zinc/03/95/72/1004039572.db2.gz UNNSEMWHEMBUBA-NHCUHLMSSA-N 2 2 424.992 3.988 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901349 1004039579 /nfs/dbraw/zinc/03/95/79/1004039579.db2.gz UNNSEMWHEMBUBA-NHCUHLMSSA-N 2 2 424.992 3.988 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198959 1004099888 /nfs/dbraw/zinc/09/98/88/1004099888.db2.gz BMGPQHSIMPHITC-IRLDBZIGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198959 1004099895 /nfs/dbraw/zinc/09/98/95/1004099895.db2.gz BMGPQHSIMPHITC-IRLDBZIGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198959 1004099902 /nfs/dbraw/zinc/09/99/02/1004099902.db2.gz BMGPQHSIMPHITC-IRLDBZIGSA-N 2 2 413.606 3.678 20 0 HHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000512198959 1004099915 /nfs/dbraw/zinc/09/99/15/1004099915.db2.gz BMGPQHSIMPHITC-IRLDBZIGSA-N 2 2 413.606 3.678 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512199910 1004101394 /nfs/dbraw/zinc/10/13/94/1004101394.db2.gz VXBQJGSLNCEUBV-WIYYLYMNSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512199910 1004101400 /nfs/dbraw/zinc/10/14/00/1004101400.db2.gz VXBQJGSLNCEUBV-WIYYLYMNSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512199910 1004101406 /nfs/dbraw/zinc/10/14/06/1004101406.db2.gz VXBQJGSLNCEUBV-WIYYLYMNSA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512199910 1004101411 /nfs/dbraw/zinc/10/14/11/1004101411.db2.gz VXBQJGSLNCEUBV-WIYYLYMNSA-N 2 2 404.599 3.538 20 0 HHADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501008356 1004113267 /nfs/dbraw/zinc/11/32/67/1004113267.db2.gz RJDHCUIIJSJDJW-QFBILLFUSA-N 2 2 410.965 3.790 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000501022929 1004126136 /nfs/dbraw/zinc/12/61/36/1004126136.db2.gz KWJJDYIMJMPMGR-GUDVDZBRSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000501022929 1004126143 /nfs/dbraw/zinc/12/61/43/1004126143.db2.gz KWJJDYIMJMPMGR-GUDVDZBRSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501022927 1004126239 /nfs/dbraw/zinc/12/62/39/1004126239.db2.gz KWJJDYIMJMPMGR-GBESFXJTSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501022927 1004126245 /nfs/dbraw/zinc/12/62/45/1004126245.db2.gz KWJJDYIMJMPMGR-GBESFXJTSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242036 1004145108 /nfs/dbraw/zinc/14/51/08/1004145108.db2.gz IHNPEBFRYAXFQD-DVECYGJZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242036 1004145111 /nfs/dbraw/zinc/14/51/11/1004145111.db2.gz IHNPEBFRYAXFQD-DVECYGJZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512242036 1004145117 /nfs/dbraw/zinc/14/51/17/1004145117.db2.gz IHNPEBFRYAXFQD-DVECYGJZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512242036 1004145122 /nfs/dbraw/zinc/14/51/22/1004145122.db2.gz IHNPEBFRYAXFQD-DVECYGJZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509848712 1004146990 /nfs/dbraw/zinc/14/69/90/1004146990.db2.gz CGOMIIYBFJLXAD-SELNLUPBSA-N 2 2 410.562 3.720 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509848712 1004146997 /nfs/dbraw/zinc/14/69/97/1004146997.db2.gz CGOMIIYBFJLXAD-SELNLUPBSA-N 2 2 410.562 3.720 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271629 1004173098 /nfs/dbraw/zinc/17/30/98/1004173098.db2.gz VBNHQQXIHDXXRI-ISJBWFOZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271629 1004173105 /nfs/dbraw/zinc/17/31/05/1004173105.db2.gz VBNHQQXIHDXXRI-ISJBWFOZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271629 1004173109 /nfs/dbraw/zinc/17/31/09/1004173109.db2.gz VBNHQQXIHDXXRI-ISJBWFOZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271629 1004173116 /nfs/dbraw/zinc/17/31/16/1004173116.db2.gz VBNHQQXIHDXXRI-ISJBWFOZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271635 1004173539 /nfs/dbraw/zinc/17/35/39/1004173539.db2.gz VBNHQQXIHDXXRI-WOVHNISZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271635 1004173546 /nfs/dbraw/zinc/17/35/46/1004173546.db2.gz VBNHQQXIHDXXRI-WOVHNISZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271635 1004173553 /nfs/dbraw/zinc/17/35/53/1004173553.db2.gz VBNHQQXIHDXXRI-WOVHNISZSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271635 1004173558 /nfs/dbraw/zinc/17/35/58/1004173558.db2.gz VBNHQQXIHDXXRI-WOVHNISZSA-N 2 2 421.585 3.859 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509902868 1004195350 /nfs/dbraw/zinc/19/53/50/1004195350.db2.gz WWLGOQXDWSMROD-QHGAOEGBSA-N 2 2 407.986 3.610 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000509902868 1004195356 /nfs/dbraw/zinc/19/53/56/1004195356.db2.gz WWLGOQXDWSMROD-QHGAOEGBSA-N 2 2 407.986 3.610 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)CC1 ZINC000509907983 1004200572 /nfs/dbraw/zinc/20/05/72/1004200572.db2.gz GRZAZLSOWCUEID-UHFFFAOYSA-N 2 2 408.571 3.863 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)CC1 ZINC000509907983 1004200582 /nfs/dbraw/zinc/20/05/82/1004200582.db2.gz GRZAZLSOWCUEID-UHFFFAOYSA-N 2 2 408.571 3.863 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000512302994 1004203883 /nfs/dbraw/zinc/20/38/83/1004203883.db2.gz PLXGJQLIFVAION-SFHVURJKSA-N 2 2 421.520 3.644 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000512311280 1004208624 /nfs/dbraw/zinc/20/86/24/1004208624.db2.gz YUZOTINDXMKIJG-NFBKMPQASA-N 2 2 406.574 3.846 20 0 HHADLP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213166 1004283905 /nfs/dbraw/zinc/28/39/05/1004283905.db2.gz YQLDAKLSMFEKGB-FDDCHVKYSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213166 1004283915 /nfs/dbraw/zinc/28/39/15/1004283915.db2.gz YQLDAKLSMFEKGB-FDDCHVKYSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213166 1004283921 /nfs/dbraw/zinc/28/39/21/1004283921.db2.gz YQLDAKLSMFEKGB-FDDCHVKYSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000501213166 1004283931 /nfs/dbraw/zinc/28/39/31/1004283931.db2.gz YQLDAKLSMFEKGB-FDDCHVKYSA-N 2 2 424.541 3.745 20 0 HHADLP Fc1cc2cccnc2c(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512464209 1004323095 /nfs/dbraw/zinc/32/30/95/1004323095.db2.gz WHSWQZSGIGYXNZ-DEOSSOPVSA-N 2 2 404.533 3.766 20 0 HHADLP Fc1cc2cccnc2c(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512464209 1004323102 /nfs/dbraw/zinc/32/31/02/1004323102.db2.gz WHSWQZSGIGYXNZ-DEOSSOPVSA-N 2 2 404.533 3.766 20 0 HHADLP Fc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481758 1004334297 /nfs/dbraw/zinc/33/42/97/1004334297.db2.gz XZDMKPNXQVMVJS-JOCHJYFZSA-N 2 2 404.533 3.766 20 0 HHADLP Fc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481758 1004334304 /nfs/dbraw/zinc/33/43/04/1004334304.db2.gz XZDMKPNXQVMVJS-JOCHJYFZSA-N 2 2 404.533 3.766 20 0 HHADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512683867 1004491392 /nfs/dbraw/zinc/49/13/92/1004491392.db2.gz YRODFZGQKQFREO-FQEVSTJZSA-N 2 2 420.557 3.871 20 0 HHADLP COc1ccc2oc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512683867 1004491399 /nfs/dbraw/zinc/49/13/99/1004491399.db2.gz YRODFZGQKQFREO-FQEVSTJZSA-N 2 2 420.557 3.871 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512807371 1004570865 /nfs/dbraw/zinc/57/08/65/1004570865.db2.gz GMKWSAIFRKWQFZ-OALUTQOASA-N 2 2 411.550 3.737 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512807371 1004570870 /nfs/dbraw/zinc/57/08/70/1004570870.db2.gz GMKWSAIFRKWQFZ-OALUTQOASA-N 2 2 411.550 3.737 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000512921933 1004696342 /nfs/dbraw/zinc/69/63/42/1004696342.db2.gz DYBSDMFJZBCNMT-NYVOZVTQSA-N 2 2 413.566 3.566 20 0 HHADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000501774390 1004712592 /nfs/dbraw/zinc/71/25/92/1004712592.db2.gz NHHRPLWJGPWSBS-UHFFFAOYSA-N 2 2 400.336 3.581 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000501827156 1004762160 /nfs/dbraw/zinc/76/21/60/1004762160.db2.gz ZMCHBUUKCYIKHK-MRXNPFEDSA-N 2 2 413.965 3.877 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000501827156 1004762167 /nfs/dbraw/zinc/76/21/67/1004762167.db2.gz ZMCHBUUKCYIKHK-MRXNPFEDSA-N 2 2 413.965 3.877 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881471 1004793491 /nfs/dbraw/zinc/79/34/91/1004793491.db2.gz KVQIFXZSPWFYGH-TXZBKRMVSA-N 2 2 424.511 3.506 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881471 1004793500 /nfs/dbraw/zinc/79/35/00/1004793500.db2.gz KVQIFXZSPWFYGH-TXZBKRMVSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881471 1004793507 /nfs/dbraw/zinc/79/35/07/1004793507.db2.gz KVQIFXZSPWFYGH-TXZBKRMVSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881471 1004793515 /nfs/dbraw/zinc/79/35/15/1004793515.db2.gz KVQIFXZSPWFYGH-TXZBKRMVSA-N 2 2 424.511 3.506 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000510747805 1004830760 /nfs/dbraw/zinc/83/07/60/1004830760.db2.gz ODVFMAGUXNPCID-RTBURBONSA-N 2 2 422.411 3.977 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000510747805 1004830764 /nfs/dbraw/zinc/83/07/64/1004830764.db2.gz ODVFMAGUXNPCID-RTBURBONSA-N 2 2 422.411 3.977 20 0 HHADLP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000510790966 1004854148 /nfs/dbraw/zinc/85/41/48/1004854148.db2.gz JUGHWRXQSATMJO-XZOQPEGZSA-N 2 2 401.501 3.597 20 0 HHADLP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000513326753 1004913672 /nfs/dbraw/zinc/91/36/72/1004913672.db2.gz WLZXAKARQIIZKX-UHFFFAOYSA-N 3 2 408.590 3.711 20 0 HHADLP COc1ccccc1O[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000513373173 1004932194 /nfs/dbraw/zinc/93/21/94/1004932194.db2.gz XJYGNZZCURNMFG-QHCPKHFHSA-N 2 2 409.574 3.751 20 0 HHADLP COc1ccccc1O[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000513373173 1004932201 /nfs/dbraw/zinc/93/22/01/1004932201.db2.gz XJYGNZZCURNMFG-QHCPKHFHSA-N 2 2 409.574 3.751 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](Cc3ccccn3)c3cccnc3)CC2)c1 ZINC000513500785 1004992594 /nfs/dbraw/zinc/99/25/94/1004992594.db2.gz ORCHBMOHNVITML-AREMUKBSSA-N 2 2 415.585 3.871 20 0 HHADLP O=C(C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000511181232 1005062369 /nfs/dbraw/zinc/06/23/69/1005062369.db2.gz GCZIWVBKDDTHIS-UHFFFAOYSA-N 2 2 408.373 3.826 20 0 HHADLP O=C(C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000511181232 1005062381 /nfs/dbraw/zinc/06/23/81/1005062381.db2.gz GCZIWVBKDDTHIS-UHFFFAOYSA-N 2 2 408.373 3.826 20 0 HHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000513665363 1005073111 /nfs/dbraw/zinc/07/31/11/1005073111.db2.gz DSBDNFOOHVNAIV-XMMPIXPASA-N 2 2 421.633 3.827 20 0 HHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000513665363 1005073118 /nfs/dbraw/zinc/07/31/18/1005073118.db2.gz DSBDNFOOHVNAIV-XMMPIXPASA-N 2 2 421.633 3.827 20 0 HHADLP CN1CCO[C@H]([C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000511379324 1005148320 /nfs/dbraw/zinc/14/83/20/1005148320.db2.gz DDNGYJILKKYYNO-GOTSBHOMSA-N 2 2 410.949 3.746 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000513925932 1005190943 /nfs/dbraw/zinc/19/09/43/1005190943.db2.gz NPNPTFFHPXTSOS-OAQYLSRUSA-N 2 2 401.595 3.609 20 0 HHADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000502840419 1005240073 /nfs/dbraw/zinc/24/00/73/1005240073.db2.gz PHCYXAFEGLTFKT-UHFFFAOYSA-N 2 2 402.542 3.940 20 0 HHADLP Cc1ccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc2)cc1 ZINC000514065919 1005251184 /nfs/dbraw/zinc/25/11/84/1005251184.db2.gz HFDSHDQEBYAUNS-RUZDIDTESA-N 2 2 420.601 3.942 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000514167460 1005296674 /nfs/dbraw/zinc/29/66/74/1005296674.db2.gz OCZYEUDJLUSCJS-RTBURBONSA-N 2 2 406.958 3.918 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000511733363 1005297907 /nfs/dbraw/zinc/29/79/07/1005297907.db2.gz CSUAXMWIDKWYHB-LJQANCHMSA-N 2 2 408.384 3.575 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000511733363 1005297909 /nfs/dbraw/zinc/29/79/09/1005297909.db2.gz CSUAXMWIDKWYHB-LJQANCHMSA-N 2 2 408.384 3.575 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000503061322 1005332779 /nfs/dbraw/zinc/33/27/79/1005332779.db2.gz FNYNTZNYXCOBGU-MAUKXSAKSA-N 2 2 404.474 3.980 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000503061322 1005332784 /nfs/dbraw/zinc/33/27/84/1005332784.db2.gz FNYNTZNYXCOBGU-MAUKXSAKSA-N 2 2 404.474 3.980 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065070 1005334836 /nfs/dbraw/zinc/33/48/36/1005334836.db2.gz SWZCVXOEHRZGGL-RLFYNMQTSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065070 1005334840 /nfs/dbraw/zinc/33/48/40/1005334840.db2.gz SWZCVXOEHRZGGL-RLFYNMQTSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379250 1005403010 /nfs/dbraw/zinc/40/30/10/1005403010.db2.gz UVOCEJSTIYJDHY-SJLPKXTDSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379250 1005403013 /nfs/dbraw/zinc/40/30/13/1005403013.db2.gz UVOCEJSTIYJDHY-SJLPKXTDSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387615 1005405091 /nfs/dbraw/zinc/40/50/91/1005405091.db2.gz WAZSBSIWOYQNBS-FUHWJXTLSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387615 1005405093 /nfs/dbraw/zinc/40/50/93/1005405093.db2.gz WAZSBSIWOYQNBS-FUHWJXTLSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387613 1005405158 /nfs/dbraw/zinc/40/51/58/1005405158.db2.gz WAZSBSIWOYQNBS-AEFFLSMTSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387613 1005405160 /nfs/dbraw/zinc/40/51/60/1005405160.db2.gz WAZSBSIWOYQNBS-AEFFLSMTSA-N 2 2 400.954 3.757 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503396085 1005407314 /nfs/dbraw/zinc/40/73/14/1005407314.db2.gz XAVFZKPKVRDBPP-FQEVSTJZSA-N 2 2 422.573 3.599 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503396085 1005407317 /nfs/dbraw/zinc/40/73/17/1005407317.db2.gz XAVFZKPKVRDBPP-FQEVSTJZSA-N 2 2 422.573 3.599 20 0 HHADLP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402931 1005409669 /nfs/dbraw/zinc/40/96/69/1005409669.db2.gz BQSFLCMDLNMPFK-FXAWDEMLSA-N 2 2 403.954 3.630 20 0 HHADLP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402931 1005409672 /nfs/dbraw/zinc/40/96/72/1005409672.db2.gz BQSFLCMDLNMPFK-FXAWDEMLSA-N 2 2 403.954 3.630 20 0 HHADLP C[NH+]1CCC(CCNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000503437324 1005420129 /nfs/dbraw/zinc/42/01/29/1005420129.db2.gz PTZNXLVJXWYASC-LJQANCHMSA-N 2 2 410.965 3.647 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439673 1005420716 /nfs/dbraw/zinc/42/07/16/1005420716.db2.gz KNXRHKFPHMEHGU-RBUKOAKNSA-N 2 2 410.562 3.627 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439673 1005420718 /nfs/dbraw/zinc/42/07/18/1005420718.db2.gz KNXRHKFPHMEHGU-RBUKOAKNSA-N 2 2 410.562 3.627 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)C2)CC1 ZINC000503458138 1005426289 /nfs/dbraw/zinc/42/62/89/1005426289.db2.gz GCGONMVHMPCACD-QHCPKHFHSA-N 2 2 423.605 3.627 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)C2)CC1 ZINC000503470633 1005430485 /nfs/dbraw/zinc/43/04/85/1005430485.db2.gz OLPRYBPCTQNRGZ-NRFANRHFSA-N 2 2 409.578 3.585 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432998 1005987853 /nfs/dbraw/zinc/98/78/53/1005987853.db2.gz KUGBVCBKGGKRMA-NEWSRXKRSA-N 2 2 422.639 3.650 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432998 1005987856 /nfs/dbraw/zinc/98/78/56/1005987856.db2.gz KUGBVCBKGGKRMA-NEWSRXKRSA-N 2 2 422.639 3.650 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000514438065 1005990502 /nfs/dbraw/zinc/99/05/02/1005990502.db2.gz IZYZNEYAMYINGO-QFIPXVFZSA-N 2 2 409.578 3.954 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccccn2)n1 ZINC000531191021 1006036644 /nfs/dbraw/zinc/03/66/44/1006036644.db2.gz BFHDBSJRGVJWOI-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccccn2)n1 ZINC000531191021 1006036655 /nfs/dbraw/zinc/03/66/55/1006036655.db2.gz BFHDBSJRGVJWOI-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000534109615 1006085869 /nfs/dbraw/zinc/08/58/69/1006085869.db2.gz AJKYYYDMPZKSEN-UHFFFAOYSA-N 2 2 417.985 3.739 20 0 HHADLP C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177666 1006163796 /nfs/dbraw/zinc/16/37/96/1006163796.db2.gz LRFUZDQLAXKNGK-VGSWGCGISA-N 2 2 415.965 3.992 20 0 HHADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177666 1006163800 /nfs/dbraw/zinc/16/38/00/1006163800.db2.gz LRFUZDQLAXKNGK-VGSWGCGISA-N 2 2 415.965 3.992 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167356 /nfs/dbraw/zinc/16/73/56/1006167356.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 3 2 418.629 3.760 20 0 HHADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167363 /nfs/dbraw/zinc/16/73/63/1006167363.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 3 2 418.629 3.760 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360406 1006324047 /nfs/dbraw/zinc/32/40/47/1006324047.db2.gz WNTLBXBPNKOEMC-VEXUSMLFSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360406 1006324057 /nfs/dbraw/zinc/32/40/57/1006324057.db2.gz WNTLBXBPNKOEMC-VEXUSMLFSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361718 1006327236 /nfs/dbraw/zinc/32/72/36/1006327236.db2.gz RMCVNEIOWRCFKF-DHIUTWEWSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361718 1006327249 /nfs/dbraw/zinc/32/72/49/1006327249.db2.gz RMCVNEIOWRCFKF-DHIUTWEWSA-N 2 2 419.585 3.780 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677279 1006349061 /nfs/dbraw/zinc/34/90/61/1006349061.db2.gz FJSJWWNYBOPTEK-GCJKJVERSA-N 3 2 409.603 3.882 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381967 1006353374 /nfs/dbraw/zinc/35/33/74/1006353374.db2.gz KRDVJWCAFNJUCA-SFTDATJTSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381967 1006353385 /nfs/dbraw/zinc/35/33/85/1006353385.db2.gz KRDVJWCAFNJUCA-SFTDATJTSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382091 1006353587 /nfs/dbraw/zinc/35/35/87/1006353587.db2.gz MPFFPMUCQJITDC-RTBURBONSA-N 2 2 410.965 3.740 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382091 1006353593 /nfs/dbraw/zinc/35/35/93/1006353593.db2.gz MPFFPMUCQJITDC-RTBURBONSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382091 1006353607 /nfs/dbraw/zinc/35/36/07/1006353607.db2.gz MPFFPMUCQJITDC-RTBURBONSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534382091 1006353621 /nfs/dbraw/zinc/35/36/21/1006353621.db2.gz MPFFPMUCQJITDC-RTBURBONSA-N 2 2 410.965 3.740 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386442 1006359166 /nfs/dbraw/zinc/35/91/66/1006359166.db2.gz ZTJZNIXROMXWCZ-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386442 1006359177 /nfs/dbraw/zinc/35/91/77/1006359177.db2.gz ZTJZNIXROMXWCZ-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000531709586 1006369878 /nfs/dbraw/zinc/36/98/78/1006369878.db2.gz XZWPORWOWOKOQF-NLFFAJNJSA-N 3 2 403.574 3.820 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939502 1006532602 /nfs/dbraw/zinc/53/26/02/1006532602.db2.gz XPQCKKKSTGIYSV-CQSZACIVSA-N 2 2 410.440 3.667 20 0 HHADLP CCOc1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)nn1CC(C)C ZINC000538426328 1006692460 /nfs/dbraw/zinc/69/24/60/1006692460.db2.gz GDVALSVJFBVWQX-UHFFFAOYSA-N 2 2 414.598 3.784 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000538442923 1006709947 /nfs/dbraw/zinc/70/99/47/1006709947.db2.gz MBWWUFUTIUPPLF-FUHWJXTLSA-N 2 2 416.595 3.830 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000538442923 1006709958 /nfs/dbraw/zinc/70/99/58/1006709958.db2.gz MBWWUFUTIUPPLF-FUHWJXTLSA-N 2 2 416.595 3.830 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000515840827 1006710894 /nfs/dbraw/zinc/71/08/94/1006710894.db2.gz VXYMMBXWFZOZKH-QHCPKHFHSA-N 2 2 423.605 3.824 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791902 1006794247 /nfs/dbraw/zinc/79/42/47/1006794247.db2.gz JTKBZWNYPPLSHW-QRVBRYPASA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1ccsc1 ZINC000534791902 1006794257 /nfs/dbraw/zinc/79/42/57/1006794257.db2.gz JTKBZWNYPPLSHW-QRVBRYPASA-N 2 2 406.983 3.749 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000534814748 1006821139 /nfs/dbraw/zinc/82/11/39/1006821139.db2.gz ASCFADJLSWRPQA-UHFFFAOYSA-N 2 2 416.997 3.750 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000538587841 1006854873 /nfs/dbraw/zinc/85/48/73/1006854873.db2.gz IMOKQZUUJQYCLF-IBGZPJMESA-N 2 2 409.578 3.622 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607316 1006878802 /nfs/dbraw/zinc/87/88/02/1006878802.db2.gz FRRMXWDRMPUGFB-ZEQRLZLVSA-N 2 2 414.638 3.942 20 0 HHADLP CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538607316 1006878819 /nfs/dbraw/zinc/87/88/19/1006878819.db2.gz FRRMXWDRMPUGFB-ZEQRLZLVSA-N 2 2 414.638 3.942 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccccc3)n2)C1 ZINC000516204165 1006941928 /nfs/dbraw/zinc/94/19/28/1006941928.db2.gz SBWNXDMQEICHFZ-QGZVFWFLSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+](C)Cc3ccccc3)n2)C1 ZINC000516204165 1006941941 /nfs/dbraw/zinc/94/19/41/1006941941.db2.gz SBWNXDMQEICHFZ-QGZVFWFLSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@H+](C)Cc3ccccc3)n2)C1 ZINC000516204165 1006941959 /nfs/dbraw/zinc/94/19/59/1006941959.db2.gz SBWNXDMQEICHFZ-QGZVFWFLSA-N 2 2 401.580 3.629 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC[N@@H+](C)Cc3ccccc3)n2)C1 ZINC000516204165 1006941972 /nfs/dbraw/zinc/94/19/72/1006941972.db2.gz SBWNXDMQEICHFZ-QGZVFWFLSA-N 2 2 401.580 3.629 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000538724921 1007002881 /nfs/dbraw/zinc/00/28/81/1007002881.db2.gz JEDCBQABTZLRKD-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000538724921 1007002896 /nfs/dbraw/zinc/00/28/96/1007002896.db2.gz JEDCBQABTZLRKD-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[N@H+](CCCO)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000538732714 1007013496 /nfs/dbraw/zinc/01/34/96/1007013496.db2.gz LPFGWRRSFLLRSW-UHFFFAOYSA-N 2 2 422.548 3.957 20 0 HHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000538732714 1007013508 /nfs/dbraw/zinc/01/35/08/1007013508.db2.gz LPFGWRRSFLLRSW-UHFFFAOYSA-N 2 2 422.548 3.957 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626871 1007048252 /nfs/dbraw/zinc/04/82/52/1007048252.db2.gz UKRYTYCOCMWCKT-RPWUZVMVSA-N 2 2 424.589 3.514 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626871 1007048264 /nfs/dbraw/zinc/04/82/64/1007048264.db2.gz UKRYTYCOCMWCKT-RPWUZVMVSA-N 2 2 424.589 3.514 20 0 HHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532628441 1007049715 /nfs/dbraw/zinc/04/97/15/1007049715.db2.gz JPORYHMPJAVEJS-FCHUYYIVSA-N 2 2 415.965 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538797748 1007079547 /nfs/dbraw/zinc/07/95/47/1007079547.db2.gz XHCKNZGKTNOWBL-QFBILLFUSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538797748 1007079552 /nfs/dbraw/zinc/07/95/52/1007079552.db2.gz XHCKNZGKTNOWBL-QFBILLFUSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538797748 1007079565 /nfs/dbraw/zinc/07/95/65/1007079565.db2.gz XHCKNZGKTNOWBL-QFBILLFUSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538797748 1007079580 /nfs/dbraw/zinc/07/95/80/1007079580.db2.gz XHCKNZGKTNOWBL-QFBILLFUSA-N 2 2 411.384 3.781 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535091330 1007105384 /nfs/dbraw/zinc/10/53/84/1007105384.db2.gz YPBZODPRBJJYGO-RBUKOAKNSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535091330 1007105390 /nfs/dbraw/zinc/10/53/90/1007105390.db2.gz YPBZODPRBJJYGO-RBUKOAKNSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535092956 1007107073 /nfs/dbraw/zinc/10/70/73/1007107073.db2.gz AYLDTVUKGSXJNM-XZOQPEGZSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535092956 1007107079 /nfs/dbraw/zinc/10/70/79/1007107079.db2.gz AYLDTVUKGSXJNM-XZOQPEGZSA-N 2 2 408.590 3.573 20 0 HHADLP CCC(CC)n1nccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094583 1007109624 /nfs/dbraw/zinc/10/96/24/1007109624.db2.gz IXGSABNFKVNMFA-RTWAWAEBSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1nccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094583 1007109634 /nfs/dbraw/zinc/10/96/34/1007109634.db2.gz IXGSABNFKVNMFA-RTWAWAEBSA-N 2 2 403.615 3.653 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096083 1007113211 /nfs/dbraw/zinc/11/32/11/1007113211.db2.gz SDHPTCQWMZSIGX-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000535096083 1007113219 /nfs/dbraw/zinc/11/32/19/1007113219.db2.gz SDHPTCQWMZSIGX-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097567 1007115188 /nfs/dbraw/zinc/11/51/88/1007115188.db2.gz VLJXJZXUGTWDQW-PKTZIBPZSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097567 1007115194 /nfs/dbraw/zinc/11/51/94/1007115194.db2.gz VLJXJZXUGTWDQW-PKTZIBPZSA-N 2 2 421.589 3.553 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097400 1007115520 /nfs/dbraw/zinc/11/55/20/1007115520.db2.gz ZCSKUBQPRBRWRC-DHIUTWEWSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097400 1007115528 /nfs/dbraw/zinc/11/55/28/1007115528.db2.gz ZCSKUBQPRBRWRC-DHIUTWEWSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097405 1007115698 /nfs/dbraw/zinc/11/56/98/1007115698.db2.gz ZCSKUBQPRBRWRC-PKTZIBPZSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097405 1007115702 /nfs/dbraw/zinc/11/57/02/1007115702.db2.gz ZCSKUBQPRBRWRC-PKTZIBPZSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097406 1007115878 /nfs/dbraw/zinc/11/58/78/1007115878.db2.gz ZCSKUBQPRBRWRC-XZOQPEGZSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097406 1007115882 /nfs/dbraw/zinc/11/58/82/1007115882.db2.gz ZCSKUBQPRBRWRC-XZOQPEGZSA-N 2 2 417.642 3.647 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535098023 1007116521 /nfs/dbraw/zinc/11/65/21/1007116521.db2.gz BJJLMXAHIHBCOM-SFTDATJTSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535098023 1007116524 /nfs/dbraw/zinc/11/65/24/1007116524.db2.gz BJJLMXAHIHBCOM-SFTDATJTSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535098018 1007116607 /nfs/dbraw/zinc/11/66/07/1007116607.db2.gz BJJLMXAHIHBCOM-NHCUHLMSSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535098018 1007116609 /nfs/dbraw/zinc/11/66/09/1007116609.db2.gz BJJLMXAHIHBCOM-NHCUHLMSSA-N 2 2 407.986 3.514 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114368 1007140619 /nfs/dbraw/zinc/14/06/19/1007140619.db2.gz CHAGIEMZAXMQNZ-NDXORKPFSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114368 1007140625 /nfs/dbraw/zinc/14/06/25/1007140625.db2.gz CHAGIEMZAXMQNZ-NDXORKPFSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114368 1007140627 /nfs/dbraw/zinc/14/06/27/1007140627.db2.gz CHAGIEMZAXMQNZ-NDXORKPFSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114368 1007140632 /nfs/dbraw/zinc/14/06/32/1007140632.db2.gz CHAGIEMZAXMQNZ-NDXORKPFSA-N 2 2 422.976 3.598 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119799 1007151737 /nfs/dbraw/zinc/15/17/37/1007151737.db2.gz DDSPYEPIMDJBJM-FGZHOGPDSA-N 2 2 422.658 3.562 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119799 1007151744 /nfs/dbraw/zinc/15/17/44/1007151744.db2.gz DDSPYEPIMDJBJM-FGZHOGPDSA-N 2 2 422.658 3.562 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535121326 1007153651 /nfs/dbraw/zinc/15/36/51/1007153651.db2.gz KCPGCQYZAAYFCN-QTJGBDASSA-N 2 2 412.622 3.523 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535121326 1007153654 /nfs/dbraw/zinc/15/36/54/1007153654.db2.gz KCPGCQYZAAYFCN-QTJGBDASSA-N 2 2 412.622 3.523 20 0 HHADLP CCCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1OC ZINC000516578354 1007165674 /nfs/dbraw/zinc/16/56/74/1007165674.db2.gz HIEHVWXNCDIMIL-XSLAUPDRSA-N 2 2 417.594 3.608 20 0 HHADLP CCCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1OC ZINC000516578354 1007165678 /nfs/dbraw/zinc/16/56/78/1007165678.db2.gz HIEHVWXNCDIMIL-XSLAUPDRSA-N 2 2 417.594 3.608 20 0 HHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1OC ZINC000516578353 1007165745 /nfs/dbraw/zinc/16/57/45/1007165745.db2.gz HIEHVWXNCDIMIL-LBFURVHYSA-N 2 2 417.594 3.608 20 0 HHADLP CCCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1OC ZINC000516578353 1007165751 /nfs/dbraw/zinc/16/57/51/1007165751.db2.gz HIEHVWXNCDIMIL-LBFURVHYSA-N 2 2 417.594 3.608 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045274 1007341810 /nfs/dbraw/zinc/34/18/10/1007341810.db2.gz ILPILWMNFPAYSL-CDMIOBSGSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045274 1007341820 /nfs/dbraw/zinc/34/18/20/1007341820.db2.gz ILPILWMNFPAYSL-CDMIOBSGSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000539045706 1007342943 /nfs/dbraw/zinc/34/29/43/1007342943.db2.gz FHPMACHXZDAOAG-CVEARBPZSA-N 2 2 405.539 3.500 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000539049045 1007346002 /nfs/dbraw/zinc/34/60/02/1007346002.db2.gz ZQYGOWXDXOFNKU-BKSPAHHJSA-N 2 2 408.590 3.659 20 0 HHADLP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539078347 1007370194 /nfs/dbraw/zinc/37/01/94/1007370194.db2.gz OKLLBMLMXLJHBO-VABKMULXSA-N 2 2 421.589 3.598 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000517130047 1007444457 /nfs/dbraw/zinc/44/44/57/1007444457.db2.gz PBCQLVKPVHWSLM-LPHOPBHVSA-N 2 2 402.564 3.566 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085046 1007445840 /nfs/dbraw/zinc/44/58/40/1007445840.db2.gz YADBTEKDVAGOPK-VWNXMTODSA-N 2 2 417.557 3.665 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085046 1007445846 /nfs/dbraw/zinc/44/58/46/1007445846.db2.gz YADBTEKDVAGOPK-VWNXMTODSA-N 2 2 417.557 3.665 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169202 1007509082 /nfs/dbraw/zinc/50/90/82/1007509082.db2.gz FBTOCKNPINEVDH-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533169202 1007509091 /nfs/dbraw/zinc/50/90/91/1007509091.db2.gz FBTOCKNPINEVDH-UXHICEINSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533170018 1007509874 /nfs/dbraw/zinc/50/98/74/1007509874.db2.gz PRZBMKZTLMFJTP-MOPGFXCFSA-N 2 2 410.965 3.786 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533170018 1007509880 /nfs/dbraw/zinc/50/98/80/1007509880.db2.gz PRZBMKZTLMFJTP-MOPGFXCFSA-N 2 2 410.965 3.786 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4c3c(Br)ccc4F)ccn2)CC1 ZINC000535508253 1007563616 /nfs/dbraw/zinc/56/36/16/1007563616.db2.gz ORULMZKKOXPMGE-GOSISDBHSA-N 2 2 419.342 3.512 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2csc(N(C)C3CC3)n2)CC1 ZINC000539315705 1007614722 /nfs/dbraw/zinc/61/47/22/1007614722.db2.gz YANSBDXOVAXMBP-MRXNPFEDSA-N 2 2 417.598 3.874 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000533550145 1007869761 /nfs/dbraw/zinc/86/97/61/1007869761.db2.gz UMSIVVTVEPDUFJ-WOJBJXKFSA-N 2 2 414.509 3.959 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535856465 1007871548 /nfs/dbraw/zinc/87/15/48/1007871548.db2.gz VJTPEEVFZCICHX-AJSBUHFISA-N 2 2 407.643 3.910 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535856465 1007871553 /nfs/dbraw/zinc/87/15/53/1007871553.db2.gz VJTPEEVFZCICHX-AJSBUHFISA-N 2 2 407.643 3.910 20 0 HHADLP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000533563389 1007875450 /nfs/dbraw/zinc/87/54/50/1007875450.db2.gz PCPZZFMLVFACOI-VWLOTQADSA-N 2 2 422.573 3.729 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866394 1007882737 /nfs/dbraw/zinc/88/27/37/1007882737.db2.gz OANMYMGPGVSAHY-VXKWHMMOSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866394 1007882751 /nfs/dbraw/zinc/88/27/51/1007882751.db2.gz OANMYMGPGVSAHY-VXKWHMMOSA-N 2 2 421.029 3.861 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570899 1007887024 /nfs/dbraw/zinc/88/70/24/1007887024.db2.gz YDZWJVKXGKEJJR-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570899 1007887035 /nfs/dbraw/zinc/88/70/35/1007887035.db2.gz YDZWJVKXGKEJJR-ICSRJNTNSA-N 2 2 411.512 3.860 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646738 1007955478 /nfs/dbraw/zinc/95/54/78/1007955478.db2.gz GJRZMBJCCQDSGO-VXKWHMMOSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)CCSc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646738 1007955495 /nfs/dbraw/zinc/95/54/95/1007955495.db2.gz GJRZMBJCCQDSGO-VXKWHMMOSA-N 2 2 403.636 3.964 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648260 1007957192 /nfs/dbraw/zinc/95/71/92/1007957192.db2.gz LVJBSQYGOKXEPF-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648260 1007957200 /nfs/dbraw/zinc/95/72/00/1007957200.db2.gz LVJBSQYGOKXEPF-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648263 1007958014 /nfs/dbraw/zinc/95/80/14/1007958014.db2.gz LVJBSQYGOKXEPF-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648263 1007958021 /nfs/dbraw/zinc/95/80/21/1007958021.db2.gz LVJBSQYGOKXEPF-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662787 1007978224 /nfs/dbraw/zinc/97/82/24/1007978224.db2.gz MUBMSJJESWQYRJ-XZOQPEGZSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662787 1007978228 /nfs/dbraw/zinc/97/82/28/1007978228.db2.gz MUBMSJJESWQYRJ-XZOQPEGZSA-N 2 2 422.658 3.704 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665109 1007980491 /nfs/dbraw/zinc/98/04/91/1007980491.db2.gz OKZXOQIZKHJJTP-NYVOZVTQSA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665109 1007980497 /nfs/dbraw/zinc/98/04/97/1007980497.db2.gz OKZXOQIZKHJJTP-NYVOZVTQSA-N 2 2 420.667 3.905 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673379 1007992643 /nfs/dbraw/zinc/99/26/43/1007992643.db2.gz PXMUVOPHZXHQDA-XZOQPEGZSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673379 1007992651 /nfs/dbraw/zinc/99/26/51/1007992651.db2.gz PXMUVOPHZXHQDA-XZOQPEGZSA-N 2 2 418.601 3.737 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683801 1008008284 /nfs/dbraw/zinc/00/82/84/1008008284.db2.gz VECUXIMKBVEIBF-NDXORKPFSA-N 2 2 407.961 3.995 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683801 1008008293 /nfs/dbraw/zinc/00/82/93/1008008293.db2.gz VECUXIMKBVEIBF-NDXORKPFSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683801 1008008298 /nfs/dbraw/zinc/00/82/98/1008008298.db2.gz VECUXIMKBVEIBF-NDXORKPFSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683801 1008008304 /nfs/dbraw/zinc/00/83/04/1008008304.db2.gz VECUXIMKBVEIBF-NDXORKPFSA-N 2 2 407.961 3.995 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1)[NH+]1CCOCC1 ZINC000517903711 1008047090 /nfs/dbraw/zinc/04/70/90/1008047090.db2.gz UUFZFQAKDKELBL-FQEVSTJZSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000517904629 1008048261 /nfs/dbraw/zinc/04/82/61/1008048261.db2.gz RWLQNCMXNMTCFX-FQEVSTJZSA-N 2 2 414.594 3.810 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768220 1008093625 /nfs/dbraw/zinc/09/36/25/1008093625.db2.gz SGFUWHMSBURWRK-KNKQGSTJSA-N 2 2 409.578 3.597 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824429 1008135779 /nfs/dbraw/zinc/13/57/79/1008135779.db2.gz HOBYEISFSAPVRK-XZOQPEGZSA-N 2 2 403.530 3.727 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824429 1008135786 /nfs/dbraw/zinc/13/57/86/1008135786.db2.gz HOBYEISFSAPVRK-XZOQPEGZSA-N 2 2 403.530 3.727 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000518099799 1008158780 /nfs/dbraw/zinc/15/87/80/1008158780.db2.gz GZIRQASXMFVXRY-DENIHFKCSA-N 2 2 400.567 3.562 20 0 HHADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000539951297 1008202142 /nfs/dbraw/zinc/20/21/42/1008202142.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 3 2 400.998 3.833 20 0 HHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000539951297 1008202146 /nfs/dbraw/zinc/20/21/46/1008202146.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 3 2 400.998 3.833 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3sc(CCOC)nc3C)cc2)CC1 ZINC000539967486 1008212223 /nfs/dbraw/zinc/21/22/23/1008212223.db2.gz HAOOLGBRAXNWFI-SFHVURJKSA-N 2 2 416.635 3.629 20 0 HHADLP CC(C)COC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955345 1008231318 /nfs/dbraw/zinc/23/13/18/1008231318.db2.gz HLZARWPYIQNAGQ-FQEVSTJZSA-N 2 2 402.501 3.635 20 0 HHADLP CC(C)COC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955345 1008231322 /nfs/dbraw/zinc/23/13/22/1008231322.db2.gz HLZARWPYIQNAGQ-FQEVSTJZSA-N 2 2 402.501 3.635 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000533958699 1008233736 /nfs/dbraw/zinc/23/37/36/1008233736.db2.gz SUZBUBNQEVQTQQ-UPVQGACJSA-N 2 2 421.589 3.775 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533958699 1008233740 /nfs/dbraw/zinc/23/37/40/1008233740.db2.gz SUZBUBNQEVQTQQ-UPVQGACJSA-N 2 2 421.589 3.775 20 0 HHADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000518428060 1008301125 /nfs/dbraw/zinc/30/11/25/1008301125.db2.gz LRUFUHWYXIUCDJ-QFIPXVFZSA-N 2 2 413.587 3.746 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCCC2 ZINC000540174045 1008322711 /nfs/dbraw/zinc/32/27/11/1008322711.db2.gz DBMRKGOLVAKEOE-XXBNENTESA-N 2 2 421.589 3.512 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1)c1ccccc1 ZINC000540321554 1008379070 /nfs/dbraw/zinc/37/90/70/1008379070.db2.gz UVFPQQZPUNOJJY-ZWKOTPCHSA-N 2 2 401.576 3.648 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000540321680 1008379687 /nfs/dbraw/zinc/37/96/87/1008379687.db2.gz WVALLWWPEXLORW-UHFFFAOYSA-N 2 2 423.483 3.853 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000540321680 1008379688 /nfs/dbraw/zinc/37/96/88/1008379688.db2.gz WVALLWWPEXLORW-UHFFFAOYSA-N 2 2 423.483 3.853 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000540423186 1008427049 /nfs/dbraw/zinc/42/70/49/1008427049.db2.gz KKZIZGHFQUORDE-HXUWFJFHSA-N 2 2 415.541 3.533 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540431062 1008430492 /nfs/dbraw/zinc/43/04/92/1008430492.db2.gz XBRGRYICXQVHMX-IBGZPJMESA-N 2 2 424.564 3.612 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000540431062 1008430494 /nfs/dbraw/zinc/43/04/94/1008430494.db2.gz XBRGRYICXQVHMX-IBGZPJMESA-N 2 2 424.564 3.612 20 0 HHADLP COc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519041338 1008508882 /nfs/dbraw/zinc/50/88/82/1008508882.db2.gz MMAUNFNHFGNHDU-VXKWHMMOSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519041338 1008508885 /nfs/dbraw/zinc/50/88/85/1008508885.db2.gz MMAUNFNHFGNHDU-VXKWHMMOSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519041338 1008508888 /nfs/dbraw/zinc/50/88/88/1008508888.db2.gz MMAUNFNHFGNHDU-VXKWHMMOSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519041338 1008508890 /nfs/dbraw/zinc/50/88/90/1008508890.db2.gz MMAUNFNHFGNHDU-VXKWHMMOSA-N 2 2 402.542 3.835 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000548983170 1008560851 /nfs/dbraw/zinc/56/08/51/1008560851.db2.gz FVDXQUNMAJRKFR-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP O=C(CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)Nc1cccnc1 ZINC000549167418 1008740578 /nfs/dbraw/zinc/74/05/78/1008740578.db2.gz VELOMSKLXWSHLD-BJKOFHAPSA-N 2 2 400.526 3.668 20 0 HHADLP O=C(CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)Nc1cccnc1 ZINC000549167418 1008740593 /nfs/dbraw/zinc/74/05/93/1008740593.db2.gz VELOMSKLXWSHLD-BJKOFHAPSA-N 2 2 400.526 3.668 20 0 HHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000519561207 1008906315 /nfs/dbraw/zinc/90/63/15/1008906315.db2.gz TUIOOKVOZQCSKE-FSIMGJKHSA-N 2 2 409.496 3.782 20 0 HHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000519561207 1008906326 /nfs/dbraw/zinc/90/63/26/1008906326.db2.gz TUIOOKVOZQCSKE-FSIMGJKHSA-N 2 2 409.496 3.782 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000549377477 1008961262 /nfs/dbraw/zinc/96/12/62/1008961262.db2.gz HDBNLJQHIWCFEP-HUVFLSCGSA-N 2 2 402.542 3.612 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000549377477 1008961278 /nfs/dbraw/zinc/96/12/78/1008961278.db2.gz HDBNLJQHIWCFEP-HUVFLSCGSA-N 2 2 402.542 3.612 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-n2ccnc2)cs1 ZINC000543395591 1008986002 /nfs/dbraw/zinc/98/60/02/1008986002.db2.gz KXASSSNRPZHKSL-UHFFFAOYSA-N 3 2 401.624 3.562 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-n2ccnc2)cs1 ZINC000543395591 1008986015 /nfs/dbraw/zinc/98/60/15/1008986015.db2.gz KXASSSNRPZHKSL-UHFFFAOYSA-N 3 2 401.624 3.562 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000545954634 1009017729 /nfs/dbraw/zinc/01/77/29/1009017729.db2.gz YDTICULXVZRMTF-AUSIDOKSSA-N 2 2 416.525 3.906 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3cnccn3)[nH+]c2)CC1 ZINC000543428854 1009019816 /nfs/dbraw/zinc/01/98/16/1009019816.db2.gz GTSTYVOQHYWHIK-HSZRJFAPSA-N 2 2 406.509 3.743 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545969991 1009025608 /nfs/dbraw/zinc/02/56/08/1009025608.db2.gz LNZUPMGGXXJVLO-SHNULKBRSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545969991 1009025627 /nfs/dbraw/zinc/02/56/27/1009025627.db2.gz LNZUPMGGXXJVLO-SHNULKBRSA-N 2 2 412.622 3.911 20 0 HHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCn1cc[nH+]c1 ZINC000519988913 1009138248 /nfs/dbraw/zinc/13/82/48/1009138248.db2.gz RSKZBHINDXCAHF-UHFFFAOYSA-N 2 2 412.365 3.744 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558583 1009176590 /nfs/dbraw/zinc/17/65/90/1009176590.db2.gz IYIDVKZYEVBCTN-GPJHCHHRSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558583 1009176596 /nfs/dbraw/zinc/17/65/96/1009176596.db2.gz IYIDVKZYEVBCTN-GPJHCHHRSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558584 1009176720 /nfs/dbraw/zinc/17/67/20/1009176720.db2.gz IYIDVKZYEVBCTN-ODAXIHTASA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558584 1009176728 /nfs/dbraw/zinc/17/67/28/1009176728.db2.gz IYIDVKZYEVBCTN-ODAXIHTASA-N 2 2 416.585 3.660 20 0 HHADLP Cn1ccc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000543635567 1009240047 /nfs/dbraw/zinc/24/00/47/1009240047.db2.gz IETBGCYZRXURPK-UGKGYDQZSA-N 2 2 410.953 3.810 20 0 HHADLP CCc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000520188976 1009330091 /nfs/dbraw/zinc/33/00/91/1009330091.db2.gz ZERAFCJJFDUQCP-GOTSBHOMSA-N 2 2 411.615 3.758 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714259 1009343457 /nfs/dbraw/zinc/34/34/57/1009343457.db2.gz AHPJASYTQLVZIM-WMZOPIPTSA-N 2 2 405.612 3.571 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714259 1009343468 /nfs/dbraw/zinc/34/34/68/1009343468.db2.gz AHPJASYTQLVZIM-WMZOPIPTSA-N 2 2 405.612 3.571 20 0 HHADLP CCc1oc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C(=O)OC ZINC000549799742 1009406488 /nfs/dbraw/zinc/40/64/88/1009406488.db2.gz DOXLOMYHWWHTBD-IAGOWNOFSA-N 2 2 400.519 3.528 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840606 1009454595 /nfs/dbraw/zinc/45/45/95/1009454595.db2.gz LEBCFGBAYUFBFP-OAQYLSRUSA-N 2 2 409.496 3.614 20 0 HHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840606 1009454606 /nfs/dbraw/zinc/45/46/06/1009454606.db2.gz LEBCFGBAYUFBFP-OAQYLSRUSA-N 2 2 409.496 3.614 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840606 1009454611 /nfs/dbraw/zinc/45/46/11/1009454611.db2.gz LEBCFGBAYUFBFP-OAQYLSRUSA-N 2 2 409.496 3.614 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C2)C1 ZINC000549840606 1009454616 /nfs/dbraw/zinc/45/46/16/1009454616.db2.gz LEBCFGBAYUFBFP-OAQYLSRUSA-N 2 2 409.496 3.614 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000543968910 1009571678 /nfs/dbraw/zinc/57/16/78/1009571678.db2.gz IRHRUHNLIHQEMO-NRFANRHFSA-N 2 2 401.530 3.527 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000546618767 1009632465 /nfs/dbraw/zinc/63/24/65/1009632465.db2.gz IXMLDZFATOYNBC-UHFFFAOYSA-N 2 2 400.485 3.990 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544034733 1009635537 /nfs/dbraw/zinc/63/55/37/1009635537.db2.gz LJYGXDYSQRRHNL-MSOLQXFVSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544034733 1009635543 /nfs/dbraw/zinc/63/55/43/1009635543.db2.gz LJYGXDYSQRRHNL-MSOLQXFVSA-N 2 2 412.500 3.510 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000520576983 1009655866 /nfs/dbraw/zinc/65/58/66/1009655866.db2.gz HBQBUZYAEJHKCR-UHFFFAOYSA-N 2 2 418.601 3.695 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000520576983 1009655873 /nfs/dbraw/zinc/65/58/73/1009655873.db2.gz HBQBUZYAEJHKCR-UHFFFAOYSA-N 2 2 418.601 3.695 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000520581413 1009661274 /nfs/dbraw/zinc/66/12/74/1009661274.db2.gz UVCJEQHVZUAIGV-HSZRJFAPSA-N 2 2 412.553 3.583 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000520581413 1009661278 /nfs/dbraw/zinc/66/12/78/1009661278.db2.gz UVCJEQHVZUAIGV-HSZRJFAPSA-N 2 2 412.553 3.583 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520605461 1009682192 /nfs/dbraw/zinc/68/21/92/1009682192.db2.gz ZCMFAIDRYGUJMY-YRPNKDGESA-N 2 2 402.583 3.568 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520605461 1009682199 /nfs/dbraw/zinc/68/21/99/1009682199.db2.gz ZCMFAIDRYGUJMY-YRPNKDGESA-N 2 2 402.583 3.568 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000544366541 1009995011 /nfs/dbraw/zinc/99/50/11/1009995011.db2.gz VMGTYAYGINBLDU-SANMLTNESA-N 2 2 407.602 3.665 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)c1nccs1 ZINC000544410984 1010029740 /nfs/dbraw/zinc/02/97/40/1010029740.db2.gz KPNPLTXPSCCVIK-UXHICEINSA-N 2 2 416.591 3.536 20 0 HHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000521058790 1010079078 /nfs/dbraw/zinc/07/90/78/1010079078.db2.gz BIEXKDAHLBWJFL-PXNSSMCTSA-N 2 2 417.985 3.834 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000521203373 1010226637 /nfs/dbraw/zinc/22/66/37/1010226637.db2.gz WGXLURKDZRVXOI-PZJWPPBQSA-N 2 2 401.576 3.569 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000550894662 1010245406 /nfs/dbraw/zinc/24/54/06/1010245406.db2.gz JKDLKRKKKBHEPA-KITAHSCOSA-N 2 2 404.476 3.960 20 0 HHADLP O[C@H](C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000550894662 1010245419 /nfs/dbraw/zinc/24/54/19/1010245419.db2.gz JKDLKRKKKBHEPA-KITAHSCOSA-N 2 2 404.476 3.960 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)CC3 ZINC000547312669 1010248639 /nfs/dbraw/zinc/24/86/39/1010248639.db2.gz GZHGSUVJYTYJQI-AEFFLSMTSA-N 2 2 405.546 3.681 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)c2C1 ZINC000544718067 1010326719 /nfs/dbraw/zinc/32/67/19/1010326719.db2.gz VJPMRBXIBRIXTH-FQEVSTJZSA-N 2 2 414.553 3.617 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)c2C1 ZINC000544718067 1010326733 /nfs/dbraw/zinc/32/67/33/1010326733.db2.gz VJPMRBXIBRIXTH-FQEVSTJZSA-N 2 2 414.553 3.617 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2C1 ZINC000544718067 1010326746 /nfs/dbraw/zinc/32/67/46/1010326746.db2.gz VJPMRBXIBRIXTH-FQEVSTJZSA-N 2 2 414.553 3.617 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2C1 ZINC000544718067 1010326758 /nfs/dbraw/zinc/32/67/58/1010326758.db2.gz VJPMRBXIBRIXTH-FQEVSTJZSA-N 2 2 414.553 3.617 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547654079 1010383698 /nfs/dbraw/zinc/38/36/98/1010383698.db2.gz LFQBEBYJESCRBD-LEWJYISDSA-N 2 2 402.970 3.621 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547654079 1010383705 /nfs/dbraw/zinc/38/37/05/1010383705.db2.gz LFQBEBYJESCRBD-LEWJYISDSA-N 2 2 402.970 3.621 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275075 1010489060 /nfs/dbraw/zinc/48/90/60/1010489060.db2.gz OSIPLWFWAXHTMW-OXQOHEQNSA-N 2 2 408.464 3.698 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000551275075 1010489065 /nfs/dbraw/zinc/48/90/65/1010489065.db2.gz OSIPLWFWAXHTMW-OXQOHEQNSA-N 2 2 408.464 3.698 20 0 HHADLP COCC[N@@H+]1CC[C@H](Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC000521673434 1010540330 /nfs/dbraw/zinc/54/03/30/1010540330.db2.gz VVYXDMWKUMQRMQ-KRWDZBQOSA-N 2 2 411.575 3.553 20 0 HHADLP COCC[N@H+]1CC[C@H](Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC000521673434 1010540338 /nfs/dbraw/zinc/54/03/38/1010540338.db2.gz VVYXDMWKUMQRMQ-KRWDZBQOSA-N 2 2 411.575 3.553 20 0 HHADLP CCCCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000551529116 1010640036 /nfs/dbraw/zinc/64/00/36/1010640036.db2.gz BMXZMPZVNQIOFZ-FQEVSTJZSA-N 2 2 410.562 3.650 20 0 HHADLP O[C@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000551589928 1010681820 /nfs/dbraw/zinc/68/18/20/1010681820.db2.gz KJGTWPJWPRXVSO-QHCPKHFHSA-N 2 2 403.526 3.684 20 0 HHADLP O[C@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000551589928 1010681824 /nfs/dbraw/zinc/68/18/24/1010681824.db2.gz KJGTWPJWPRXVSO-QHCPKHFHSA-N 2 2 403.526 3.684 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551644561 1010717638 /nfs/dbraw/zinc/71/76/38/1010717638.db2.gz PYNPAVCPWIVALL-FOIQADDNSA-N 2 2 419.932 3.504 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551644561 1010717648 /nfs/dbraw/zinc/71/76/48/1010717648.db2.gz PYNPAVCPWIVALL-FOIQADDNSA-N 2 2 419.932 3.504 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703252 1010749795 /nfs/dbraw/zinc/74/97/95/1010749795.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703252 1010749802 /nfs/dbraw/zinc/74/98/02/1010749802.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703252 1010749809 /nfs/dbraw/zinc/74/98/09/1010749809.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703252 1010749811 /nfs/dbraw/zinc/74/98/11/1010749811.db2.gz VNNOYZNKNFGURY-HDYLNDSGSA-N 3 2 407.602 3.778 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919579 1010759953 /nfs/dbraw/zinc/75/99/53/1010759953.db2.gz ROJFBVUFKAJBAW-SJORKVTESA-N 2 2 403.571 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919579 1010759958 /nfs/dbraw/zinc/75/99/58/1010759958.db2.gz ROJFBVUFKAJBAW-SJORKVTESA-N 2 2 403.571 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919577 1010760143 /nfs/dbraw/zinc/76/01/43/1010760143.db2.gz ROJFBVUFKAJBAW-IRXDYDNUSA-N 2 2 403.571 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccccc4F)s3)C2)CC1 ZINC000548919577 1010760153 /nfs/dbraw/zinc/76/01/53/1010760153.db2.gz ROJFBVUFKAJBAW-IRXDYDNUSA-N 2 2 403.571 3.506 20 0 HHADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000548931659 1010766959 /nfs/dbraw/zinc/76/69/59/1010766959.db2.gz VWUIYZRLMPRFJC-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000548931659 1010766965 /nfs/dbraw/zinc/76/69/65/1010766965.db2.gz VWUIYZRLMPRFJC-JOCHJYFZSA-N 2 2 411.546 3.533 20 0 HHADLP CC(C)n1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000522136275 1010829642 /nfs/dbraw/zinc/82/96/42/1010829642.db2.gz IHYSEACUTIDMJO-UHFFFAOYSA-N 2 2 409.500 3.785 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000522471829 1011033102 /nfs/dbraw/zinc/03/31/02/1011033102.db2.gz MQLPLKKXRPGFIL-XMMPIXPASA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000522471829 1011033107 /nfs/dbraw/zinc/03/31/07/1011033107.db2.gz MQLPLKKXRPGFIL-XMMPIXPASA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000522471829 1011033112 /nfs/dbraw/zinc/03/31/12/1011033112.db2.gz MQLPLKKXRPGFIL-XMMPIXPASA-N 2 2 423.626 3.819 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000522471829 1011033118 /nfs/dbraw/zinc/03/31/18/1011033118.db2.gz MQLPLKKXRPGFIL-XMMPIXPASA-N 2 2 423.626 3.819 20 0 HHADLP CCCN(Cc1c(F)cccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000522694224 1011162249 /nfs/dbraw/zinc/16/22/49/1011162249.db2.gz TWWRWACMSALZKX-UHFFFAOYSA-N 2 2 424.992 3.959 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1Cl ZINC000522756248 1011197772 /nfs/dbraw/zinc/19/77/72/1011197772.db2.gz OTHYJDWWMRQLQA-CQSZACIVSA-N 2 2 413.393 3.912 20 0 HHADLP CC(C)C(=O)Nc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000536135145 1011258221 /nfs/dbraw/zinc/25/82/21/1011258221.db2.gz FZGVJALJZGXGIS-UHFFFAOYSA-N 2 2 414.981 3.976 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000540638716 1011287811 /nfs/dbraw/zinc/28/78/11/1011287811.db2.gz QQEXTEISSGGSMB-GHTZIAJQSA-N 2 2 411.550 3.535 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719401 1011371373 /nfs/dbraw/zinc/37/13/73/1011371373.db2.gz KLGMCCMYEOJKCO-RTBURBONSA-N 2 2 407.921 3.507 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719401 1011371384 /nfs/dbraw/zinc/37/13/84/1011371384.db2.gz KLGMCCMYEOJKCO-RTBURBONSA-N 2 2 407.921 3.507 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000536230800 1011379980 /nfs/dbraw/zinc/37/99/80/1011379980.db2.gz FZCCLIFPMLMTKT-UHFFFAOYSA-N 2 2 414.981 3.536 20 0 HHADLP CCCCOC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536379526 1011587947 /nfs/dbraw/zinc/58/79/47/1011587947.db2.gz VZLRONJEUFHLKW-QFIPXVFZSA-N 2 2 422.013 3.874 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523128711 1011596472 /nfs/dbraw/zinc/59/64/72/1011596472.db2.gz LERYNGUJMPAKGQ-VAMGGRTRSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523128711 1011596481 /nfs/dbraw/zinc/59/64/81/1011596481.db2.gz LERYNGUJMPAKGQ-VAMGGRTRSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ncc(Br)s1 ZINC000540988681 1011621633 /nfs/dbraw/zinc/62/16/33/1011621633.db2.gz LWAIUFWGSZLLHR-CZUORRHYSA-N 2 2 410.381 3.713 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ncc(Br)s1 ZINC000540988681 1011621645 /nfs/dbraw/zinc/62/16/45/1011621645.db2.gz LWAIUFWGSZLLHR-CZUORRHYSA-N 2 2 410.381 3.713 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000523191861 1011678052 /nfs/dbraw/zinc/67/80/52/1011678052.db2.gz WWASQZYUIBZZAQ-UHFFFAOYSA-N 2 2 409.559 3.645 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000536666758 1011820072 /nfs/dbraw/zinc/82/00/72/1011820072.db2.gz NYAZJJZMFBCWSH-NZQKXSOJSA-N 2 2 404.618 3.910 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000536666758 1011820088 /nfs/dbraw/zinc/82/00/88/1011820088.db2.gz NYAZJJZMFBCWSH-NZQKXSOJSA-N 2 2 404.618 3.910 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523365786 1011845219 /nfs/dbraw/zinc/84/52/19/1011845219.db2.gz MPQBCIUWBHPXCV-LJQANCHMSA-N 2 2 413.591 3.765 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523365786 1011845239 /nfs/dbraw/zinc/84/52/39/1011845239.db2.gz MPQBCIUWBHPXCV-LJQANCHMSA-N 2 2 413.591 3.765 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000536683376 1011846979 /nfs/dbraw/zinc/84/69/79/1011846979.db2.gz GMBCQVQWOFDSOG-UHFFFAOYSA-N 2 2 400.592 3.673 20 0 HHADLP C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000541248401 1011929446 /nfs/dbraw/zinc/92/94/46/1011929446.db2.gz CZMNVRZJHBIBIG-JTHBVZDNSA-N 2 2 412.622 3.914 20 0 HHADLP CC(C)C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000536864919 1012101221 /nfs/dbraw/zinc/10/12/21/1012101221.db2.gz STOXFXVZPCYYRF-YADHBBJMSA-N 2 2 409.578 3.659 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000541383539 1012102862 /nfs/dbraw/zinc/10/28/62/1012102862.db2.gz VJQRLOPUDZCKOP-OAHLLOKOSA-N 2 2 411.449 3.773 20 0 HHADLP Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000541389140 1012113151 /nfs/dbraw/zinc/11/31/51/1012113151.db2.gz NWPSXGJAOPIQAX-JOCHJYFZSA-N 2 2 407.558 3.564 20 0 HHADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000541389140 1012113162 /nfs/dbraw/zinc/11/31/62/1012113162.db2.gz NWPSXGJAOPIQAX-JOCHJYFZSA-N 2 2 407.558 3.564 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000536876042 1012119235 /nfs/dbraw/zinc/11/92/35/1012119235.db2.gz KYZXJKVGMOGPGY-FDDCHVKYSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000536876042 1012119243 /nfs/dbraw/zinc/11/92/43/1012119243.db2.gz KYZXJKVGMOGPGY-FDDCHVKYSA-N 2 2 415.603 3.792 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536904184 1012165228 /nfs/dbraw/zinc/16/52/28/1012165228.db2.gz IMFXQTTUKJIDPZ-UXHICEINSA-N 2 2 410.965 3.786 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536904184 1012165241 /nfs/dbraw/zinc/16/52/41/1012165241.db2.gz IMFXQTTUKJIDPZ-UXHICEINSA-N 2 2 410.965 3.786 20 0 HHADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933030 1012223604 /nfs/dbraw/zinc/22/36/04/1012223604.db2.gz GVMMRBABJVUQNP-IAGOWNOFSA-N 2 2 419.591 3.802 20 0 HHADLP O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000536998332 1012299610 /nfs/dbraw/zinc/29/96/10/1012299610.db2.gz PPZBIGDPDNXHLU-XMMPIXPASA-N 2 2 410.537 3.781 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000541536919 1012320440 /nfs/dbraw/zinc/32/04/40/1012320440.db2.gz DSXGQUDUNBRPJK-UHFFFAOYSA-N 2 2 415.463 3.912 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000541547428 1012334797 /nfs/dbraw/zinc/33/47/97/1012334797.db2.gz INZQQHHMBBJNKK-VWLOTQADSA-N 2 2 404.558 3.657 20 0 HHADLP Fc1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)c(F)c1 ZINC000541550667 1012336612 /nfs/dbraw/zinc/33/66/12/1012336612.db2.gz DDFGOCMWPYJUQT-VWLOTQADSA-N 2 2 422.523 3.857 20 0 HHADLP c1ccc(COCCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000541591210 1012382947 /nfs/dbraw/zinc/38/29/47/1012382947.db2.gz UZZWLXBUNVBBMQ-DEOSSOPVSA-N 2 2 408.590 3.523 20 0 HHADLP c1ccc(COCCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000541591210 1012382968 /nfs/dbraw/zinc/38/29/68/1012382968.db2.gz UZZWLXBUNVBBMQ-DEOSSOPVSA-N 2 2 408.590 3.523 20 0 HHADLP CC(C)C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000541627620 1012438882 /nfs/dbraw/zinc/43/88/82/1012438882.db2.gz RXFTYLCUGLUVSG-NRFANRHFSA-N 2 2 415.603 3.574 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1c(C)noc1C ZINC000541635263 1012450279 /nfs/dbraw/zinc/45/02/79/1012450279.db2.gz QMTQTIPUJYBOCP-JOCHJYFZSA-N 2 2 412.578 3.800 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CCCO)c3ccccc3)CC2)cc1 ZINC000537094377 1012455942 /nfs/dbraw/zinc/45/59/42/1012455942.db2.gz BKDYVJPOPITODC-RUZDIDTESA-N 2 2 423.601 3.558 20 0 HHADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000552561770 1012572850 /nfs/dbraw/zinc/57/28/50/1012572850.db2.gz BTQGSTHPPFSHNV-UHFFFAOYSA-N 2 2 407.558 3.509 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000523880335 1012579095 /nfs/dbraw/zinc/57/90/95/1012579095.db2.gz YNILLHFFRUASIO-SFHVURJKSA-N 2 2 409.559 3.645 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000523880335 1012579113 /nfs/dbraw/zinc/57/91/13/1012579113.db2.gz YNILLHFFRUASIO-SFHVURJKSA-N 2 2 409.559 3.645 20 0 HHADLP CCC[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000537228413 1012659511 /nfs/dbraw/zinc/65/95/11/1012659511.db2.gz DOCFTLODTRGZEL-QHCPKHFHSA-N 2 2 421.589 3.747 20 0 HHADLP CCC[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537228413 1012659522 /nfs/dbraw/zinc/65/95/22/1012659522.db2.gz DOCFTLODTRGZEL-QHCPKHFHSA-N 2 2 421.589 3.747 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+]2CCCC2)o1 ZINC000523939469 1012673571 /nfs/dbraw/zinc/67/35/71/1012673571.db2.gz ODOFOBSHLTYXKX-HXUWFJFHSA-N 2 2 411.481 3.549 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537243568 1012686076 /nfs/dbraw/zinc/68/60/76/1012686076.db2.gz RFMHAQYDCPBGIW-LEWJYISDSA-N 2 2 417.598 3.670 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537243568 1012686092 /nfs/dbraw/zinc/68/60/92/1012686092.db2.gz RFMHAQYDCPBGIW-LEWJYISDSA-N 2 2 417.598 3.670 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@H]3c3cccn3C)CC2)cc1 ZINC000537246109 1012690173 /nfs/dbraw/zinc/69/01/73/1012690173.db2.gz AHUXLFJWKVMOOO-DEOSSOPVSA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@H]3c3cccn3C)CC2)cc1 ZINC000537246109 1012690188 /nfs/dbraw/zinc/69/01/88/1012690188.db2.gz AHUXLFJWKVMOOO-DEOSSOPVSA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3c3cccn3C)CC2)cc1 ZINC000537246109 1012690208 /nfs/dbraw/zinc/69/02/08/1012690208.db2.gz AHUXLFJWKVMOOO-DEOSSOPVSA-N 2 2 408.590 3.595 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3c3cccn3C)CC2)cc1 ZINC000537246109 1012690216 /nfs/dbraw/zinc/69/02/16/1012690216.db2.gz AHUXLFJWKVMOOO-DEOSSOPVSA-N 2 2 408.590 3.595 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249318 1012695025 /nfs/dbraw/zinc/69/50/25/1012695025.db2.gz XODHOFBQGFGYSJ-UXHICEINSA-N 2 2 418.630 3.747 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249318 1012695034 /nfs/dbraw/zinc/69/50/34/1012695034.db2.gz XODHOFBQGFGYSJ-UXHICEINSA-N 2 2 418.630 3.747 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000552818074 1012828646 /nfs/dbraw/zinc/82/86/46/1012828646.db2.gz YJDBBZVDNNYRFD-XZOQPEGZSA-N 2 2 418.541 3.894 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000524120672 1012898305 /nfs/dbraw/zinc/89/83/05/1012898305.db2.gz QEVOOFRXLKZALW-UHFFFAOYSA-N 2 2 409.574 3.885 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000524120672 1012898318 /nfs/dbraw/zinc/89/83/18/1012898318.db2.gz QEVOOFRXLKZALW-UHFFFAOYSA-N 2 2 409.574 3.885 20 0 HHADLP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1)CC1CC1 ZINC000536738392 1072193504 /nfs/dbraw/zinc/19/35/04/1072193504.db2.gz RRYDNQCOFYMFQX-OAQYLSRUSA-N 2 2 405.533 3.904 20 0 HHADLP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1)CC1CC1 ZINC000536738392 1072193512 /nfs/dbraw/zinc/19/35/12/1072193512.db2.gz RRYDNQCOFYMFQX-OAQYLSRUSA-N 2 2 405.533 3.904 20 0 HHADLP C[NH+](C)C1CCC([N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)CC1 ZINC001168330647 1072509804 /nfs/dbraw/zinc/50/98/04/1072509804.db2.gz VDKUTAAHKJTPQV-UHFFFAOYSA-N 3 2 422.658 3.655 20 0 HHADLP C[NH+](C)C1CCC([N@@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C2CC[NH+](C)CC2)CC1 ZINC001168330647 1072509813 /nfs/dbraw/zinc/50/98/13/1072509813.db2.gz VDKUTAAHKJTPQV-UHFFFAOYSA-N 3 2 422.658 3.655 20 0 HHADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000554875743 1072918843 /nfs/dbraw/zinc/91/88/43/1072918843.db2.gz PNQLSBRZXMVPPB-UHFFFAOYSA-N 2 2 410.027 3.827 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000554944119 1072993632 /nfs/dbraw/zinc/99/36/32/1072993632.db2.gz JZLPSUVGWVHJFC-VXKWHMMOSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000554944119 1072993637 /nfs/dbraw/zinc/99/36/37/1072993637.db2.gz JZLPSUVGWVHJFC-VXKWHMMOSA-N 2 2 424.593 3.673 20 0 HHADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001649004495 1073162526 /nfs/dbraw/zinc/16/25/26/1073162526.db2.gz GYPPHPQNKSQHIJ-UHFFFAOYSA-N 3 2 415.622 3.532 20 0 HHADLP O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000555344225 1073355029 /nfs/dbraw/zinc/35/50/29/1073355029.db2.gz DOYWTLMAXWSIGJ-AREMUKBSSA-N 2 2 414.553 3.673 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(c4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000588976735 1073367738 /nfs/dbraw/zinc/36/77/38/1073367738.db2.gz WELYYKHJIPJTNW-UHFFFAOYSA-N 2 2 419.013 3.620 20 0 HHADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000590127103 1073574108 /nfs/dbraw/zinc/57/41/08/1073574108.db2.gz OBWDRKDRKKMDGR-REWPJTCUSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000590127103 1073574117 /nfs/dbraw/zinc/57/41/17/1073574117.db2.gz OBWDRKDRKKMDGR-REWPJTCUSA-N 2 2 407.558 3.738 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620832 1073686633 /nfs/dbraw/zinc/68/66/33/1073686633.db2.gz PRTLBNBVKTWPPS-UGKGYDQZSA-N 2 2 408.521 3.953 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620832 1073686640 /nfs/dbraw/zinc/68/66/40/1073686640.db2.gz PRTLBNBVKTWPPS-UGKGYDQZSA-N 2 2 408.521 3.953 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)n1-c1ccccc1 ZINC000568237354 1074142741 /nfs/dbraw/zinc/14/27/41/1074142741.db2.gz YZIANYFNMIYGSY-QHCPKHFHSA-N 2 2 417.557 3.959 20 0 HHADLP Cc1[nH+]cc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)n1-c1ccccc1 ZINC000568237354 1074142742 /nfs/dbraw/zinc/14/27/42/1074142742.db2.gz YZIANYFNMIYGSY-QHCPKHFHSA-N 2 2 417.557 3.959 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000591479843 1074336168 /nfs/dbraw/zinc/33/61/68/1074336168.db2.gz VLLJNZHDYOFULB-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP C[C@H](NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000591479843 1074336174 /nfs/dbraw/zinc/33/61/74/1074336174.db2.gz VLLJNZHDYOFULB-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591523749 1074365262 /nfs/dbraw/zinc/36/52/62/1074365262.db2.gz JUSBYLUSPXZRDF-NRFANRHFSA-N 2 2 422.573 3.820 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591523749 1074365272 /nfs/dbraw/zinc/36/52/72/1074365272.db2.gz JUSBYLUSPXZRDF-NRFANRHFSA-N 2 2 422.573 3.820 20 0 HHADLP CC(C)[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000591523500 1074365938 /nfs/dbraw/zinc/36/59/38/1074365938.db2.gz OYXLIUYMCQTJGE-REWPJTCUSA-N 2 2 416.610 3.958 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573533781 1074520912 /nfs/dbraw/zinc/52/09/12/1074520912.db2.gz UBBIEFXMOQIFDW-JOCHJYFZSA-N 2 2 417.557 3.974 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573533781 1074520917 /nfs/dbraw/zinc/52/09/17/1074520917.db2.gz UBBIEFXMOQIFDW-JOCHJYFZSA-N 2 2 417.557 3.974 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000592559494 1074789513 /nfs/dbraw/zinc/78/95/13/1074789513.db2.gz MOKKXSGXEKWOOD-FQEVSTJZSA-N 2 2 415.969 3.795 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000593292517 1075189772 /nfs/dbraw/zinc/18/97/72/1075189772.db2.gz CTWRYHWPZLZBJR-CVDCTZTESA-N 2 2 406.555 3.756 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000593292517 1075189776 /nfs/dbraw/zinc/18/97/76/1075189776.db2.gz CTWRYHWPZLZBJR-CVDCTZTESA-N 2 2 406.555 3.756 20 0 HHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474329 1075618350 /nfs/dbraw/zinc/61/83/50/1075618350.db2.gz NIDKIBVUIVWSSM-QFIPXVFZSA-N 2 2 406.574 3.979 20 0 HHADLP Cc1ccc(Nc2ccccc2C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601474329 1075618351 /nfs/dbraw/zinc/61/83/51/1075618351.db2.gz NIDKIBVUIVWSSM-QFIPXVFZSA-N 2 2 406.574 3.979 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000601475371 1075619306 /nfs/dbraw/zinc/61/93/06/1075619306.db2.gz YOGVATJGLBOKMB-QFIPXVFZSA-N 2 2 400.611 3.851 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000601475371 1075619307 /nfs/dbraw/zinc/61/93/07/1075619307.db2.gz YOGVATJGLBOKMB-QFIPXVFZSA-N 2 2 400.611 3.851 20 0 HHADLP CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477138 1075619582 /nfs/dbraw/zinc/61/95/82/1075619582.db2.gz CJWSZKUKYBOOPQ-XMMPIXPASA-N 2 2 405.586 3.836 20 0 HHADLP CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477138 1075619585 /nfs/dbraw/zinc/61/95/85/1075619585.db2.gz CJWSZKUKYBOOPQ-XMMPIXPASA-N 2 2 405.586 3.836 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476419 1075619760 /nfs/dbraw/zinc/61/97/60/1075619760.db2.gz DOAVZQCYTOLCHG-HNAYVOBHSA-N 2 2 412.405 3.799 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476419 1075619762 /nfs/dbraw/zinc/61/97/62/1075619762.db2.gz DOAVZQCYTOLCHG-HNAYVOBHSA-N 2 2 412.405 3.799 20 0 HHADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000601476868 1075619995 /nfs/dbraw/zinc/61/99/95/1075619995.db2.gz AVUBSCUFIPKPRO-NRFANRHFSA-N 2 2 417.594 3.505 20 0 HHADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OCC ZINC000601476868 1075619996 /nfs/dbraw/zinc/61/99/96/1075619996.db2.gz AVUBSCUFIPKPRO-NRFANRHFSA-N 2 2 417.594 3.505 20 0 HHADLP CN(C(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478404 1075620528 /nfs/dbraw/zinc/62/05/28/1075620528.db2.gz LSLZYMFFFCFCNE-OAQYLSRUSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478404 1075620530 /nfs/dbraw/zinc/62/05/30/1075620530.db2.gz LSLZYMFFFCFCNE-OAQYLSRUSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)CCn1c2ccccc2c2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479913 1075621546 /nfs/dbraw/zinc/62/15/46/1075621546.db2.gz YGYKJLFVWLEOCV-OAQYLSRUSA-N 2 2 418.585 3.812 20 0 HHADLP CN(C(=O)CCn1c2ccccc2c2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479913 1075621549 /nfs/dbraw/zinc/62/15/49/1075621549.db2.gz YGYKJLFVWLEOCV-OAQYLSRUSA-N 2 2 418.585 3.812 20 0 HHADLP CN(C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669607355 1075639813 /nfs/dbraw/zinc/63/98/13/1075639813.db2.gz GEGOGAADFIREMV-FYYLOGMGSA-N 2 2 412.622 3.900 20 0 HHADLP CN(C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669607355 1075639815 /nfs/dbraw/zinc/63/98/15/1075639815.db2.gz GEGOGAADFIREMV-FYYLOGMGSA-N 2 2 412.622 3.900 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000602200606 1075717109 /nfs/dbraw/zinc/71/71/09/1075717109.db2.gz DRYDKXKISLMXBS-LJQANCHMSA-N 2 2 424.614 3.748 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000602200606 1075717111 /nfs/dbraw/zinc/71/71/11/1075717111.db2.gz DRYDKXKISLMXBS-LJQANCHMSA-N 2 2 424.614 3.748 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)CC1 ZINC000602202202 1075717985 /nfs/dbraw/zinc/71/79/85/1075717985.db2.gz XRBPVHCEGMQHTE-QGZVFWFLSA-N 2 2 418.006 3.870 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)CC1 ZINC000602202202 1075717988 /nfs/dbraw/zinc/71/79/88/1075717988.db2.gz XRBPVHCEGMQHTE-QGZVFWFLSA-N 2 2 418.006 3.870 20 0 HHADLP Brc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000020477832 558374418 /nfs/dbraw/zinc/37/44/18/558374418.db2.gz MEXFZBKVGVWDFC-UHFFFAOYSA-N 2 2 419.363 3.840 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164664154 719346374 /nfs/dbraw/zinc/34/63/74/719346374.db2.gz SNGNRRZWIMVNFP-UHFFFAOYSA-N 2 2 416.573 3.842 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164664154 719346376 /nfs/dbraw/zinc/34/63/76/719346376.db2.gz SNGNRRZWIMVNFP-UHFFFAOYSA-N 2 2 416.573 3.842 20 0 HHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164712477 720147805 /nfs/dbraw/zinc/14/78/05/720147805.db2.gz MNBHHZNRYGBWEA-OAQYLSRUSA-N 2 2 423.605 3.985 20 0 HHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164712477 720147808 /nfs/dbraw/zinc/14/78/08/720147808.db2.gz MNBHHZNRYGBWEA-OAQYLSRUSA-N 2 2 423.605 3.985 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001164819277 720306260 /nfs/dbraw/zinc/30/62/60/720306260.db2.gz DHMMUJSQNKWCKF-DHIUTWEWSA-N 2 2 404.558 3.660 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1NCC1CC1 ZINC001164838278 720656165 /nfs/dbraw/zinc/65/61/65/720656165.db2.gz GZKDWITYQUTJQR-QFIPXVFZSA-N 2 2 421.589 3.867 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1NCC1CC1 ZINC001164838278 720656179 /nfs/dbraw/zinc/65/61/79/720656179.db2.gz GZKDWITYQUTJQR-QFIPXVFZSA-N 2 2 421.589 3.867 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164839829 720712041 /nfs/dbraw/zinc/71/20/41/720712041.db2.gz NMMMELZKGPZNNY-QFIPXVFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164839829 720712050 /nfs/dbraw/zinc/71/20/50/720712050.db2.gz NMMMELZKGPZNNY-QFIPXVFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164839829 720712063 /nfs/dbraw/zinc/71/20/63/720712063.db2.gz NMMMELZKGPZNNY-QFIPXVFZSA-N 2 2 421.589 3.727 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164839829 720712071 /nfs/dbraw/zinc/71/20/71/720712071.db2.gz NMMMELZKGPZNNY-QFIPXVFZSA-N 2 2 421.589 3.727 20 0 HHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(-n5cncn5)nc(C)[nH+]4)CC3)CC2)cc1 ZINC001164760641 721046505 /nfs/dbraw/zinc/04/65/05/721046505.db2.gz ZEXCEMBZOMBNHN-UHFFFAOYSA-N 2 2 417.561 3.557 20 0 HHADLP c1csc(C[NH+]2C[C@@H]3CN(c4[nH+]cnc5c4ccn5Cc4ccccc4)C[C@H]3C2)n1 ZINC001164783365 721413884 /nfs/dbraw/zinc/41/38/84/721413884.db2.gz HZYYMXZCUJDVHK-RTBURBONSA-N 2 2 416.554 3.504 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1NCC1CC1 ZINC001164792579 721489246 /nfs/dbraw/zinc/48/92/46/721489246.db2.gz KYLXLYZVKMWVJY-UHFFFAOYSA-N 2 2 406.578 3.883 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1NCC1CC1 ZINC001164792579 721489248 /nfs/dbraw/zinc/48/92/48/721489248.db2.gz KYLXLYZVKMWVJY-UHFFFAOYSA-N 2 2 406.578 3.883 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nc[nH+]2)C1 ZINC001165026334 721827594 /nfs/dbraw/zinc/82/75/94/721827594.db2.gz OVLIMHOKNMGNKK-SKWRMQMOSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc[nH+]2)C1 ZINC001165026334 721827596 /nfs/dbraw/zinc/82/75/96/721827596.db2.gz OVLIMHOKNMGNKK-SKWRMQMOSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cn2)C1 ZINC001165026334 721827597 /nfs/dbraw/zinc/82/75/97/721827597.db2.gz OVLIMHOKNMGNKK-SKWRMQMOSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]cn2)C1 ZINC001165026334 721827598 /nfs/dbraw/zinc/82/75/98/721827598.db2.gz OVLIMHOKNMGNKK-SKWRMQMOSA-N 2 2 420.605 3.845 20 0 HHADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048236 721970841 /nfs/dbraw/zinc/97/08/41/721970841.db2.gz NAQVLWPEDZUYQS-SFHVURJKSA-N 2 2 413.566 3.823 20 0 HHADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164950725 722006613 /nfs/dbraw/zinc/00/66/13/722006613.db2.gz FTLURIBZLYJMDZ-UHFFFAOYSA-N 2 2 414.557 3.801 20 0 HHADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164950725 722006616 /nfs/dbraw/zinc/00/66/16/722006616.db2.gz FTLURIBZLYJMDZ-UHFFFAOYSA-N 2 2 414.557 3.801 20 0 HHADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C(C)(C)C)[nH+]1 ZINC001164961504 722060307 /nfs/dbraw/zinc/06/03/07/722060307.db2.gz LBEMKYSHMCXVPO-UHFFFAOYSA-N 2 2 409.578 3.597 20 0 HHADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C(C)(C)C)[nH+]1 ZINC001164961504 722060308 /nfs/dbraw/zinc/06/03/08/722060308.db2.gz LBEMKYSHMCXVPO-UHFFFAOYSA-N 2 2 409.578 3.597 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CC1 ZINC000301202764 970804814 /nfs/dbraw/zinc/80/48/14/970804814.db2.gz NEMVQWYPJSZWNW-UHFFFAOYSA-N 2 2 400.954 3.659 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221004 970815997 /nfs/dbraw/zinc/81/59/97/970815997.db2.gz AFHNHIILUCUJAV-MZKRTTBSSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221004 970816008 /nfs/dbraw/zinc/81/60/08/970816008.db2.gz AFHNHIILUCUJAV-MZKRTTBSSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221004 970816016 /nfs/dbraw/zinc/81/60/16/970816016.db2.gz AFHNHIILUCUJAV-MZKRTTBSSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221004 970816026 /nfs/dbraw/zinc/81/60/26/970816026.db2.gz AFHNHIILUCUJAV-MZKRTTBSSA-N 2 2 423.605 3.775 20 0 HHADLP Brc1ccc2c(NC[C@@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301309357 970860803 /nfs/dbraw/zinc/86/08/03/970860803.db2.gz DXDBETABXJUMFL-SFHVURJKSA-N 2 2 408.365 3.617 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000301660736 971018540 /nfs/dbraw/zinc/01/85/40/971018540.db2.gz JKNRVEOICABEJJ-UHFFFAOYSA-N 2 2 411.546 3.577 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc[nH+]c12 ZINC000302558469 971255822 /nfs/dbraw/zinc/25/58/22/971255822.db2.gz SSMGBXIMEQAREO-LJQANCHMSA-N 2 2 404.514 3.553 20 0 HHADLP COc1cccc2c(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc[nH+]c12 ZINC000302558469 971255828 /nfs/dbraw/zinc/25/58/28/971255828.db2.gz SSMGBXIMEQAREO-LJQANCHMSA-N 2 2 404.514 3.553 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302795023 971321020 /nfs/dbraw/zinc/32/10/20/971321020.db2.gz OHXAOERRAFDVTL-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302795023 971321045 /nfs/dbraw/zinc/32/10/45/971321045.db2.gz OHXAOERRAFDVTL-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302795023 971321050 /nfs/dbraw/zinc/32/10/50/971321050.db2.gz OHXAOERRAFDVTL-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302795023 971321053 /nfs/dbraw/zinc/32/10/53/971321053.db2.gz OHXAOERRAFDVTL-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH+]cn1 ZINC000302886485 971372529 /nfs/dbraw/zinc/37/25/29/971372529.db2.gz LJMRQFIELBNNPN-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc[nH+]1 ZINC000302886485 971372538 /nfs/dbraw/zinc/37/25/38/971372538.db2.gz LJMRQFIELBNNPN-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)CC1 ZINC000542168169 1013105846 /nfs/dbraw/zinc/10/58/46/1013105846.db2.gz JNXFPJCDOZPZGS-UHFFFAOYSA-N 2 2 423.605 3.746 20 0 HHADLP CN1C(=O)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542307566 1013264375 /nfs/dbraw/zinc/26/43/75/1013264375.db2.gz UBCSRKXKDARLOJ-PKOBYXMFSA-N 2 2 404.898 3.788 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3nc4c(s3)C[N@H+](C(C)C)CC4)CC2)cs1 ZINC000542387072 1013341288 /nfs/dbraw/zinc/34/12/88/1013341288.db2.gz KSKQMIZEOPICOT-UHFFFAOYSA-N 2 2 419.620 3.525 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3nc4c(s3)C[N@@H+](C(C)C)CC4)CC2)cs1 ZINC000542387072 1013341295 /nfs/dbraw/zinc/34/12/95/1013341295.db2.gz KSKQMIZEOPICOT-UHFFFAOYSA-N 2 2 419.620 3.525 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000542481499 1013430205 /nfs/dbraw/zinc/43/02/05/1013430205.db2.gz ZATSEEHHDCZHLH-QHCPKHFHSA-N 2 2 408.521 3.737 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000025058742 964157960 /nfs/dbraw/zinc/15/79/60/964157960.db2.gz BAEUOLNBTPMKBF-SZPZYZBQSA-N 2 2 421.585 3.562 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000025058742 964157966 /nfs/dbraw/zinc/15/79/66/964157966.db2.gz BAEUOLNBTPMKBF-SZPZYZBQSA-N 2 2 421.585 3.562 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000025058737 964158123 /nfs/dbraw/zinc/15/81/23/964158123.db2.gz BAEUOLNBTPMKBF-FGZHOGPDSA-N 2 2 421.585 3.562 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000050137745 964275536 /nfs/dbraw/zinc/27/55/36/964275536.db2.gz FNOWSFMNGUKFKZ-GOSISDBHSA-N 2 2 416.591 3.822 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000050137745 964275546 /nfs/dbraw/zinc/27/55/46/964275546.db2.gz FNOWSFMNGUKFKZ-GOSISDBHSA-N 2 2 416.591 3.822 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050799618 964401370 /nfs/dbraw/zinc/40/13/70/964401370.db2.gz NVFRVIOAGRITKW-UHFFFAOYSA-N 2 2 403.636 3.751 20 0 HHADLP Cc1ccc(C(=O)c2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050799443 964401649 /nfs/dbraw/zinc/40/16/49/964401649.db2.gz NDKDGJGUONHAHY-UHFFFAOYSA-N 2 2 419.569 3.514 20 0 HHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1OC ZINC000026309285 964520626 /nfs/dbraw/zinc/52/06/26/964520626.db2.gz WOGLAKCGKMPZFL-UHFFFAOYSA-N 2 2 417.513 3.602 20 0 HHADLP Cc1ccc(OCc2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)c(C)c1 ZINC000053111896 965063710 /nfs/dbraw/zinc/06/37/10/965063710.db2.gz JLDSVFGYZZTTSG-UHFFFAOYSA-N 2 2 413.562 3.573 20 0 HHADLP Cc1ccc(OCc2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)c(C)c1 ZINC000053111896 965063722 /nfs/dbraw/zinc/06/37/22/965063722.db2.gz JLDSVFGYZZTTSG-UHFFFAOYSA-N 2 2 413.562 3.573 20 0 HHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000537986984 1013561338 /nfs/dbraw/zinc/56/13/38/1013561338.db2.gz MTTWJPVDKMRGOM-MBSDFSHPSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000537986984 1013561343 /nfs/dbraw/zinc/56/13/43/1013561343.db2.gz MTTWJPVDKMRGOM-MBSDFSHPSA-N 2 2 415.603 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651247 1013581653 /nfs/dbraw/zinc/58/16/53/1013581653.db2.gz OWVVCUAIGCZULQ-GMAHTHKFSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651247 1013581660 /nfs/dbraw/zinc/58/16/60/1013581660.db2.gz OWVVCUAIGCZULQ-GMAHTHKFSA-N 2 2 401.514 3.572 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000538044319 1013616782 /nfs/dbraw/zinc/61/67/82/1013616782.db2.gz DGYIMQWPZAMARX-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000538044319 1013616786 /nfs/dbraw/zinc/61/67/86/1013616786.db2.gz DGYIMQWPZAMARX-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542715131 1013627517 /nfs/dbraw/zinc/62/75/17/1013627517.db2.gz NSFYOZAFQRUEAY-JXFKEZNVSA-N 2 2 424.992 3.988 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061022164 966353436 /nfs/dbraw/zinc/35/34/36/966353436.db2.gz UAAZOJCEWJSGTP-UHFFFAOYSA-N 2 2 423.586 3.704 20 0 HHADLP COc1cccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)c1 ZINC000056894492 966506658 /nfs/dbraw/zinc/50/66/58/966506658.db2.gz WXMLCDDRTWRXLK-QHCPKHFHSA-N 2 2 419.529 3.517 20 0 HHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894572 966506823 /nfs/dbraw/zinc/50/68/23/966506823.db2.gz VMSAAJXPBIJOMR-UHFFFAOYSA-N 2 2 411.575 3.987 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790423 966554125 /nfs/dbraw/zinc/55/41/25/966554125.db2.gz AZKPWWJWKWYNAS-UHFFFAOYSA-N 2 2 421.570 3.802 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791576 966555452 /nfs/dbraw/zinc/55/54/52/966555452.db2.gz VGBGHARHCUDDMM-UHFFFAOYSA-N 2 2 421.570 3.785 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000542762972 1013668025 /nfs/dbraw/zinc/66/80/25/1013668025.db2.gz OJIALHBLWMXECO-UHFFFAOYSA-N 2 2 412.537 3.676 20 0 HHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517237 966988882 /nfs/dbraw/zinc/98/88/82/966988882.db2.gz RGZFUNLYHLAZGF-UHFFFAOYSA-N 2 2 401.580 3.725 20 0 HHADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccccc1 ZINC000553951309 1013718758 /nfs/dbraw/zinc/71/87/58/1013718758.db2.gz INNZOTBGRQWJSB-QFIPXVFZSA-N 2 2 409.530 3.898 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000065304354 967433419 /nfs/dbraw/zinc/43/34/19/967433419.db2.gz JTFJYJLUAWJPCM-UHFFFAOYSA-N 2 2 410.562 3.938 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000538163197 1013724534 /nfs/dbraw/zinc/72/45/34/1013724534.db2.gz HERHHQINEIKFFI-GOSISDBHSA-N 2 2 401.576 3.530 20 0 HHADLP c1ccc(-c2cccc3c2OCC[C@H]3[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000542907519 1013749049 /nfs/dbraw/zinc/74/90/49/1013749049.db2.gz LEZTXGPAJRUPTQ-RUZDIDTESA-N 2 2 421.585 3.563 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196460 1013752970 /nfs/dbraw/zinc/75/29/70/1013752970.db2.gz IKONKFZGHAICTA-GJZUVCINSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196460 1013752974 /nfs/dbraw/zinc/75/29/74/1013752974.db2.gz IKONKFZGHAICTA-GJZUVCINSA-N 3 2 422.617 3.599 20 0 HHADLP CCCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000538201233 1013756049 /nfs/dbraw/zinc/75/60/49/1013756049.db2.gz KMYVLEISUXWTAN-QFIPXVFZSA-N 2 2 410.562 3.650 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000046926422 968011545 /nfs/dbraw/zinc/01/15/45/968011545.db2.gz OBWNSPZQONSHJO-RTBURBONSA-N 2 2 410.562 3.679 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047500573 968213423 /nfs/dbraw/zinc/21/34/23/968213423.db2.gz KJNWSXGGJBBICS-UHFFFAOYSA-N 2 2 403.530 3.722 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000047675971 968274990 /nfs/dbraw/zinc/27/49/90/968274990.db2.gz REFCNDUQULGAPM-UHFFFAOYSA-N 2 2 401.526 3.503 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000047675971 968275000 /nfs/dbraw/zinc/27/50/00/968275000.db2.gz REFCNDUQULGAPM-UHFFFAOYSA-N 2 2 401.526 3.503 20 0 HHADLP C[NH+](C)C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1 ZINC000554108982 1013801164 /nfs/dbraw/zinc/80/11/64/1013801164.db2.gz KHWZRHUJLKEDHX-GOSISDBHSA-N 2 2 405.543 3.693 20 0 HHADLP CC(C)[C@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000048507105 968581774 /nfs/dbraw/zinc/58/17/74/968581774.db2.gz UQDZHVAZDIGFSQ-QFIPXVFZSA-N 2 2 411.594 3.530 20 0 HHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000108126673 969359271 /nfs/dbraw/zinc/35/92/71/969359271.db2.gz CAULGXQGHDJOOJ-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cc(Cl)cc(Cl)c1 ZINC000108126673 969359277 /nfs/dbraw/zinc/35/92/77/969359277.db2.gz CAULGXQGHDJOOJ-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cs1 ZINC000110443164 969668966 /nfs/dbraw/zinc/66/89/66/969668966.db2.gz KZUQMPUWDALZQP-HXUWFJFHSA-N 2 2 416.591 3.600 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4c[nH]c5ccccc54)CC3)CC2)CC1 ZINC000215985598 970058642 /nfs/dbraw/zinc/05/86/42/970058642.db2.gz YPVYWLYNBQMHKZ-UHFFFAOYSA-N 2 2 423.605 3.616 20 0 HHADLP Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cn2)cc1 ZINC000215996181 970059714 /nfs/dbraw/zinc/05/97/14/970059714.db2.gz YVDSKSXEQWJSIF-UHFFFAOYSA-N 2 2 423.561 3.862 20 0 HHADLP O=C(NCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000236667997 970153031 /nfs/dbraw/zinc/15/30/31/970153031.db2.gz GFZSWDDLUIBLHI-UHFFFAOYSA-N 2 2 413.319 3.545 20 0 HHADLP c1nn(-c2ccccc2)cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236698900 970157810 /nfs/dbraw/zinc/15/78/10/970157810.db2.gz FNKQFBLPUVGZNB-UHFFFAOYSA-N 2 2 403.574 3.560 20 0 HHADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000236732917 970164988 /nfs/dbraw/zinc/16/49/88/970164988.db2.gz MSMQMJFNRCEXHR-UHFFFAOYSA-N 2 2 401.308 3.800 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000237096027 970221296 /nfs/dbraw/zinc/22/12/96/970221296.db2.gz VUJGWSKTMGQGNZ-NRFANRHFSA-N 2 2 410.587 3.860 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000237096027 970221305 /nfs/dbraw/zinc/22/13/05/970221305.db2.gz VUJGWSKTMGQGNZ-NRFANRHFSA-N 2 2 410.587 3.860 20 0 HHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000237096101 970221404 /nfs/dbraw/zinc/22/14/04/970221404.db2.gz COUSBQKGCJZKLB-XMMPIXPASA-N 2 2 402.538 3.871 20 0 HHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000237096101 970221414 /nfs/dbraw/zinc/22/14/14/970221414.db2.gz COUSBQKGCJZKLB-XMMPIXPASA-N 2 2 402.538 3.871 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237394084 970276367 /nfs/dbraw/zinc/27/63/67/970276367.db2.gz ZNRSDVWJUZZRRK-IBGZPJMESA-N 2 2 403.530 3.979 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237438514 970288924 /nfs/dbraw/zinc/28/89/24/970288924.db2.gz XHVAZLKTCZATSF-LJQANCHMSA-N 2 2 415.628 3.957 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)C2([NH3+])CCCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237438514 970288927 /nfs/dbraw/zinc/28/89/27/970288927.db2.gz XHVAZLKTCZATSF-LJQANCHMSA-N 2 2 415.628 3.957 20 0 HHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)nc12 ZINC000237571566 970314877 /nfs/dbraw/zinc/31/48/77/970314877.db2.gz ADKXAFFLMSJSEI-NHCUHLMSSA-N 2 2 422.573 3.811 20 0 HHADLP Cc1cn2c(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c(C)nc2s1 ZINC000237916590 970394104 /nfs/dbraw/zinc/39/41/04/970394104.db2.gz IKCHKSVWYQUZHA-UHFFFAOYSA-N 2 2 411.619 3.700 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1)C[NH+]1CCCC1 ZINC000237961779 970406056 /nfs/dbraw/zinc/40/60/56/970406056.db2.gz FNDJWLALUKKUDG-LJQANCHMSA-N 2 2 419.363 3.574 20 0 HHADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000303951805 972533697 /nfs/dbraw/zinc/53/36/97/972533697.db2.gz TYVFGDWGTBAHSU-INIZCTEOSA-N 2 2 411.512 3.874 20 0 HHADLP CC(C)c1cccc(O[C@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000303966738 972552659 /nfs/dbraw/zinc/55/26/59/972552659.db2.gz QNXLDWOBCQZNMO-HXUWFJFHSA-N 2 2 401.595 3.644 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000409478051 972928156 /nfs/dbraw/zinc/92/81/56/972928156.db2.gz YZLZTGCYXCVASQ-OAQYLSRUSA-N 2 2 407.493 3.648 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554844403 1014072006 /nfs/dbraw/zinc/07/20/06/1014072006.db2.gz WILVPWBYXUMOPK-JOCHJYFZSA-N 2 2 423.557 3.610 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554844403 1014072010 /nfs/dbraw/zinc/07/20/10/1014072010.db2.gz WILVPWBYXUMOPK-JOCHJYFZSA-N 2 2 423.557 3.610 20 0 HHADLP C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000410138572 973626602 /nfs/dbraw/zinc/62/66/02/973626602.db2.gz GHVLJUCUATVHEY-UHFFFAOYSA-N 2 2 409.921 3.589 20 0 HHADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279945 973801489 /nfs/dbraw/zinc/80/14/89/973801489.db2.gz SVJOZMHRCBKUCG-UGKGYDQZSA-N 2 2 410.537 3.729 20 0 HHADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279945 973801495 /nfs/dbraw/zinc/80/14/95/973801495.db2.gz SVJOZMHRCBKUCG-UGKGYDQZSA-N 2 2 410.537 3.729 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000410347153 973936218 /nfs/dbraw/zinc/93/62/18/973936218.db2.gz NEKFLKPPURNHCP-IBGZPJMESA-N 2 2 409.578 3.636 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000410347153 973936259 /nfs/dbraw/zinc/93/62/59/973936259.db2.gz NEKFLKPPURNHCP-IBGZPJMESA-N 2 2 409.578 3.636 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425979227 974088672 /nfs/dbraw/zinc/08/86/72/974088672.db2.gz KADRZCPXZDAISC-OEMFJLHTSA-N 2 2 417.557 3.584 20 0 HHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000426350478 974409285 /nfs/dbraw/zinc/40/92/85/974409285.db2.gz FUXPWTRGKQTKNT-FOVJLYNBSA-N 2 2 417.557 3.931 20 0 HHADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000426350478 974409289 /nfs/dbraw/zinc/40/92/89/974409289.db2.gz FUXPWTRGKQTKNT-FOVJLYNBSA-N 2 2 417.557 3.931 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000426482717 974478538 /nfs/dbraw/zinc/47/85/38/974478538.db2.gz MPMVEJLUNGCIGL-XZOQPEGZSA-N 2 2 421.520 3.812 20 0 HHADLP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1C1CC1 ZINC000426769904 974646177 /nfs/dbraw/zinc/64/61/77/974646177.db2.gz MVUSBGBDKNQCLP-RTBURBONSA-N 2 2 401.595 3.834 20 0 HHADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426801353 974670241 /nfs/dbraw/zinc/67/02/41/974670241.db2.gz QZXREJHIHVMZRK-OTWHNJEPSA-N 2 2 408.587 3.515 20 0 HHADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426801353 974670243 /nfs/dbraw/zinc/67/02/43/974670243.db2.gz QZXREJHIHVMZRK-OTWHNJEPSA-N 2 2 408.587 3.515 20 0 HHADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426829142 974694875 /nfs/dbraw/zinc/69/48/75/974694875.db2.gz NOQOYEFOHKTLAR-BRWVUGGUSA-N 2 2 409.521 3.503 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C[C@@H]3CCCO3)C3CCCC3)n2)CC1 ZINC000428239893 975556484 /nfs/dbraw/zinc/55/64/84/975556484.db2.gz ACQNBVZQJHCPLM-FQEVSTJZSA-N 2 2 420.623 3.737 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)n2)CC1 ZINC000428239893 975556494 /nfs/dbraw/zinc/55/64/94/975556494.db2.gz ACQNBVZQJHCPLM-FQEVSTJZSA-N 2 2 420.623 3.737 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428266108 975580327 /nfs/dbraw/zinc/58/03/27/975580327.db2.gz QRNRVHQCSYKUBR-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428266108 975580339 /nfs/dbraw/zinc/58/03/39/975580339.db2.gz QRNRVHQCSYKUBR-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP CC[NH+](CC)CCNC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000428332658 975641554 /nfs/dbraw/zinc/64/15/54/975641554.db2.gz ILZIIPPWXADDQY-UHFFFAOYSA-N 2 2 405.546 3.864 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431823 975746322 /nfs/dbraw/zinc/74/63/22/975746322.db2.gz NOZQYYBBOZZBPE-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431823 975746326 /nfs/dbraw/zinc/74/63/26/975746326.db2.gz NOZQYYBBOZZBPE-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431823 975746331 /nfs/dbraw/zinc/74/63/31/975746331.db2.gz NOZQYYBBOZZBPE-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431823 975746336 /nfs/dbraw/zinc/74/63/36/975746336.db2.gz NOZQYYBBOZZBPE-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP CCOc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436294 975749868 /nfs/dbraw/zinc/74/98/68/975749868.db2.gz FSGDSQMSFUCRHL-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436294 975749877 /nfs/dbraw/zinc/74/98/77/975749877.db2.gz FSGDSQMSFUCRHL-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436294 975749888 /nfs/dbraw/zinc/74/98/88/975749888.db2.gz FSGDSQMSFUCRHL-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436294 975749894 /nfs/dbraw/zinc/74/98/94/975749894.db2.gz FSGDSQMSFUCRHL-HSZRJFAPSA-N 2 2 418.965 3.816 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000428678375 975970776 /nfs/dbraw/zinc/97/07/76/975970776.db2.gz VOOQPSDWYDWLHW-SFHVURJKSA-N 2 2 403.596 3.766 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428757204 976029421 /nfs/dbraw/zinc/02/94/21/976029421.db2.gz INBZPVNFHSVYQO-LJQANCHMSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428757204 976029435 /nfs/dbraw/zinc/02/94/35/976029435.db2.gz INBZPVNFHSVYQO-LJQANCHMSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000429007966 976289226 /nfs/dbraw/zinc/28/92/26/976289226.db2.gz MRFKIYWJBBPWNL-TZIWHRDSSA-N 2 2 409.578 3.662 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1Cc1ccccc1 ZINC000429007966 976289233 /nfs/dbraw/zinc/28/92/33/976289233.db2.gz MRFKIYWJBBPWNL-TZIWHRDSSA-N 2 2 409.578 3.662 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000429224395 976517508 /nfs/dbraw/zinc/51/75/08/976517508.db2.gz BQAWRTVTENGLDD-IBGZPJMESA-N 2 2 423.517 3.721 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000429224395 976517515 /nfs/dbraw/zinc/51/75/15/976517515.db2.gz BQAWRTVTENGLDD-IBGZPJMESA-N 2 2 423.517 3.721 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc(O)c1 ZINC000429295345 976574578 /nfs/dbraw/zinc/57/45/78/976574578.db2.gz QJIOPXXHPHWQET-LJQANCHMSA-N 2 2 403.526 3.540 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421947 976699720 /nfs/dbraw/zinc/69/97/20/976699720.db2.gz YBHBFJUOEDSWEJ-SQJMNOBHSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421947 976699725 /nfs/dbraw/zinc/69/97/25/976699725.db2.gz YBHBFJUOEDSWEJ-SQJMNOBHSA-N 3 2 411.590 3.569 20 0 HHADLP Fc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000429431157 976710019 /nfs/dbraw/zinc/71/00/19/976710019.db2.gz SRWFZTGYGATJAR-JOCHJYFZSA-N 2 2 415.528 3.814 20 0 HHADLP Fc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000429431157 976710028 /nfs/dbraw/zinc/71/00/28/976710028.db2.gz SRWFZTGYGATJAR-JOCHJYFZSA-N 2 2 415.528 3.814 20 0 HHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432783 976711909 /nfs/dbraw/zinc/71/19/09/976711909.db2.gz VJESPLGMTPMLHH-RPBOFIJWSA-N 2 2 419.573 3.599 20 0 HHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432783 976711918 /nfs/dbraw/zinc/71/19/18/976711918.db2.gz VJESPLGMTPMLHH-RPBOFIJWSA-N 2 2 419.573 3.599 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441130 976718910 /nfs/dbraw/zinc/71/89/10/976718910.db2.gz JBMYKUVIXCIPNU-NQIIRXRSSA-N 2 2 407.558 3.858 20 0 HHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441130 976718919 /nfs/dbraw/zinc/71/89/19/976718919.db2.gz JBMYKUVIXCIPNU-NQIIRXRSSA-N 2 2 407.558 3.858 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691958 976984366 /nfs/dbraw/zinc/98/43/66/976984366.db2.gz QANWBKFHZLFSFL-WIOPSUGQSA-N 2 2 408.542 3.790 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691958 976984374 /nfs/dbraw/zinc/98/43/74/976984374.db2.gz QANWBKFHZLFSFL-WIOPSUGQSA-N 2 2 408.542 3.790 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814226 977087237 /nfs/dbraw/zinc/08/72/37/977087237.db2.gz KYBFEAJEKSCROW-AMDXRBSFSA-N 2 2 405.586 3.823 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814226 977087245 /nfs/dbraw/zinc/08/72/45/977087245.db2.gz KYBFEAJEKSCROW-AMDXRBSFSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814226 977087248 /nfs/dbraw/zinc/08/72/48/977087248.db2.gz KYBFEAJEKSCROW-AMDXRBSFSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814226 977087257 /nfs/dbraw/zinc/08/72/57/977087257.db2.gz KYBFEAJEKSCROW-AMDXRBSFSA-N 2 2 405.586 3.823 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000430260697 977427651 /nfs/dbraw/zinc/42/76/51/977427651.db2.gz HSLIHYVOWSVERQ-HSZRJFAPSA-N 2 2 417.557 3.542 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000430260697 977427656 /nfs/dbraw/zinc/42/76/56/977427656.db2.gz HSLIHYVOWSVERQ-HSZRJFAPSA-N 2 2 417.557 3.542 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000430485653 977591577 /nfs/dbraw/zinc/59/15/77/977591577.db2.gz PVKDTMSBMZLZFC-FQEVSTJZSA-N 2 2 400.542 3.735 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000430485653 977591596 /nfs/dbraw/zinc/59/15/96/977591596.db2.gz PVKDTMSBMZLZFC-FQEVSTJZSA-N 2 2 400.542 3.735 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000430911382 977879501 /nfs/dbraw/zinc/87/95/01/977879501.db2.gz HGFSVQTVAJRINI-QGZVFWFLSA-N 2 2 422.451 3.508 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000430911382 977879522 /nfs/dbraw/zinc/87/95/22/977879522.db2.gz HGFSVQTVAJRINI-QGZVFWFLSA-N 2 2 422.451 3.508 20 0 HHADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000431694194 978440911 /nfs/dbraw/zinc/44/09/11/978440911.db2.gz UDMWHFGXZXWZNS-XMSQKQJNSA-N 2 2 416.585 3.699 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431801937 978524795 /nfs/dbraw/zinc/52/47/95/978524795.db2.gz QNSUDRFOEYSMBH-ZJSXRUAMSA-N 2 2 416.569 3.985 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431801937 978524798 /nfs/dbraw/zinc/52/47/98/978524798.db2.gz QNSUDRFOEYSMBH-ZJSXRUAMSA-N 2 2 416.569 3.985 20 0 HHADLP Cc1cc(C)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000431988157 978633154 /nfs/dbraw/zinc/63/31/54/978633154.db2.gz SRSFEVQGTNVTLU-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP Cc1cc(C)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000431988157 978633155 /nfs/dbraw/zinc/63/31/55/978633155.db2.gz SRSFEVQGTNVTLU-UHFFFAOYSA-N 2 2 411.388 3.556 20 0 HHADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433931743 979691144 /nfs/dbraw/zinc/69/11/44/979691144.db2.gz OERSDOQBKNFYID-UHFFFAOYSA-N 2 2 421.589 3.557 20 0 HHADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433931743 979691152 /nfs/dbraw/zinc/69/11/52/979691152.db2.gz OERSDOQBKNFYID-UHFFFAOYSA-N 2 2 421.589 3.557 20 0 HHADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433937324 979696417 /nfs/dbraw/zinc/69/64/17/979696417.db2.gz SKHGJEOQXHXANA-HSZRJFAPSA-N 2 2 421.589 3.946 20 0 HHADLP C[NH+](C)C1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCCC1 ZINC000433987539 979736524 /nfs/dbraw/zinc/73/65/24/979736524.db2.gz GPVDGJRWPXCILI-UHFFFAOYSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259773 980023350 /nfs/dbraw/zinc/02/33/50/980023350.db2.gz LXCIOWZBOJIDQV-UGKGYDQZSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259773 980023354 /nfs/dbraw/zinc/02/33/54/980023354.db2.gz LXCIOWZBOJIDQV-UGKGYDQZSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259670 980023402 /nfs/dbraw/zinc/02/34/02/980023402.db2.gz LXCIOWZBOJIDQV-DENIHFKCSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259670 980023407 /nfs/dbraw/zinc/02/34/07/980023407.db2.gz LXCIOWZBOJIDQV-DENIHFKCSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259671 980023855 /nfs/dbraw/zinc/02/38/55/980023855.db2.gz LXCIOWZBOJIDQV-KNQAVFIVSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434259671 980023865 /nfs/dbraw/zinc/02/38/65/980023865.db2.gz LXCIOWZBOJIDQV-KNQAVFIVSA-N 2 2 421.589 3.944 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000434299831 980059587 /nfs/dbraw/zinc/05/95/87/980059587.db2.gz LJSLRTXEKPKKLC-UHFFFAOYSA-N 2 2 413.541 3.509 20 0 HHADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434502467 980215327 /nfs/dbraw/zinc/21/53/27/980215327.db2.gz DPQQJFVIJWPJTD-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434502467 980215335 /nfs/dbraw/zinc/21/53/35/980215335.db2.gz DPQQJFVIJWPJTD-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434502467 980215344 /nfs/dbraw/zinc/21/53/44/980215344.db2.gz DPQQJFVIJWPJTD-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434502467 980215351 /nfs/dbraw/zinc/21/53/51/980215351.db2.gz DPQQJFVIJWPJTD-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP CC(C)OCc1ccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434687545 980339423 /nfs/dbraw/zinc/33/94/23/980339423.db2.gz DOKGKSMBLACHQA-UHFFFAOYSA-N 2 2 424.589 3.640 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000434987004 980551108 /nfs/dbraw/zinc/55/11/08/980551108.db2.gz RNZSIZGUZHTJJW-UHFFFAOYSA-N 2 2 406.452 3.799 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436609335 981472301 /nfs/dbraw/zinc/47/23/01/981472301.db2.gz WCFDQQVPOPEUHW-XZOQPEGZSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436609335 981472304 /nfs/dbraw/zinc/47/23/04/981472304.db2.gz WCFDQQVPOPEUHW-XZOQPEGZSA-N 2 2 413.606 3.680 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(OCc3ccccc3)cc2)([NH+]2CCCCC2)CC1 ZINC000460479978 982272628 /nfs/dbraw/zinc/27/26/28/982272628.db2.gz KUESDEWHLLUFCK-UHFFFAOYSA-N 2 2 421.585 3.946 20 0 HHADLP Cc1nc(-c2ccsc2)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460485834 982277242 /nfs/dbraw/zinc/27/72/42/982277242.db2.gz AFMAGCQOIAVGLT-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2csc(-c3ccc(F)cc3)n2)([NH+]2CCCCC2)CC1 ZINC000460488578 982278559 /nfs/dbraw/zinc/27/85/59/982278559.db2.gz MYKABCJTKIREAV-UHFFFAOYSA-N 2 2 416.566 3.629 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000437906523 982454845 /nfs/dbraw/zinc/45/48/45/982454845.db2.gz HLNFUWDBPSQMTB-UHFFFAOYSA-N 2 2 421.589 3.871 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000437906523 982454850 /nfs/dbraw/zinc/45/48/50/982454850.db2.gz HLNFUWDBPSQMTB-UHFFFAOYSA-N 2 2 421.589 3.871 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103584 982590474 /nfs/dbraw/zinc/59/04/74/982590474.db2.gz LIDWIKQQXSGCFO-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103584 982590476 /nfs/dbraw/zinc/59/04/76/982590476.db2.gz LIDWIKQQXSGCFO-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103584 982590482 /nfs/dbraw/zinc/59/04/82/982590482.db2.gz LIDWIKQQXSGCFO-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000438103584 982590486 /nfs/dbraw/zinc/59/04/86/982590486.db2.gz LIDWIKQQXSGCFO-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438276202 982694501 /nfs/dbraw/zinc/69/45/01/982694501.db2.gz DFWLLEHDHVGBDM-SQJMNOBHSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000438276202 982694504 /nfs/dbraw/zinc/69/45/04/982694504.db2.gz DFWLLEHDHVGBDM-SQJMNOBHSA-N 2 2 420.601 3.673 20 0 HHADLP Cc1ccc(C)n1-c1sccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000461293707 982993399 /nfs/dbraw/zinc/99/33/99/982993399.db2.gz MCTRBIFRRKTXSA-UHFFFAOYSA-N 2 2 414.619 3.836 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764648 983055789 /nfs/dbraw/zinc/05/57/89/983055789.db2.gz PKOXCACYTNRRAW-XZOQPEGZSA-N 2 2 410.562 3.504 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764648 983055797 /nfs/dbraw/zinc/05/57/97/983055797.db2.gz PKOXCACYTNRRAW-XZOQPEGZSA-N 2 2 410.562 3.504 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)([NH+]2CCCCC2)CC1 ZINC000439320692 983363797 /nfs/dbraw/zinc/36/37/97/983363797.db2.gz BUYJNZWCIXJPPN-QZTJIDSGSA-N 2 2 418.548 3.605 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000439730446 983517739 /nfs/dbraw/zinc/51/77/39/983517739.db2.gz KCLXMPSOBBXYOS-XXBNENTESA-N 2 2 424.614 3.513 20 0 HHADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816870 983549466 /nfs/dbraw/zinc/54/94/66/983549466.db2.gz ZALCKHQUPPOPNO-CYFREDJKSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000439816870 983549468 /nfs/dbraw/zinc/54/94/68/983549468.db2.gz ZALCKHQUPPOPNO-CYFREDJKSA-N 2 2 408.590 3.824 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439832929 983553185 /nfs/dbraw/zinc/55/31/85/983553185.db2.gz DXCBFGLQRRGDTQ-NRFANRHFSA-N 2 2 406.534 3.669 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439832929 983553187 /nfs/dbraw/zinc/55/31/87/983553187.db2.gz DXCBFGLQRRGDTQ-NRFANRHFSA-N 2 2 406.534 3.669 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc(-c4ccncc4)s3)CC2)c1 ZINC000440349261 983730098 /nfs/dbraw/zinc/73/00/98/983730098.db2.gz ZADAAMNTSNGQIL-UHFFFAOYSA-N 2 2 407.587 3.815 20 0 HHADLP C[N@H+](C[C@@H](O)COCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440464821 983766776 /nfs/dbraw/zinc/76/67/76/983766776.db2.gz YMDORTYMBXHRLQ-JOCHJYFZSA-N 2 2 402.966 3.814 20 0 HHADLP C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440464821 983766779 /nfs/dbraw/zinc/76/67/79/983766779.db2.gz YMDORTYMBXHRLQ-JOCHJYFZSA-N 2 2 402.966 3.814 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nccs1 ZINC000440690730 983855210 /nfs/dbraw/zinc/85/52/10/983855210.db2.gz FRRQLBDDCKDBLH-FQEVSTJZSA-N 2 2 404.605 3.545 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)c1 ZINC000440815785 983918848 /nfs/dbraw/zinc/91/88/48/983918848.db2.gz ABWGHLFKGQDEPJ-NHCUHLMSSA-N 2 2 411.575 3.905 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000441370153 984213538 /nfs/dbraw/zinc/21/35/38/984213538.db2.gz GQWCQNDFNHLPFJ-GHTZIAJQSA-N 2 2 420.513 3.629 20 0 HHADLP COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441385945 984223543 /nfs/dbraw/zinc/22/35/43/984223543.db2.gz OBFQLDTZCOUBMS-KNQAVFIVSA-N 2 2 406.530 3.544 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400470 984231941 /nfs/dbraw/zinc/23/19/41/984231941.db2.gz GLGVGGUIWJZFOD-UIAACRFSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400470 984231949 /nfs/dbraw/zinc/23/19/49/984231949.db2.gz GLGVGGUIWJZFOD-UIAACRFSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400470 984231955 /nfs/dbraw/zinc/23/19/55/984231955.db2.gz GLGVGGUIWJZFOD-UIAACRFSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400470 984231958 /nfs/dbraw/zinc/23/19/58/984231958.db2.gz GLGVGGUIWJZFOD-UIAACRFSSA-N 2 2 423.479 3.639 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415324 984239470 /nfs/dbraw/zinc/23/94/70/984239470.db2.gz MEIWHPWEYNQNEM-WIOPSUGQSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415324 984239476 /nfs/dbraw/zinc/23/94/76/984239476.db2.gz MEIWHPWEYNQNEM-WIOPSUGQSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441415324 984239480 /nfs/dbraw/zinc/23/94/80/984239480.db2.gz MEIWHPWEYNQNEM-WIOPSUGQSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441415324 984239484 /nfs/dbraw/zinc/23/94/84/984239484.db2.gz MEIWHPWEYNQNEM-WIOPSUGQSA-N 2 2 421.585 3.756 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000442044583 984608533 /nfs/dbraw/zinc/60/85/33/984608533.db2.gz BODHIHCVZXOCBH-INIZCTEOSA-N 2 2 421.655 3.784 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000442044583 984608535 /nfs/dbraw/zinc/60/85/35/984608535.db2.gz BODHIHCVZXOCBH-INIZCTEOSA-N 2 2 421.655 3.784 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000442239540 984760708 /nfs/dbraw/zinc/76/07/08/984760708.db2.gz UEGXMSIXKFOXLZ-JTHBVZDNSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000442239540 984760711 /nfs/dbraw/zinc/76/07/11/984760711.db2.gz UEGXMSIXKFOXLZ-JTHBVZDNSA-N 2 2 411.594 3.908 20 0 HHADLP CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462002424 984983426 /nfs/dbraw/zinc/98/34/26/984983426.db2.gz ADCTUSBTBJXMID-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462002424 984983431 /nfs/dbraw/zinc/98/34/31/984983431.db2.gz ADCTUSBTBJXMID-DEOSSOPVSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000462219810 985200514 /nfs/dbraw/zinc/20/05/14/985200514.db2.gz YCZROWWRPRNYOV-OXQOHEQNSA-N 2 2 404.555 3.578 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462231126 985212070 /nfs/dbraw/zinc/21/20/70/985212070.db2.gz WVEPLJRZHOJECU-LEWJYISDSA-N 2 2 422.564 3.757 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462231126 985212081 /nfs/dbraw/zinc/21/20/81/985212081.db2.gz WVEPLJRZHOJECU-LEWJYISDSA-N 2 2 422.564 3.757 20 0 HHADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(Br)cc2Cl)nc[nH+]1 ZINC000462740173 985681582 /nfs/dbraw/zinc/68/15/82/985681582.db2.gz BCKIJWUSSGCDRV-AWEZNQCLSA-N 2 2 410.747 3.693 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462741599 985683176 /nfs/dbraw/zinc/68/31/76/985683176.db2.gz FTBGXFXPWJSZJC-PKTZIBPZSA-N 2 2 423.605 3.687 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462741599 985683183 /nfs/dbraw/zinc/68/31/83/985683183.db2.gz FTBGXFXPWJSZJC-PKTZIBPZSA-N 2 2 423.605 3.687 20 0 HHADLP O=C([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCCC1 ZINC000463112452 986075221 /nfs/dbraw/zinc/07/52/21/986075221.db2.gz UUQDABCGDMKSJX-VWLOTQADSA-N 2 2 423.576 3.656 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000463146482 986116094 /nfs/dbraw/zinc/11/60/94/986116094.db2.gz CAHWWAYOMCSROW-OXJNMPFZSA-N 2 2 404.555 3.578 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Br)c1 ZINC000463191422 986163044 /nfs/dbraw/zinc/16/30/44/986163044.db2.gz PHDBYESKDZMBIB-OAQYLSRUSA-N 2 2 403.364 3.779 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)ccc1Br ZINC000463401392 986368470 /nfs/dbraw/zinc/36/84/70/986368470.db2.gz DAXSAHZSDGLHSJ-IBGZPJMESA-N 2 2 408.384 3.715 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000468771506 986484054 /nfs/dbraw/zinc/48/40/54/986484054.db2.gz BAXSGQIKFYQZPQ-CALCHBBNSA-N 2 2 406.933 3.967 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000468771506 986484061 /nfs/dbraw/zinc/48/40/61/986484061.db2.gz BAXSGQIKFYQZPQ-CALCHBBNSA-N 2 2 406.933 3.967 20 0 HHADLP C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCO1 ZINC000463686477 986669530 /nfs/dbraw/zinc/66/95/30/986669530.db2.gz OQUOYDUPJFQUNU-SFHVURJKSA-N 2 2 411.550 3.509 20 0 HHADLP C[C@H]1C[N@@H+](CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCO1 ZINC000463686477 986669535 /nfs/dbraw/zinc/66/95/35/986669535.db2.gz OQUOYDUPJFQUNU-SFHVURJKSA-N 2 2 411.550 3.509 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000444569422 986761329 /nfs/dbraw/zinc/76/13/29/986761329.db2.gz FELACUXVIAUCEC-GOSISDBHSA-N 2 2 418.545 3.601 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cnn1C(C)(C)C ZINC000469066916 986778966 /nfs/dbraw/zinc/77/89/66/986778966.db2.gz UTFRWLGGZKRMPC-GOSISDBHSA-N 2 2 400.567 3.508 20 0 HHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000469074021 986785766 /nfs/dbraw/zinc/78/57/66/986785766.db2.gz VEQIVUHKYJCRMM-OAQYLSRUSA-N 2 2 412.578 3.965 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000469123500 986841411 /nfs/dbraw/zinc/84/14/11/986841411.db2.gz VPJSIPNXBXEKGH-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000469123500 986841427 /nfs/dbraw/zinc/84/14/27/986841427.db2.gz VPJSIPNXBXEKGH-HSZRJFAPSA-N 2 2 420.557 3.714 20 0 HHADLP CC[N@H+](Cc1nncn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444660008 986842493 /nfs/dbraw/zinc/84/24/93/986842493.db2.gz FCDMXFAJIREDLQ-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP CC[N@@H+](Cc1nncn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000444660008 986842507 /nfs/dbraw/zinc/84/25/07/986842507.db2.gz FCDMXFAJIREDLQ-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000444790217 986945035 /nfs/dbraw/zinc/94/50/35/986945035.db2.gz HNJXMFRFSDDYNZ-VWNXMTODSA-N 2 2 414.553 3.774 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000444790217 986945040 /nfs/dbraw/zinc/94/50/40/986945040.db2.gz HNJXMFRFSDDYNZ-VWNXMTODSA-N 2 2 414.553 3.774 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793577 986948911 /nfs/dbraw/zinc/94/89/11/986948911.db2.gz HVXWOBVSXAGCKF-QPPBQGQZSA-N 2 2 420.532 3.987 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793577 986948921 /nfs/dbraw/zinc/94/89/21/986948921.db2.gz HVXWOBVSXAGCKF-QPPBQGQZSA-N 2 2 420.532 3.987 20 0 HHADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000469741848 987392440 /nfs/dbraw/zinc/39/24/40/987392440.db2.gz OVAPEDIIRXJOLH-BBRMVZONSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000469741848 987392442 /nfs/dbraw/zinc/39/24/42/987392442.db2.gz OVAPEDIIRXJOLH-BBRMVZONSA-N 2 2 402.296 3.779 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469754296 987406753 /nfs/dbraw/zinc/40/67/53/987406753.db2.gz XUWVRLAQKPAYCH-YGDZHLNZSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000469754296 987406764 /nfs/dbraw/zinc/40/67/64/987406764.db2.gz XUWVRLAQKPAYCH-YGDZHLNZSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469755505 987408256 /nfs/dbraw/zinc/40/82/56/987408256.db2.gz AUJMGZJPQOMNKI-SFHVURJKSA-N 2 2 423.948 3.525 20 0 HHADLP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000469793670 987437619 /nfs/dbraw/zinc/43/76/19/987437619.db2.gz IEJLIQCQNFYFFT-ROUUACIJSA-N 2 2 410.653 3.967 20 0 HHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469825730 987462216 /nfs/dbraw/zinc/46/22/16/987462216.db2.gz AZAHCFGITPMLCO-UHFFFAOYSA-N 2 2 402.498 3.640 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3F)C3CCCC3)CC2)CC1 ZINC000445517597 987574636 /nfs/dbraw/zinc/57/46/36/987574636.db2.gz DZXALYFVAZKWOB-HSZRJFAPSA-N 2 2 416.585 3.915 20 0 HHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000464067390 988188343 /nfs/dbraw/zinc/18/83/43/988188343.db2.gz KDQAOOPAAFDJPX-LJQANCHMSA-N 2 2 408.384 3.717 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000470296415 988255546 /nfs/dbraw/zinc/25/55/46/988255546.db2.gz LYLIPAUGZVKWMK-QGZVFWFLSA-N 2 2 409.456 3.620 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000470300670 988259790 /nfs/dbraw/zinc/25/97/90/988259790.db2.gz ZGNFQSGTJMHGJK-YADHBBJMSA-N 2 2 411.594 3.541 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000470300670 988259798 /nfs/dbraw/zinc/25/97/98/988259798.db2.gz ZGNFQSGTJMHGJK-YADHBBJMSA-N 2 2 411.594 3.541 20 0 HHADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000464603861 988785215 /nfs/dbraw/zinc/78/52/15/988785215.db2.gz WDBSTYPOLOQJAK-QUCCMNQESA-N 2 2 411.594 3.503 20 0 HHADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681835 988886413 /nfs/dbraw/zinc/88/64/13/988886413.db2.gz BMMMBDBKQNCFRE-QFBILLFUSA-N 2 2 408.384 3.527 20 0 HHADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681835 988886440 /nfs/dbraw/zinc/88/64/40/988886440.db2.gz BMMMBDBKQNCFRE-QFBILLFUSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681835 988886458 /nfs/dbraw/zinc/88/64/58/988886458.db2.gz BMMMBDBKQNCFRE-QFBILLFUSA-N 2 2 408.384 3.527 20 0 HHADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000464681835 988886478 /nfs/dbraw/zinc/88/64/78/988886478.db2.gz BMMMBDBKQNCFRE-QFBILLFUSA-N 2 2 408.384 3.527 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000470889146 988961434 /nfs/dbraw/zinc/96/14/34/988961434.db2.gz PDKHEJRTLTUHPZ-HSZRJFAPSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000470889146 988961441 /nfs/dbraw/zinc/96/14/41/988961441.db2.gz PDKHEJRTLTUHPZ-HSZRJFAPSA-N 2 2 421.589 3.665 20 0 HHADLP CC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801326 989030258 /nfs/dbraw/zinc/03/02/58/989030258.db2.gz DVZGPAYNRFXMJZ-QHCPKHFHSA-N 2 2 411.590 3.985 20 0 HHADLP CC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801326 989030264 /nfs/dbraw/zinc/03/02/64/989030264.db2.gz DVZGPAYNRFXMJZ-QHCPKHFHSA-N 2 2 411.590 3.985 20 0 HHADLP CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805243 989034562 /nfs/dbraw/zinc/03/45/62/989034562.db2.gz LWMJXWXTGGTNSI-FQEVSTJZSA-N 2 2 403.954 3.713 20 0 HHADLP CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805243 989034572 /nfs/dbraw/zinc/03/45/72/989034572.db2.gz LWMJXWXTGGTNSI-FQEVSTJZSA-N 2 2 403.954 3.713 20 0 HHADLP CCc1ccc(CNC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000464807471 989039895 /nfs/dbraw/zinc/03/98/95/989039895.db2.gz UULOZGUGZAIJOC-UHFFFAOYSA-N 2 2 400.592 3.560 20 0 HHADLP CCc1ccc(CNC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000464807471 989039905 /nfs/dbraw/zinc/03/99/05/989039905.db2.gz UULOZGUGZAIJOC-UHFFFAOYSA-N 2 2 400.592 3.560 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808248 989041448 /nfs/dbraw/zinc/04/14/48/989041448.db2.gz KIYQCIDWIICSJU-RUZDIDTESA-N 2 2 406.574 3.887 20 0 HHADLP CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808248 989041462 /nfs/dbraw/zinc/04/14/62/989041462.db2.gz KIYQCIDWIICSJU-RUZDIDTESA-N 2 2 406.574 3.887 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839320 989082659 /nfs/dbraw/zinc/08/26/59/989082659.db2.gz QNEOHKREABRRLN-IFMALSPDSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839320 989082671 /nfs/dbraw/zinc/08/26/71/989082671.db2.gz QNEOHKREABRRLN-IFMALSPDSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839320 989082678 /nfs/dbraw/zinc/08/26/78/989082678.db2.gz QNEOHKREABRRLN-IFMALSPDSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839320 989082691 /nfs/dbraw/zinc/08/26/91/989082691.db2.gz QNEOHKREABRRLN-IFMALSPDSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839322 989084409 /nfs/dbraw/zinc/08/44/09/989084409.db2.gz QNEOHKREABRRLN-IRLDBZIGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839322 989084419 /nfs/dbraw/zinc/08/44/19/989084419.db2.gz QNEOHKREABRRLN-IRLDBZIGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839322 989084425 /nfs/dbraw/zinc/08/44/25/989084425.db2.gz QNEOHKREABRRLN-IRLDBZIGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839322 989084433 /nfs/dbraw/zinc/08/44/33/989084433.db2.gz QNEOHKREABRRLN-IRLDBZIGSA-N 2 2 422.573 3.794 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000464949895 989244584 /nfs/dbraw/zinc/24/45/84/989244584.db2.gz OWHJIQDGDXCUBM-HSZRJFAPSA-N 2 2 416.585 3.915 20 0 HHADLP C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000471241273 989387452 /nfs/dbraw/zinc/38/74/52/989387452.db2.gz FDEWQTPKYOZSAT-UHFFFAOYSA-N 2 2 403.530 3.903 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000471290753 989449037 /nfs/dbraw/zinc/44/90/37/989449037.db2.gz CSWSTSATAMBURP-OAQYLSRUSA-N 2 2 419.529 3.606 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000471290753 989449042 /nfs/dbraw/zinc/44/90/42/989449042.db2.gz CSWSTSATAMBURP-OAQYLSRUSA-N 2 2 419.529 3.606 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000465221619 989573419 /nfs/dbraw/zinc/57/34/19/989573419.db2.gz HOYSJNVJSXSHBH-UHFFFAOYSA-N 2 2 416.585 3.839 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468743 989814103 /nfs/dbraw/zinc/81/41/03/989814103.db2.gz RYOWEUXXEVFTEN-DVECYGJZSA-N 2 2 418.541 3.649 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468743 989814114 /nfs/dbraw/zinc/81/41/14/989814114.db2.gz RYOWEUXXEVFTEN-DVECYGJZSA-N 2 2 418.541 3.649 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471965037 990131137 /nfs/dbraw/zinc/13/11/37/990131137.db2.gz QEZKOWMXTQBNGL-RTWAWAEBSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000471965037 990131140 /nfs/dbraw/zinc/13/11/40/990131140.db2.gz QEZKOWMXTQBNGL-RTWAWAEBSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000472008028 990176520 /nfs/dbraw/zinc/17/65/20/990176520.db2.gz GRRBYQOMCYVZOA-RBBKRZOGSA-N 2 2 416.585 3.711 20 0 HHADLP Cc1ccc([C@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)c(C)c1 ZINC000472008955 990177396 /nfs/dbraw/zinc/17/73/96/990177396.db2.gz LGXHMUZCFHJMMS-QFIPXVFZSA-N 2 2 412.622 3.753 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472048983 990216402 /nfs/dbraw/zinc/21/64/02/990216402.db2.gz OIGLFJAMLRYIND-VQTJNVASSA-N 2 2 410.965 3.742 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472048983 990216409 /nfs/dbraw/zinc/21/64/09/990216409.db2.gz OIGLFJAMLRYIND-VQTJNVASSA-N 2 2 410.965 3.742 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC000465879501 990997321 /nfs/dbraw/zinc/99/73/21/990997321.db2.gz QMUCCPUDLBOFQB-AYOQOUSVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC000465879501 990997323 /nfs/dbraw/zinc/99/73/23/990997323.db2.gz QMUCCPUDLBOFQB-AYOQOUSVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879501 990997327 /nfs/dbraw/zinc/99/73/27/990997327.db2.gz QMUCCPUDLBOFQB-AYOQOUSVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879501 990997333 /nfs/dbraw/zinc/99/73/33/990997333.db2.gz QMUCCPUDLBOFQB-AYOQOUSVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000465890132 991015060 /nfs/dbraw/zinc/01/50/60/991015060.db2.gz HATGGEYHKHVSEH-CVDCTZTESA-N 2 2 417.557 3.880 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000465890132 991015072 /nfs/dbraw/zinc/01/50/72/991015072.db2.gz HATGGEYHKHVSEH-CVDCTZTESA-N 2 2 417.557 3.880 20 0 HHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)c1ccccc1 ZINC000465971689 991123503 /nfs/dbraw/zinc/12/35/03/991123503.db2.gz YQEJEFOCZDZHSQ-JOCHJYFZSA-N 2 2 414.638 3.992 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000466016833 991183583 /nfs/dbraw/zinc/18/35/83/991183583.db2.gz BVHAIJUHHQEKPD-GHTZIAJQSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000466016833 991183590 /nfs/dbraw/zinc/18/35/90/991183590.db2.gz BVHAIJUHHQEKPD-GHTZIAJQSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000466099156 991278504 /nfs/dbraw/zinc/27/85/04/991278504.db2.gz IRMCJOGUYNVNEQ-YLJYHZDGSA-N 2 2 401.580 3.718 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000466099156 991278514 /nfs/dbraw/zinc/27/85/14/991278514.db2.gz IRMCJOGUYNVNEQ-YLJYHZDGSA-N 2 2 401.580 3.718 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000466140420 991321777 /nfs/dbraw/zinc/32/17/77/991321777.db2.gz DBUKORMLSIJVQP-QHCPKHFHSA-N 2 2 412.622 3.601 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@](C)(c3ccccc3)C2)([NH+]2CCCCC2)CC1 ZINC000466149249 991332842 /nfs/dbraw/zinc/33/28/42/991332842.db2.gz VVRWLIDMIROFOG-DEOSSOPVSA-N 2 2 412.622 3.700 20 0 HHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000466153816 991339043 /nfs/dbraw/zinc/33/90/43/991339043.db2.gz LTRVZFSGFNSWFY-VQTJNVASSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466154701 991340589 /nfs/dbraw/zinc/34/05/89/991340589.db2.gz QPVFXQVXJGMYSW-UGKGYDQZSA-N 2 2 416.585 3.869 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000466380589 991665330 /nfs/dbraw/zinc/66/53/30/991665330.db2.gz OSFXBWUYNXTPPY-QGZVFWFLSA-N 2 2 415.607 3.801 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000466380589 991665336 /nfs/dbraw/zinc/66/53/36/991665336.db2.gz OSFXBWUYNXTPPY-QGZVFWFLSA-N 2 2 415.607 3.801 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000466390501 991679884 /nfs/dbraw/zinc/67/98/84/991679884.db2.gz VLUGOXUTUPWTBA-BGYRXZFFSA-N 2 2 424.589 3.722 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000466390501 991679889 /nfs/dbraw/zinc/67/98/89/991679889.db2.gz VLUGOXUTUPWTBA-BGYRXZFFSA-N 2 2 424.589 3.722 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821292 992129876 /nfs/dbraw/zinc/12/98/76/992129876.db2.gz GMEUXPQKJQUKGO-YKSBVNFPSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821292 992129879 /nfs/dbraw/zinc/12/98/79/992129879.db2.gz GMEUXPQKJQUKGO-YKSBVNFPSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821292 992129884 /nfs/dbraw/zinc/12/98/84/992129884.db2.gz GMEUXPQKJQUKGO-YKSBVNFPSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821292 992129890 /nfs/dbraw/zinc/12/98/90/992129890.db2.gz GMEUXPQKJQUKGO-YKSBVNFPSA-N 2 2 405.546 3.870 20 0 HHADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000467252758 992576917 /nfs/dbraw/zinc/57/69/17/992576917.db2.gz DTRUQENCJLLNMN-HXUWFJFHSA-N 2 2 420.395 3.673 20 0 HHADLP COc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1OC(C)C ZINC000467658237 992917664 /nfs/dbraw/zinc/91/76/64/992917664.db2.gz ULOFPRYULTVXHC-UHFFFAOYSA-N 2 2 418.582 3.554 20 0 HHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000472146803 993201858 /nfs/dbraw/zinc/20/18/58/993201858.db2.gz BRXMONDQKMBPJJ-SFHVURJKSA-N 2 2 402.498 3.817 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000472304782 993317091 /nfs/dbraw/zinc/31/70/91/993317091.db2.gz XRQXMPWFIRDFKB-QHCPKHFHSA-N 2 2 409.578 3.607 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000472304782 993317098 /nfs/dbraw/zinc/31/70/98/993317098.db2.gz XRQXMPWFIRDFKB-QHCPKHFHSA-N 2 2 409.578 3.607 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@@H+]2C2CC2)c1 ZINC000472317106 993328287 /nfs/dbraw/zinc/32/82/87/993328287.db2.gz VWTMYWCLQONERR-IRLDBZIGSA-N 2 2 405.502 3.751 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@H+]2C2CC2)c1 ZINC000472317106 993328292 /nfs/dbraw/zinc/32/82/92/993328292.db2.gz VWTMYWCLQONERR-IRLDBZIGSA-N 2 2 405.502 3.751 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000472320364 993331145 /nfs/dbraw/zinc/33/11/45/993331145.db2.gz ADJJQRXTQXTXOF-IRLDBZIGSA-N 2 2 405.502 3.529 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000472320364 993331150 /nfs/dbraw/zinc/33/11/50/993331150.db2.gz ADJJQRXTQXTXOF-IRLDBZIGSA-N 2 2 405.502 3.529 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000472321029 993332052 /nfs/dbraw/zinc/33/20/52/993332052.db2.gz POVSIDGDLXPDMG-PMACEKPBSA-N 2 2 402.583 3.636 20 0 HHADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000472341561 993347716 /nfs/dbraw/zinc/34/77/16/993347716.db2.gz RFDRWSZBNLYXAQ-QFIPXVFZSA-N 2 2 412.603 3.740 20 0 HHADLP Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000472341561 993347721 /nfs/dbraw/zinc/34/77/21/993347721.db2.gz RFDRWSZBNLYXAQ-QFIPXVFZSA-N 2 2 412.603 3.740 20 0 HHADLP CC[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472579385 993545157 /nfs/dbraw/zinc/54/51/57/993545157.db2.gz IKJMVAHJYUFIPE-HXUWFJFHSA-N 2 2 408.546 3.541 20 0 HHADLP CC[N@@H+](C[C@@H](O)COc1cccc2[nH]ccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472579385 993545162 /nfs/dbraw/zinc/54/51/62/993545162.db2.gz IKJMVAHJYUFIPE-HXUWFJFHSA-N 2 2 408.546 3.541 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3nnn(-c4ccccc4)c3C)cc2)CC1 ZINC000480732598 993598594 /nfs/dbraw/zinc/59/85/94/993598594.db2.gz SQVHCFZEWZZOTD-FQEVSTJZSA-N 2 2 418.589 3.564 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(OC)cc43)cc2)CC1 ZINC000480739370 993605889 /nfs/dbraw/zinc/60/58/89/993605889.db2.gz MUFGGBVTNFHZGK-XMMPIXPASA-N 2 2 409.574 3.836 20 0 HHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756793 993622757 /nfs/dbraw/zinc/62/27/57/993622757.db2.gz AFXHLPXJUZVYFS-JTSKRJEESA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756793 993622762 /nfs/dbraw/zinc/62/27/62/993622762.db2.gz AFXHLPXJUZVYFS-JTSKRJEESA-N 2 2 401.576 3.619 20 0 HHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480775329 993641131 /nfs/dbraw/zinc/64/11/31/993641131.db2.gz BTGRMXZVPVFMRC-QGZVFWFLSA-N 2 2 401.576 3.829 20 0 HHADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480798719 993667873 /nfs/dbraw/zinc/66/78/73/993667873.db2.gz MBZVWQFJZFLKIV-HXUWFJFHSA-N 2 2 409.500 3.692 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000481022841 993866318 /nfs/dbraw/zinc/86/63/18/993866318.db2.gz IIFKECPTRKUEFI-GHTZIAJQSA-N 2 2 407.624 3.506 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000473024270 993943147 /nfs/dbraw/zinc/94/31/47/993943147.db2.gz QHPAMVVRSYNFKB-GOSISDBHSA-N 2 2 409.509 3.721 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000473024270 993943156 /nfs/dbraw/zinc/94/31/56/993943156.db2.gz QHPAMVVRSYNFKB-GOSISDBHSA-N 2 2 409.509 3.721 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174378 994005037 /nfs/dbraw/zinc/00/50/37/994005037.db2.gz IZDYEGCRNAWWLV-PKOBYXMFSA-N 2 2 408.571 3.759 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174378 994005046 /nfs/dbraw/zinc/00/50/46/994005046.db2.gz IZDYEGCRNAWWLV-PKOBYXMFSA-N 2 2 408.571 3.759 20 0 HHADLP O=C(C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481176325 994006754 /nfs/dbraw/zinc/00/67/54/994006754.db2.gz NTANODXEWDGNJF-ZCYQVOJMSA-N 2 2 421.585 3.848 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481187340 994019089 /nfs/dbraw/zinc/01/90/89/994019089.db2.gz ZGTLMJJCFFDEFW-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000481187340 994019099 /nfs/dbraw/zinc/01/90/99/994019099.db2.gz ZGTLMJJCFFDEFW-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305461 994122115 /nfs/dbraw/zinc/12/21/15/994122115.db2.gz GKUALWJKVUZPPD-ROUUACIJSA-N 2 2 404.514 3.942 20 0 HHADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1S(C)(=O)=O ZINC000481562036 994396076 /nfs/dbraw/zinc/39/60/76/994396076.db2.gz KXVAYRBILRXNHC-CQSZACIVSA-N 2 2 417.506 3.583 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000481997802 994898724 /nfs/dbraw/zinc/89/87/24/994898724.db2.gz ACWMLDNWALLQOD-CHWSQXEVSA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000481997802 994898729 /nfs/dbraw/zinc/89/87/29/994898729.db2.gz ACWMLDNWALLQOD-CHWSQXEVSA-N 2 2 420.722 3.670 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006733 994910442 /nfs/dbraw/zinc/91/04/42/994910442.db2.gz HXXUGFCMSIXWAI-WMZOPIPTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006733 994910453 /nfs/dbraw/zinc/91/04/53/994910453.db2.gz HXXUGFCMSIXWAI-WMZOPIPTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006733 994910469 /nfs/dbraw/zinc/91/04/69/994910469.db2.gz HXXUGFCMSIXWAI-WMZOPIPTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006733 994910485 /nfs/dbraw/zinc/91/04/85/994910485.db2.gz HXXUGFCMSIXWAI-WMZOPIPTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006728 994910947 /nfs/dbraw/zinc/91/09/47/994910947.db2.gz HXXUGFCMSIXWAI-AEFFLSMTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006728 994910960 /nfs/dbraw/zinc/91/09/60/994910960.db2.gz HXXUGFCMSIXWAI-AEFFLSMTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006728 994910972 /nfs/dbraw/zinc/91/09/72/994910972.db2.gz HXXUGFCMSIXWAI-AEFFLSMTSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2OC)o1 ZINC000482006728 994910987 /nfs/dbraw/zinc/91/09/87/994910987.db2.gz HXXUGFCMSIXWAI-AEFFLSMTSA-N 2 2 416.518 3.568 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482014780 994923618 /nfs/dbraw/zinc/92/36/18/994923618.db2.gz FFZIFFKCGDMIKR-BJKOFHAPSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482014780 994923631 /nfs/dbraw/zinc/92/36/31/994923631.db2.gz FFZIFFKCGDMIKR-BJKOFHAPSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482016485 994925449 /nfs/dbraw/zinc/92/54/49/994925449.db2.gz IFEHIOMMADAFPS-PKTZIBPZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482016485 994925461 /nfs/dbraw/zinc/92/54/61/994925461.db2.gz IFEHIOMMADAFPS-PKTZIBPZSA-N 2 2 402.498 3.589 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023477 994937788 /nfs/dbraw/zinc/93/77/88/994937788.db2.gz AGWFFDOBEULSJY-FHLIZLRMSA-N 2 2 408.384 3.530 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023477 994937799 /nfs/dbraw/zinc/93/77/99/994937799.db2.gz AGWFFDOBEULSJY-FHLIZLRMSA-N 2 2 408.384 3.530 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)CC[N@@H+]2C2CC2)c1 ZINC000482073783 995008850 /nfs/dbraw/zinc/00/88/50/995008850.db2.gz BKKNGZQZOWAHKS-ZYKLXPEUSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)CC[N@H+]2C2CC2)c1 ZINC000482073783 995008854 /nfs/dbraw/zinc/00/88/54/995008854.db2.gz BKKNGZQZOWAHKS-ZYKLXPEUSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073783 995008862 /nfs/dbraw/zinc/00/88/62/995008862.db2.gz BKKNGZQZOWAHKS-ZYKLXPEUSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073783 995008874 /nfs/dbraw/zinc/00/88/74/995008874.db2.gz BKKNGZQZOWAHKS-ZYKLXPEUSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482079108 995016862 /nfs/dbraw/zinc/01/68/62/995016862.db2.gz GVOFBWAELSVJDY-RPWUZVMVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482079108 995016874 /nfs/dbraw/zinc/01/68/74/995016874.db2.gz GVOFBWAELSVJDY-RPWUZVMVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000474064886 995052618 /nfs/dbraw/zinc/05/26/18/995052618.db2.gz ZVXZEDDJQYEYKN-HSZRJFAPSA-N 2 2 410.558 3.918 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)o1 ZINC000482112464 995060030 /nfs/dbraw/zinc/06/00/30/995060030.db2.gz FCMNFPALAOKRRF-IBGZPJMESA-N 2 2 404.514 3.731 20 0 HHADLP Cc1cc2cc([C@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc2cc1C ZINC000482127091 995076060 /nfs/dbraw/zinc/07/60/60/995076060.db2.gz ZPKNGXMWMLSRNT-IBGZPJMESA-N 2 2 406.530 3.834 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000482224014 995208866 /nfs/dbraw/zinc/20/88/66/995208866.db2.gz OUURBEBGPNNJTN-VXKWHMMOSA-N 2 2 412.530 3.591 20 0 HHADLP O=C(CC[NH2+]CCCc1c(Cl)cccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000482260407 995238296 /nfs/dbraw/zinc/23/82/96/995238296.db2.gz VKDGFQUHBLQTDI-UHFFFAOYSA-N 2 2 421.372 3.650 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000474248631 995246088 /nfs/dbraw/zinc/24/60/88/995246088.db2.gz LKAJRNYEKXOHCG-UHFFFAOYSA-N 2 2 416.997 3.697 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000474255353 995253941 /nfs/dbraw/zinc/25/39/41/995253941.db2.gz XVNDIJQFVVEGIM-OALUTQOASA-N 2 2 405.546 3.812 20 0 HHADLP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000482403426 995389484 /nfs/dbraw/zinc/38/94/84/995389484.db2.gz RQQZKUIYNHDKKS-UHFFFAOYSA-N 2 2 418.541 3.673 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615501 995567013 /nfs/dbraw/zinc/56/70/13/995567013.db2.gz KTHLGGGJRQOOHF-YKSBVNFPSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000474615501 995567021 /nfs/dbraw/zinc/56/70/21/995567021.db2.gz KTHLGGGJRQOOHF-YKSBVNFPSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000482627312 995621951 /nfs/dbraw/zinc/62/19/51/995621951.db2.gz GIMHNBAZPXNDSC-KWMCUTETSA-N 2 2 420.022 3.940 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633474 995627511 /nfs/dbraw/zinc/62/75/11/995627511.db2.gz XKXFMMGBMXSGMM-FUHWJXTLSA-N 2 2 418.994 3.770 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633474 995627515 /nfs/dbraw/zinc/62/75/15/995627515.db2.gz XKXFMMGBMXSGMM-FUHWJXTLSA-N 2 2 418.994 3.770 20 0 HHADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000474735320 995668963 /nfs/dbraw/zinc/66/89/63/995668963.db2.gz KOYWRZZLQFTVOP-XZOQPEGZSA-N 2 2 423.605 3.702 20 0 HHADLP C[C@@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056157 995894390 /nfs/dbraw/zinc/89/43/90/995894390.db2.gz DFXQLOLZKYONKH-ZCYQVOJMSA-N 2 2 422.617 3.911 20 0 HHADLP C[C@@H](CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)OCc1ccccc1 ZINC000475056157 995894399 /nfs/dbraw/zinc/89/43/99/995894399.db2.gz DFXQLOLZKYONKH-ZCYQVOJMSA-N 2 2 422.617 3.911 20 0 HHADLP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000483262111 996068211 /nfs/dbraw/zinc/06/82/11/996068211.db2.gz VJCUNQRZEDWQRK-MRXNPFEDSA-N 2 2 409.290 3.967 20 0 HHADLP CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475374349 996098615 /nfs/dbraw/zinc/09/86/15/996098615.db2.gz VEUSWYYKIWMSEW-QFIPXVFZSA-N 2 2 405.546 3.921 20 0 HHADLP CCCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475374349 996098621 /nfs/dbraw/zinc/09/86/21/996098621.db2.gz VEUSWYYKIWMSEW-QFIPXVFZSA-N 2 2 405.546 3.921 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470071 996200542 /nfs/dbraw/zinc/20/05/42/996200542.db2.gz FTNRZCURFVRVKB-NFBKMPQASA-N 2 2 401.570 3.903 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470071 996200545 /nfs/dbraw/zinc/20/05/45/996200545.db2.gz FTNRZCURFVRVKB-NFBKMPQASA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470071 996200551 /nfs/dbraw/zinc/20/05/51/996200551.db2.gz FTNRZCURFVRVKB-NFBKMPQASA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470071 996200555 /nfs/dbraw/zinc/20/05/55/996200555.db2.gz FTNRZCURFVRVKB-NFBKMPQASA-N 2 2 401.570 3.903 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000475524630 996201216 /nfs/dbraw/zinc/20/12/16/996201216.db2.gz ARNVBPLUXCCFNR-UHFFFAOYSA-N 2 2 413.472 3.768 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1C ZINC000483676765 996323335 /nfs/dbraw/zinc/32/33/35/996323335.db2.gz GTXAXSPPYIKMKU-QFIPXVFZSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C ZINC000483676765 996323339 /nfs/dbraw/zinc/32/33/39/996323339.db2.gz GTXAXSPPYIKMKU-QFIPXVFZSA-N 2 2 410.562 3.759 20 0 HHADLP COCCOc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000484068053 996552045 /nfs/dbraw/zinc/55/20/45/996552045.db2.gz OVPMUYIZAHKXNX-UHFFFAOYSA-N 2 2 406.530 3.528 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162275 996609409 /nfs/dbraw/zinc/60/94/09/996609409.db2.gz KBMKLGCPTROYJG-RIFZZMRRSA-N 2 2 408.464 3.961 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162275 996609412 /nfs/dbraw/zinc/60/94/12/996609412.db2.gz KBMKLGCPTROYJG-RIFZZMRRSA-N 2 2 408.464 3.961 20 0 HHADLP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170006 996613976 /nfs/dbraw/zinc/61/39/76/996613976.db2.gz CWWLKSPERWXKSD-RTWAWAEBSA-N 2 2 408.464 3.620 20 0 HHADLP COC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170006 996613980 /nfs/dbraw/zinc/61/39/80/996613980.db2.gz CWWLKSPERWXKSD-RTWAWAEBSA-N 2 2 408.464 3.620 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484180520 996620445 /nfs/dbraw/zinc/62/04/45/996620445.db2.gz RZBGKPFQLMELAY-SBUREZEXSA-N 2 2 408.571 3.801 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484180520 996620449 /nfs/dbraw/zinc/62/04/49/996620449.db2.gz RZBGKPFQLMELAY-SBUREZEXSA-N 2 2 408.571 3.801 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000476157493 996642014 /nfs/dbraw/zinc/64/20/14/996642014.db2.gz OVAFYDWKVRSQGJ-ROUUACIJSA-N 2 2 411.546 3.588 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nnn1-c1ccc(F)cc1 ZINC000484467125 996786748 /nfs/dbraw/zinc/78/67/48/996786748.db2.gz MSERAEKNDSCPTG-QGZVFWFLSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000484499186 996825107 /nfs/dbraw/zinc/82/51/07/996825107.db2.gz LQJLXVONHLDOBI-NKKJXINNSA-N 2 2 409.574 3.948 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000484499186 996825120 /nfs/dbraw/zinc/82/51/20/996825120.db2.gz LQJLXVONHLDOBI-NKKJXINNSA-N 2 2 409.574 3.948 20 0 HHADLP O=C(C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484612485 996945056 /nfs/dbraw/zinc/94/50/56/996945056.db2.gz FBSBSKSALWXJSV-RPWUZVMVSA-N 2 2 407.558 3.773 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489064 996971513 /nfs/dbraw/zinc/97/15/13/996971513.db2.gz KWTBDYOYQCSVGY-UXHICEINSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476489064 996971538 /nfs/dbraw/zinc/97/15/38/996971538.db2.gz KWTBDYOYQCSVGY-UXHICEINSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489064 996971550 /nfs/dbraw/zinc/97/15/50/996971550.db2.gz KWTBDYOYQCSVGY-UXHICEINSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476489064 996971564 /nfs/dbraw/zinc/97/15/64/996971564.db2.gz KWTBDYOYQCSVGY-UXHICEINSA-N 2 2 424.589 3.857 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004025 997367943 /nfs/dbraw/zinc/36/79/43/997367943.db2.gz UKPDHVJJGHUASU-HUUJSLGLSA-N 2 2 402.583 3.632 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004025 997367954 /nfs/dbraw/zinc/36/79/54/997367954.db2.gz UKPDHVJJGHUASU-HUUJSLGLSA-N 2 2 402.583 3.632 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004025 997367965 /nfs/dbraw/zinc/36/79/65/997367965.db2.gz UKPDHVJJGHUASU-HUUJSLGLSA-N 2 2 402.583 3.632 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000485004025 997367976 /nfs/dbraw/zinc/36/79/76/997367976.db2.gz UKPDHVJJGHUASU-HUUJSLGLSA-N 2 2 402.583 3.632 20 0 HHADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045908 997683097 /nfs/dbraw/zinc/68/30/97/997683097.db2.gz BXOMMKRKXZGZBM-XMMPIXPASA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045908 997683104 /nfs/dbraw/zinc/68/31/04/997683104.db2.gz BXOMMKRKXZGZBM-XMMPIXPASA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045908 997683113 /nfs/dbraw/zinc/68/31/13/997683113.db2.gz BXOMMKRKXZGZBM-XMMPIXPASA-N 2 2 422.960 3.836 20 0 HHADLP O=c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ccc(Cl)cn12 ZINC000477045908 997683121 /nfs/dbraw/zinc/68/31/21/997683121.db2.gz BXOMMKRKXZGZBM-XMMPIXPASA-N 2 2 422.960 3.836 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccsc1 ZINC000485294457 997698534 /nfs/dbraw/zinc/69/85/34/997698534.db2.gz AGRRUDGQNAHVNZ-PKOBYXMFSA-N 2 2 403.596 3.529 20 0 HHADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226513 997900871 /nfs/dbraw/zinc/90/08/71/997900871.db2.gz YFAJWAUPZOPUOU-MOPGFXCFSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226513 997900874 /nfs/dbraw/zinc/90/08/74/997900874.db2.gz YFAJWAUPZOPUOU-MOPGFXCFSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226513 997900882 /nfs/dbraw/zinc/90/08/82/997900882.db2.gz YFAJWAUPZOPUOU-MOPGFXCFSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226513 997900887 /nfs/dbraw/zinc/90/08/87/997900887.db2.gz YFAJWAUPZOPUOU-MOPGFXCFSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000477255706 997931370 /nfs/dbraw/zinc/93/13/70/997931370.db2.gz WJIQUQIDZSTZPP-IBGZPJMESA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000477255706 997931384 /nfs/dbraw/zinc/93/13/84/997931384.db2.gz WJIQUQIDZSTZPP-IBGZPJMESA-N 2 2 422.976 3.713 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)cc1 ZINC000485504420 997961534 /nfs/dbraw/zinc/96/15/34/997961534.db2.gz LHXYMNLIXHCLEF-IFMALSPDSA-N 2 2 409.578 3.530 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000477288488 997972851 /nfs/dbraw/zinc/97/28/51/997972851.db2.gz HJTFNESSZAZIRO-VQTJNVASSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000477288488 997972863 /nfs/dbraw/zinc/97/28/63/997972863.db2.gz HJTFNESSZAZIRO-VQTJNVASSA-N 2 2 422.976 3.713 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785024 998256472 /nfs/dbraw/zinc/25/64/72/998256472.db2.gz KHXWLYUQAXEFAL-FGZHOGPDSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785024 998256484 /nfs/dbraw/zinc/25/64/84/998256484.db2.gz KHXWLYUQAXEFAL-FGZHOGPDSA-N 2 2 401.501 3.982 20 0 HHADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000485973967 998416106 /nfs/dbraw/zinc/41/61/06/998416106.db2.gz DZUVBNLNIQKBLT-FPOVZHCZSA-N 2 2 401.530 3.905 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000486107974 998555012 /nfs/dbraw/zinc/55/50/12/998555012.db2.gz GISOXYGSSHKKAU-UEXGIBASSA-N 2 2 415.607 3.529 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000486107974 998555019 /nfs/dbraw/zinc/55/50/19/998555019.db2.gz GISOXYGSSHKKAU-UEXGIBASSA-N 2 2 415.607 3.529 20 0 HHADLP COC(=O)c1csc(-c2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2)n1 ZINC000477856162 998607753 /nfs/dbraw/zinc/60/77/53/998607753.db2.gz XRTSUUFQIDDJEX-UHFFFAOYSA-N 2 2 408.527 3.750 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486160612 998609521 /nfs/dbraw/zinc/60/95/21/998609521.db2.gz WAXAFGIFJULRSY-MBDNFAEBSA-N 2 2 419.560 3.831 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486160612 998609525 /nfs/dbraw/zinc/60/95/25/998609525.db2.gz WAXAFGIFJULRSY-MBDNFAEBSA-N 2 2 419.560 3.831 20 0 HHADLP COc1cccc(CC2(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000486253617 998677500 /nfs/dbraw/zinc/67/75/00/998677500.db2.gz HZUMEUYWTNRPNX-UHFFFAOYSA-N 2 2 415.622 3.673 20 0 HHADLP COc1cccc(CC2(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)CCCCC2)c1 ZINC000486253617 998677502 /nfs/dbraw/zinc/67/75/02/998677502.db2.gz HZUMEUYWTNRPNX-UHFFFAOYSA-N 2 2 415.622 3.673 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477969593 998689924 /nfs/dbraw/zinc/68/99/24/998689924.db2.gz ROHKUYQKVGRCCP-SOAGJPPSSA-N 2 2 420.395 3.719 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000478060884 998742656 /nfs/dbraw/zinc/74/26/56/998742656.db2.gz OQJUAUXRROAACY-OAQYLSRUSA-N 2 2 413.606 3.581 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000478060884 998742661 /nfs/dbraw/zinc/74/26/61/998742661.db2.gz OQJUAUXRROAACY-OAQYLSRUSA-N 2 2 413.606 3.581 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000478376573 998925713 /nfs/dbraw/zinc/92/57/13/998925713.db2.gz CYPOMXDPLLOXEA-MRXNPFEDSA-N 2 2 410.965 3.790 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486981881 999026663 /nfs/dbraw/zinc/02/66/63/999026663.db2.gz SVHBVESXSSLMHR-IYBDPMFKSA-N 2 2 405.384 3.950 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486981881 999026664 /nfs/dbraw/zinc/02/66/64/999026664.db2.gz SVHBVESXSSLMHR-IYBDPMFKSA-N 2 2 405.384 3.950 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487086936 999058783 /nfs/dbraw/zinc/05/87/83/999058783.db2.gz HZGHIUSDWWPEDC-LEWJYISDSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487086936 999058787 /nfs/dbraw/zinc/05/87/87/999058787.db2.gz HZGHIUSDWWPEDC-LEWJYISDSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000478749350 999121191 /nfs/dbraw/zinc/12/11/91/999121191.db2.gz LAISHFOTSLPRFY-XXBNENTESA-N 2 2 405.546 3.730 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974307 999332920 /nfs/dbraw/zinc/33/29/20/999332920.db2.gz BEFFETBBMNUPAI-SBHAEUEKSA-N 2 2 420.504 3.685 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974307 999332924 /nfs/dbraw/zinc/33/29/24/999332924.db2.gz BEFFETBBMNUPAI-SBHAEUEKSA-N 2 2 420.504 3.685 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)([NH+]2CCCCC2)CC1 ZINC000479310562 999378228 /nfs/dbraw/zinc/37/82/28/999378228.db2.gz GZOSFRSBBFGQHO-UHFFFAOYSA-N 2 2 420.548 3.589 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)CC1 ZINC000488116528 999381591 /nfs/dbraw/zinc/38/15/91/999381591.db2.gz XGTNLYGRLRTHEY-UHFFFAOYSA-N 2 2 408.590 3.651 20 0 HHADLP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479332833 999390136 /nfs/dbraw/zinc/39/01/36/999390136.db2.gz UXUGYIOOZJKTCZ-XMMPIXPASA-N 2 2 402.542 3.872 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000488790231 999608585 /nfs/dbraw/zinc/60/85/85/999608585.db2.gz BWOCGZYHTCBSRP-XMSQKQJNSA-N 2 2 415.965 3.523 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1Cl ZINC000479903919 999642806 /nfs/dbraw/zinc/64/28/06/999642806.db2.gz RPYYWIMRTKWIDQ-QGZVFWFLSA-N 2 2 411.937 3.604 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(cc(Cl)cc4Cl)[nH]3)CC2)CC1 ZINC000479906776 999644127 /nfs/dbraw/zinc/64/41/27/999644127.db2.gz ABQDMPBUHFLBRZ-UHFFFAOYSA-N 2 2 409.361 3.763 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147908 999711817 /nfs/dbraw/zinc/71/18/17/999711817.db2.gz MJJRFTVEOIXDAZ-YADHBBJMSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147908 999711820 /nfs/dbraw/zinc/71/18/20/999711820.db2.gz MJJRFTVEOIXDAZ-YADHBBJMSA-N 2 2 412.553 3.783 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201824 999721340 /nfs/dbraw/zinc/72/13/40/999721340.db2.gz YPSWWHQYZVDLAF-QKLQHJQFSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201824 999721343 /nfs/dbraw/zinc/72/13/43/999721343.db2.gz YPSWWHQYZVDLAF-QKLQHJQFSA-N 2 2 420.479 3.664 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278701 999735690 /nfs/dbraw/zinc/73/56/90/999735690.db2.gz OUROQDJYYRFVBV-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278701 999735692 /nfs/dbraw/zinc/73/56/92/999735692.db2.gz OUROQDJYYRFVBV-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247651 999755757 /nfs/dbraw/zinc/75/57/57/999755757.db2.gz MTXCKWHIALSOME-KXEAFHOWSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000480247651 999755759 /nfs/dbraw/zinc/75/57/59/999755759.db2.gz MTXCKWHIALSOME-KXEAFHOWSA-N 3 2 417.638 3.522 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000489421195 999763749 /nfs/dbraw/zinc/76/37/49/999763749.db2.gz JCJYKYKAFDKOBB-MRXNPFEDSA-N 2 2 401.942 3.696 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000489421195 999763752 /nfs/dbraw/zinc/76/37/52/999763752.db2.gz JCJYKYKAFDKOBB-MRXNPFEDSA-N 2 2 401.942 3.696 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424790 999764756 /nfs/dbraw/zinc/76/47/56/999764756.db2.gz KRSOJWQCIPITPK-GCJKJVERSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424790 999764757 /nfs/dbraw/zinc/76/47/57/999764757.db2.gz KRSOJWQCIPITPK-GCJKJVERSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424791 999764839 /nfs/dbraw/zinc/76/48/39/999764839.db2.gz KRSOJWQCIPITPK-PGRDOPGGSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424791 999764841 /nfs/dbraw/zinc/76/48/41/999764841.db2.gz KRSOJWQCIPITPK-PGRDOPGGSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424792 999764895 /nfs/dbraw/zinc/76/48/95/999764895.db2.gz KRSOJWQCIPITPK-XMSQKQJNSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000489424792 999764898 /nfs/dbraw/zinc/76/48/98/999764898.db2.gz KRSOJWQCIPITPK-XMSQKQJNSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480356938 999779088 /nfs/dbraw/zinc/77/90/88/999779088.db2.gz VNGTUVQZTSGMJL-AQNXPRMDSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480356938 999779089 /nfs/dbraw/zinc/77/90/89/999779089.db2.gz VNGTUVQZTSGMJL-AQNXPRMDSA-N 2 2 402.583 3.682 20 0 HHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480601963 999837825 /nfs/dbraw/zinc/83/78/25/999837825.db2.gz OULRXZVIWFQIJP-INIZCTEOSA-N 2 2 401.938 3.587 20 0 HHADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046388 999884411 /nfs/dbraw/zinc/88/44/11/999884411.db2.gz VPAGYRFYXXQAJX-OFNKIYASSA-N 2 2 407.558 3.644 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000490123868 999896507 /nfs/dbraw/zinc/89/65/07/999896507.db2.gz GJFFKTLTOFWUTQ-VWLOTQADSA-N 2 2 421.564 3.576 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)CC1 ZINC000490123722 999896542 /nfs/dbraw/zinc/89/65/42/999896542.db2.gz DQQDWSPOJVXRHY-RUZDIDTESA-N 2 2 421.564 3.576 20 0 HHADLP COc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC000490131059 999897703 /nfs/dbraw/zinc/89/77/03/999897703.db2.gz SDKPFWJTHXPSCH-RUZDIDTESA-N 2 2 420.532 3.860 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237146 999917920 /nfs/dbraw/zinc/91/79/20/999917920.db2.gz BYWHXVYBAQXVMT-FPOVZHCZSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000490237146 999917922 /nfs/dbraw/zinc/91/79/22/999917922.db2.gz BYWHXVYBAQXVMT-FPOVZHCZSA-N 2 2 422.598 3.903 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000491026894 1000035874 /nfs/dbraw/zinc/03/58/74/1000035874.db2.gz ZMFVZZLKOJYNCI-HRAATJIYSA-N 2 2 420.370 3.903 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051890 1000039417 /nfs/dbraw/zinc/03/94/17/1000039417.db2.gz KLICFDRDZVNVLJ-NQIIRXRSSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051890 1000039419 /nfs/dbraw/zinc/03/94/19/1000039419.db2.gz KLICFDRDZVNVLJ-NQIIRXRSSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051891 1000039515 /nfs/dbraw/zinc/03/95/15/1000039515.db2.gz KLICFDRDZVNVLJ-RXVVDRJESA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051891 1000039516 /nfs/dbraw/zinc/03/95/16/1000039516.db2.gz KLICFDRDZVNVLJ-RXVVDRJESA-N 2 2 403.929 3.746 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000491979727 1000103337 /nfs/dbraw/zinc/10/33/37/1000103337.db2.gz VZYPFFYOQGETLS-QHCPKHFHSA-N 2 2 402.542 3.606 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000491979727 1000103338 /nfs/dbraw/zinc/10/33/38/1000103338.db2.gz VZYPFFYOQGETLS-QHCPKHFHSA-N 2 2 402.542 3.606 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492040005 1000106172 /nfs/dbraw/zinc/10/61/72/1000106172.db2.gz HYJZRAJMXQZCOQ-GOSISDBHSA-N 2 2 404.518 3.674 20 0 HHADLP CC(C)Oc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000492062418 1000107636 /nfs/dbraw/zinc/10/76/36/1000107636.db2.gz NGEDIMKJTAIVNN-UHFFFAOYSA-N 2 2 407.986 3.503 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492237008 1000117253 /nfs/dbraw/zinc/11/72/53/1000117253.db2.gz PFIUCWUGZPSVRQ-HNNXBMFYSA-N 2 2 414.377 3.755 20 0 HHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401008 1000125277 /nfs/dbraw/zinc/12/52/77/1000125277.db2.gz OGIFABXUPIKGAN-HKUYNNGSSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401008 1000125278 /nfs/dbraw/zinc/12/52/78/1000125278.db2.gz OGIFABXUPIKGAN-HKUYNNGSSA-N 2 2 406.979 3.614 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000493007040 1000153900 /nfs/dbraw/zinc/15/39/00/1000153900.db2.gz GHKJHJHXPVXQDE-HSZRJFAPSA-N 2 2 419.972 3.548 20 0 HHADLP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494251369 1000389278 /nfs/dbraw/zinc/38/92/78/1000389278.db2.gz PTQZVFSFFPSOOR-RUZDIDTESA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494251369 1000389282 /nfs/dbraw/zinc/38/92/82/1000389282.db2.gz PTQZVFSFFPSOOR-RUZDIDTESA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494251369 1000389287 /nfs/dbraw/zinc/38/92/87/1000389287.db2.gz PTQZVFSFFPSOOR-RUZDIDTESA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494251369 1000389293 /nfs/dbraw/zinc/38/92/93/1000389293.db2.gz PTQZVFSFFPSOOR-RUZDIDTESA-N 2 2 418.585 3.570 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494309065 1000424469 /nfs/dbraw/zinc/42/44/69/1000424469.db2.gz IXOCXANWBGECKJ-UHFFFAOYSA-N 2 2 409.759 3.539 20 0 HHADLP C[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447689 1000497335 /nfs/dbraw/zinc/49/73/35/1000497335.db2.gz BSHVQQPPUGOEEI-PKTZIBPZSA-N 2 2 421.520 3.682 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447689 1000497340 /nfs/dbraw/zinc/49/73/40/1000497340.db2.gz BSHVQQPPUGOEEI-PKTZIBPZSA-N 2 2 421.520 3.682 20 0 HHADLP CCc1c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1CCC(C)C ZINC000494943168 1000744603 /nfs/dbraw/zinc/74/46/03/1000744603.db2.gz UMCFPTQOHFATRU-UHFFFAOYSA-N 2 2 418.630 3.563 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCC(c1ccccc1)c1ccccc1 ZINC000495005356 1000774427 /nfs/dbraw/zinc/77/44/27/1000774427.db2.gz JDBWXDPWKUILKA-QFIPXVFZSA-N 2 2 402.542 3.928 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCC(c1ccccc1)c1ccccc1 ZINC000495005356 1000774436 /nfs/dbraw/zinc/77/44/36/1000774436.db2.gz JDBWXDPWKUILKA-QFIPXVFZSA-N 2 2 402.542 3.928 20 0 HHADLP Cc1sc2nc([C@@H](C)[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)[nH]c(=O)c2c1C ZINC000506005638 1001156570 /nfs/dbraw/zinc/15/65/70/1001156570.db2.gz AVIILRXAJQALDV-MRXNPFEDSA-N 2 2 418.607 3.899 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](C5CC[NH+](C)CC5)CC4)cc3c2C1 ZINC000497425285 1001357360 /nfs/dbraw/zinc/35/73/60/1001357360.db2.gz LLFZYIHWTOWUQK-KRWDZBQOSA-N 2 2 408.590 3.581 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497474967 1001385960 /nfs/dbraw/zinc/38/59/60/1001385960.db2.gz VXGRLXKIHHFQHA-XZOQPEGZSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000497474967 1001385967 /nfs/dbraw/zinc/38/59/67/1001385967.db2.gz VXGRLXKIHHFQHA-XZOQPEGZSA-N 2 2 413.512 3.738 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497643572 1001470061 /nfs/dbraw/zinc/47/00/61/1001470061.db2.gz RQEQIWMFYMPMPX-GQWLDOHISA-N 2 2 419.520 3.629 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497643572 1001470063 /nfs/dbraw/zinc/47/00/63/1001470063.db2.gz RQEQIWMFYMPMPX-GQWLDOHISA-N 2 2 419.520 3.629 20 0 HHADLP CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506771745 1001521932 /nfs/dbraw/zinc/52/19/32/1001521932.db2.gz JHOVZIVFRQJWHY-UHFFFAOYSA-N 2 2 408.590 3.850 20 0 HHADLP CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506771745 1001521935 /nfs/dbraw/zinc/52/19/35/1001521935.db2.gz JHOVZIVFRQJWHY-UHFFFAOYSA-N 2 2 408.590 3.850 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913813 1001591225 /nfs/dbraw/zinc/59/12/25/1001591225.db2.gz GCNOFNAYMAXNJW-UNMCSNQZSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913813 1001591229 /nfs/dbraw/zinc/59/12/29/1001591229.db2.gz GCNOFNAYMAXNJW-UNMCSNQZSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913812 1001591349 /nfs/dbraw/zinc/59/13/49/1001591349.db2.gz GCNOFNAYMAXNJW-RBBKRZOGSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913812 1001591354 /nfs/dbraw/zinc/59/13/54/1001591354.db2.gz GCNOFNAYMAXNJW-RBBKRZOGSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCOCC1)c1ccccc1 ZINC000498016329 1001606291 /nfs/dbraw/zinc/60/62/91/1001606291.db2.gz BYOQZVRFMGTQQR-FQEVSTJZSA-N 2 2 418.541 3.561 20 0 HHADLP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCCCC1 ZINC000507065046 1001788477 /nfs/dbraw/zinc/78/84/77/1001788477.db2.gz OJCHSVCVMZTBGY-LJQANCHMSA-N 2 2 401.599 3.763 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)cn2c1 ZINC000498364886 1001797388 /nfs/dbraw/zinc/79/73/88/1001797388.db2.gz QANSFTXECNTGIO-HXUWFJFHSA-N 2 2 402.608 3.749 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125434 1001823779 /nfs/dbraw/zinc/82/37/79/1001823779.db2.gz HEXZJDJQGBRSQF-YADHBBJMSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125434 1001823787 /nfs/dbraw/zinc/82/37/87/1001823787.db2.gz HEXZJDJQGBRSQF-YADHBBJMSA-N 2 2 421.589 3.773 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000498422088 1001852108 /nfs/dbraw/zinc/85/21/08/1001852108.db2.gz KRXCDHCVGZSLQO-UHFFFAOYSA-N 2 2 418.585 3.788 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000498422088 1001852123 /nfs/dbraw/zinc/85/21/23/1001852123.db2.gz KRXCDHCVGZSLQO-UHFFFAOYSA-N 2 2 418.585 3.788 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000507439838 1002071746 /nfs/dbraw/zinc/07/17/46/1002071746.db2.gz GMUUNHRZCLYZKO-UHFFFAOYSA-N 2 2 408.590 3.824 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000507439838 1002071752 /nfs/dbraw/zinc/07/17/52/1002071752.db2.gz GMUUNHRZCLYZKO-UHFFFAOYSA-N 2 2 408.590 3.824 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000498699969 1002085785 /nfs/dbraw/zinc/08/57/85/1002085785.db2.gz CFPCIEHPOCDPLK-FPOVZHCZSA-N 2 2 410.562 3.759 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000498699969 1002085794 /nfs/dbraw/zinc/08/57/94/1002085794.db2.gz CFPCIEHPOCDPLK-FPOVZHCZSA-N 2 2 410.562 3.759 20 0 HHADLP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800062 1002352154 /nfs/dbraw/zinc/35/21/54/1002352154.db2.gz YDCQEIXGAPUDQE-ZEQRLZLVSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800062 1002352163 /nfs/dbraw/zinc/35/21/63/1002352163.db2.gz YDCQEIXGAPUDQE-ZEQRLZLVSA-N 2 2 421.564 3.617 20 0 HHADLP C[NH+]1CCC(C)(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000508061454 1002582092 /nfs/dbraw/zinc/58/20/92/1002582092.db2.gz WZUPJNVWHYEQPH-SFHVURJKSA-N 2 2 410.965 3.647 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000499247534 1002642947 /nfs/dbraw/zinc/64/29/47/1002642947.db2.gz FHXLSGXRLZYTTQ-KJJMTIBFSA-N 2 2 405.542 3.586 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000499247534 1002642957 /nfs/dbraw/zinc/64/29/57/1002642957.db2.gz FHXLSGXRLZYTTQ-KJJMTIBFSA-N 2 2 405.542 3.586 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000508305259 1002811342 /nfs/dbraw/zinc/81/13/42/1002811342.db2.gz KOJFECSTSVYTHN-WHIOSMTNSA-N 2 2 410.606 3.824 20 0 HHADLP CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000499482813 1002869191 /nfs/dbraw/zinc/86/91/91/1002869191.db2.gz FGFAOZFSLHGKOE-LJQANCHMSA-N 2 2 400.611 3.599 20 0 HHADLP CCC[N@H+](Cc1ncnn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000499536691 1002922309 /nfs/dbraw/zinc/92/23/09/1002922309.db2.gz LCDVTCDKUGVMJJ-UHFFFAOYSA-N 2 2 405.550 3.555 20 0 HHADLP CCC[N@@H+](Cc1ncnn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000499536691 1002922315 /nfs/dbraw/zinc/92/23/15/1002922315.db2.gz LCDVTCDKUGVMJJ-UHFFFAOYSA-N 2 2 405.550 3.555 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3)CC(C)(C)C)CC2)CC1 ZINC000508563100 1003031934 /nfs/dbraw/zinc/03/19/34/1003031934.db2.gz IJQWWYMTVIZSTG-UHFFFAOYSA-N 2 2 400.611 3.803 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790291 1003125505 /nfs/dbraw/zinc/12/55/05/1003125505.db2.gz CQSZAVWYBSKBMB-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790291 1003125510 /nfs/dbraw/zinc/12/55/10/1003125510.db2.gz CQSZAVWYBSKBMB-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508888275 1003314835 /nfs/dbraw/zinc/31/48/35/1003314835.db2.gz HWDAKJAUMUXFLJ-VWLOTQADSA-N 2 2 409.574 3.778 20 0 HHADLP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508888275 1003314826 /nfs/dbraw/zinc/31/48/26/1003314826.db2.gz HWDAKJAUMUXFLJ-VWLOTQADSA-N 2 2 409.574 3.778 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000509008818 1003479849 /nfs/dbraw/zinc/47/98/49/1003479849.db2.gz RLGOQEXLUQFEOA-NRFANRHFSA-N 2 2 406.574 3.676 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020029 1003492187 /nfs/dbraw/zinc/49/21/87/1003492187.db2.gz BHIOQPYHARNIQS-UKILVPOCSA-N 3 2 406.618 3.699 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020029 1003492194 /nfs/dbraw/zinc/49/21/94/1003492194.db2.gz BHIOQPYHARNIQS-UKILVPOCSA-N 3 2 406.618 3.699 20 0 HHADLP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2NC1=O ZINC000509020134 1003493046 /nfs/dbraw/zinc/49/30/46/1003493046.db2.gz BYUNMOSZARADIB-WMZHIEFXSA-N 2 2 422.573 3.659 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000500393255 1003688684 /nfs/dbraw/zinc/68/86/84/1003688684.db2.gz MHHMMPMDWFXRCV-QHCPKHFHSA-N 2 2 404.514 3.507 20 0 HHADLP CC(C)N1C(=O)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511987214 1003938144 /nfs/dbraw/zinc/93/81/44/1003938144.db2.gz FVJHXJDQHSVKDD-XLIONFOSSA-N 2 2 424.973 3.837 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)s1 ZINC000512082336 1004008495 /nfs/dbraw/zinc/00/84/95/1004008495.db2.gz ILHIPFBPZWBFCX-KRWDZBQOSA-N 2 2 422.554 3.892 20 0 HHADLP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Br)c1 ZINC000512125263 1004040966 /nfs/dbraw/zinc/04/09/66/1004040966.db2.gz VNAUEVVXMIXYJX-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509713232 1004045646 /nfs/dbraw/zinc/04/56/46/1004045646.db2.gz NEGPMSIGALYDQD-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000509713232 1004045655 /nfs/dbraw/zinc/04/56/55/1004045655.db2.gz NEGPMSIGALYDQD-REWPJTCUSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509715258 1004047502 /nfs/dbraw/zinc/04/75/02/1004047502.db2.gz VOGVHEUVMWHNOG-TXTKFYIRSA-N 2 2 421.589 3.638 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178430 1004080439 /nfs/dbraw/zinc/08/04/39/1004080439.db2.gz AGUVKODMYNGESK-NHCUHLMSSA-N 2 2 409.578 3.610 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178430 1004080448 /nfs/dbraw/zinc/08/04/48/1004080448.db2.gz AGUVKODMYNGESK-NHCUHLMSSA-N 2 2 409.578 3.610 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178432 1004081108 /nfs/dbraw/zinc/08/11/08/1004081108.db2.gz AGUVKODMYNGESK-SFTDATJTSA-N 2 2 409.578 3.610 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000512178432 1004081114 /nfs/dbraw/zinc/08/11/14/1004081114.db2.gz AGUVKODMYNGESK-SFTDATJTSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197617 1004098182 /nfs/dbraw/zinc/09/81/82/1004098182.db2.gz UAMVWHPLXBNKRC-YKSBVNFPSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197617 1004098185 /nfs/dbraw/zinc/09/81/85/1004098185.db2.gz UAMVWHPLXBNKRC-YKSBVNFPSA-N 2 2 407.558 3.931 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512199909 1004101442 /nfs/dbraw/zinc/10/14/42/1004101442.db2.gz VXBQJGSLNCEUBV-RXVVDRJESA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512199909 1004101444 /nfs/dbraw/zinc/10/14/44/1004101444.db2.gz VXBQJGSLNCEUBV-RXVVDRJESA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512199909 1004101451 /nfs/dbraw/zinc/10/14/51/1004101451.db2.gz VXBQJGSLNCEUBV-RXVVDRJESA-N 2 2 404.599 3.538 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512199909 1004101456 /nfs/dbraw/zinc/10/14/56/1004101456.db2.gz VXBQJGSLNCEUBV-RXVVDRJESA-N 2 2 404.599 3.538 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1C ZINC000509799187 1004105084 /nfs/dbraw/zinc/10/50/84/1004105084.db2.gz PMJBWHNYPNEOLP-LJQANCHMSA-N 2 2 417.500 3.823 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1C ZINC000509799187 1004105098 /nfs/dbraw/zinc/10/50/98/1004105098.db2.gz PMJBWHNYPNEOLP-LJQANCHMSA-N 2 2 417.500 3.823 20 0 HHADLP CC(C)[NH+]1CCN(CCCN[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC1 ZINC000501005236 1004110337 /nfs/dbraw/zinc/11/03/37/1004110337.db2.gz AQDAXFQCYCYUFF-QHCPKHFHSA-N 2 2 422.608 3.886 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccco1 ZINC000501007487 1004112186 /nfs/dbraw/zinc/11/21/86/1004112186.db2.gz MWONXWILIZJPGG-OALUTQOASA-N 2 2 404.942 3.672 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000512215587 1004116934 /nfs/dbraw/zinc/11/69/34/1004116934.db2.gz KRSXSHPOTTURPG-UHFFFAOYSA-N 2 2 424.376 3.852 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509853461 1004150535 /nfs/dbraw/zinc/15/05/35/1004150535.db2.gz MHZMYMAUFCZFFS-MZKRTTBSSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000509853461 1004150545 /nfs/dbraw/zinc/15/05/45/1004150545.db2.gz MHZMYMAUFCZFFS-MZKRTTBSSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000509855730 1004152238 /nfs/dbraw/zinc/15/22/38/1004152238.db2.gz RCNOKBSUQNJNHP-RTBURBONSA-N 2 2 410.562 3.679 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000501056405 1004158349 /nfs/dbraw/zinc/15/83/49/1004158349.db2.gz TXAIPZFCYHSFMT-ZWKOTPCHSA-N 2 2 422.932 3.811 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000509893272 1004186677 /nfs/dbraw/zinc/18/66/77/1004186677.db2.gz JTDPHWCRBRVZIG-IGBVOLGGSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000509893272 1004186686 /nfs/dbraw/zinc/18/66/86/1004186686.db2.gz JTDPHWCRBRVZIG-IGBVOLGGSA-N 2 2 422.013 3.999 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104871 1004208230 /nfs/dbraw/zinc/20/82/30/1004208230.db2.gz MLXPALDEICTBRV-QSMXQIJUSA-N 2 2 420.504 3.732 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000501104871 1004208236 /nfs/dbraw/zinc/20/82/36/1004208236.db2.gz MLXPALDEICTBRV-QSMXQIJUSA-N 2 2 420.504 3.732 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501119052 1004216972 /nfs/dbraw/zinc/21/69/72/1004216972.db2.gz WNAMLVCEQUAXCU-QZTJIDSGSA-N 2 2 402.970 3.985 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000501229236 1004297996 /nfs/dbraw/zinc/29/79/96/1004297996.db2.gz SCDSZDWEAIANLF-IBGZPJMESA-N 2 2 414.594 3.856 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510097998 1004321841 /nfs/dbraw/zinc/32/18/41/1004321841.db2.gz FGXQUMGCLRINII-REWPJTCUSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510097998 1004321856 /nfs/dbraw/zinc/32/18/56/1004321856.db2.gz FGXQUMGCLRINII-REWPJTCUSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512539357 1004370835 /nfs/dbraw/zinc/37/08/35/1004370835.db2.gz COXPMYDBDJZNHT-REWPJTCUSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1C[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000512539357 1004370840 /nfs/dbraw/zinc/37/08/40/1004370840.db2.gz COXPMYDBDJZNHT-REWPJTCUSA-N 2 2 402.542 3.962 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472198 /nfs/dbraw/zinc/47/21/98/1004472198.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512661175 1004472202 /nfs/dbraw/zinc/47/22/02/1004472202.db2.gz QFYNDDHECLMNKS-SDHOMARFSA-N 3 2 411.634 3.912 20 0 HHADLP COc1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)cc2)cc1 ZINC000512999072 1004751726 /nfs/dbraw/zinc/75/17/26/1004751726.db2.gz YMSSQETVBICBKW-SEJPIABJSA-N 2 2 423.557 3.661 20 0 HHADLP COc1ccc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)cc2)cc1 ZINC000512999072 1004751731 /nfs/dbraw/zinc/75/17/31/1004751731.db2.gz YMSSQETVBICBKW-SEJPIABJSA-N 2 2 423.557 3.661 20 0 HHADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)sc1Br ZINC000513011759 1004758558 /nfs/dbraw/zinc/75/85/58/1004758558.db2.gz JGHLUEGNPTUYIE-AVOUXACISA-N 2 2 414.413 3.553 20 0 HHADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)sc1Br ZINC000513011759 1004758565 /nfs/dbraw/zinc/75/85/65/1004758565.db2.gz JGHLUEGNPTUYIE-AVOUXACISA-N 2 2 414.413 3.553 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513064700 1004787381 /nfs/dbraw/zinc/78/73/81/1004787381.db2.gz NYPLXVFERKNRQX-SDUSCBPUSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513064700 1004787389 /nfs/dbraw/zinc/78/73/89/1004787389.db2.gz NYPLXVFERKNRQX-SDUSCBPUSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513066379 1004788270 /nfs/dbraw/zinc/78/82/70/1004788270.db2.gz YVUJNIQMEYEAJY-LJQANCHMSA-N 2 2 407.562 3.658 20 0 HHADLP C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000510673525 1004791473 /nfs/dbraw/zinc/79/14/73/1004791473.db2.gz DANTZWIIINVSSD-FQEVSTJZSA-N 2 2 417.553 3.639 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501877024 1004792313 /nfs/dbraw/zinc/79/23/13/1004792313.db2.gz ZBAKGOFEHVBYTI-CMBBURJTSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501877024 1004792317 /nfs/dbraw/zinc/79/23/17/1004792317.db2.gz ZBAKGOFEHVBYTI-CMBBURJTSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881468 1004793546 /nfs/dbraw/zinc/79/35/46/1004793546.db2.gz KVQIFXZSPWFYGH-AQIXIELUSA-N 2 2 424.511 3.506 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881468 1004793552 /nfs/dbraw/zinc/79/35/52/1004793552.db2.gz KVQIFXZSPWFYGH-AQIXIELUSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881468 1004793560 /nfs/dbraw/zinc/79/35/60/1004793560.db2.gz KVQIFXZSPWFYGH-AQIXIELUSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881468 1004793567 /nfs/dbraw/zinc/79/35/67/1004793567.db2.gz KVQIFXZSPWFYGH-AQIXIELUSA-N 2 2 424.511 3.506 20 0 HHADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513127218 1004821738 /nfs/dbraw/zinc/82/17/38/1004821738.db2.gz FGQHCDRPCYZVLA-DFNIBXOVSA-N 2 2 401.352 3.963 20 0 HHADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513127218 1004821744 /nfs/dbraw/zinc/82/17/44/1004821744.db2.gz FGQHCDRPCYZVLA-DFNIBXOVSA-N 2 2 401.352 3.963 20 0 HHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513127218 1004821750 /nfs/dbraw/zinc/82/17/50/1004821750.db2.gz FGQHCDRPCYZVLA-DFNIBXOVSA-N 2 2 401.352 3.963 20 0 HHADLP C[NH+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513127218 1004821755 /nfs/dbraw/zinc/82/17/55/1004821755.db2.gz FGQHCDRPCYZVLA-DFNIBXOVSA-N 2 2 401.352 3.963 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000510880821 1004907824 /nfs/dbraw/zinc/90/78/24/1004907824.db2.gz LJALWYTYTUXSHM-ZWKOTPCHSA-N 2 2 418.548 3.698 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000510880821 1004907827 /nfs/dbraw/zinc/90/78/27/1004907827.db2.gz LJALWYTYTUXSHM-ZWKOTPCHSA-N 2 2 418.548 3.698 20 0 HHADLP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513326635 1004913035 /nfs/dbraw/zinc/91/30/35/1004913035.db2.gz ULQKOXJGPXLXAE-UHFFFAOYSA-N 2 2 402.926 3.639 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943543 1004946762 /nfs/dbraw/zinc/94/67/62/1004946762.db2.gz GXOVZUADGCZIGT-PGRDOPGGSA-N 2 2 415.603 3.546 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943543 1004946764 /nfs/dbraw/zinc/94/67/64/1004946764.db2.gz GXOVZUADGCZIGT-PGRDOPGGSA-N 2 2 415.603 3.546 20 0 HHADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000510974859 1004961695 /nfs/dbraw/zinc/96/16/95/1004961695.db2.gz HSKSFFJGSYYDAG-NRFANRHFSA-N 2 2 419.497 3.643 20 0 HHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000502314127 1005006569 /nfs/dbraw/zinc/00/65/69/1005006569.db2.gz YDIVCCKNDQWRMS-IRFCIJBXSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000502314127 1005006576 /nfs/dbraw/zinc/00/65/76/1005006576.db2.gz YDIVCCKNDQWRMS-IRFCIJBXSA-N 2 2 402.583 3.682 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502321444 1005010772 /nfs/dbraw/zinc/01/07/72/1005010772.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 3 2 407.606 3.741 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502321444 1005010781 /nfs/dbraw/zinc/01/07/81/1005010781.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 3 2 407.606 3.741 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558756 1005021861 /nfs/dbraw/zinc/02/18/61/1005021861.db2.gz DSFQYPZOCRTMOD-GOTSBHOMSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558756 1005021865 /nfs/dbraw/zinc/02/18/65/1005021865.db2.gz DSFQYPZOCRTMOD-GOTSBHOMSA-N 2 2 409.599 3.557 20 0 HHADLP C[N@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000513559739 1005022345 /nfs/dbraw/zinc/02/23/45/1005022345.db2.gz ZVMVWPYYCOGMTN-UHFFFAOYSA-N 2 2 404.986 3.847 20 0 HHADLP C[N@@H+](Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000513559739 1005022352 /nfs/dbraw/zinc/02/23/52/1005022352.db2.gz ZVMVWPYYCOGMTN-UHFFFAOYSA-N 2 2 404.986 3.847 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028682 /nfs/dbraw/zinc/02/86/82/1005028682.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 2 409.574 3.549 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028685 /nfs/dbraw/zinc/02/86/85/1005028685.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 2 409.574 3.549 20 0 HHADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028690 /nfs/dbraw/zinc/02/86/90/1005028690.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 2 409.574 3.549 20 0 HHADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000511120814 1005028693 /nfs/dbraw/zinc/02/86/93/1005028693.db2.gz MXCAOANJIJQEOZ-DEOSSOPVSA-N 2 2 409.574 3.549 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268560 1005099673 /nfs/dbraw/zinc/09/96/73/1005099673.db2.gz WTZYJVHSUWSCTJ-WBSKXUSRSA-N 2 2 410.606 3.680 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268560 1005099677 /nfs/dbraw/zinc/09/96/77/1005099677.db2.gz WTZYJVHSUWSCTJ-WBSKXUSRSA-N 2 2 410.606 3.680 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000511411173 1005164814 /nfs/dbraw/zinc/16/48/14/1005164814.db2.gz MVYHIROPAKLSPS-XMMPIXPASA-N 2 2 406.574 3.585 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000511411173 1005164817 /nfs/dbraw/zinc/16/48/17/1005164817.db2.gz MVYHIROPAKLSPS-XMMPIXPASA-N 2 2 406.574 3.585 20 0 HHADLP CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000513969949 1005207138 /nfs/dbraw/zinc/20/71/38/1005207138.db2.gz HDZWTDOTSLEZNG-UHFFFAOYSA-N 2 2 418.632 3.584 20 0 HHADLP CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000513969949 1005207142 /nfs/dbraw/zinc/20/71/42/1005207142.db2.gz HDZWTDOTSLEZNG-UHFFFAOYSA-N 2 2 418.632 3.584 20 0 HHADLP CCC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514028682 1005234424 /nfs/dbraw/zinc/23/44/24/1005234424.db2.gz IKNXMWULABNSNI-UHFFFAOYSA-N 2 2 405.546 3.826 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000511647731 1005260349 /nfs/dbraw/zinc/26/03/49/1005260349.db2.gz MQBWLCZEXKXKRA-UHFFFAOYSA-N 2 2 421.585 3.642 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)CC1 ZINC000502930564 1005279837 /nfs/dbraw/zinc/27/98/37/1005279837.db2.gz KUDRPZVYUNUXSV-UHFFFAOYSA-N 2 2 409.549 3.581 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)CC1 ZINC000502930564 1005279840 /nfs/dbraw/zinc/27/98/40/1005279840.db2.gz KUDRPZVYUNUXSV-UHFFFAOYSA-N 2 2 409.549 3.581 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000514166982 1005296200 /nfs/dbraw/zinc/29/62/00/1005296200.db2.gz IRYFOSZLQHKHHH-JOCHJYFZSA-N 2 2 409.509 3.894 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000514214396 1005316715 /nfs/dbraw/zinc/31/67/15/1005316715.db2.gz MYLLSPSNRYUEAA-DNVCBOLYSA-N 2 2 421.948 3.756 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503075490 1005340025 /nfs/dbraw/zinc/34/00/25/1005340025.db2.gz VBDDNZOMPJHESZ-WZONZLPQSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503075490 1005340027 /nfs/dbraw/zinc/34/00/27/1005340027.db2.gz VBDDNZOMPJHESZ-WZONZLPQSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000503098056 1005346970 /nfs/dbraw/zinc/34/69/70/1005346970.db2.gz XZAUNJCFXUVBBY-IEBWSBKVSA-N 2 2 410.518 3.836 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000503098056 1005346972 /nfs/dbraw/zinc/34/69/72/1005346972.db2.gz XZAUNJCFXUVBBY-IEBWSBKVSA-N 2 2 410.518 3.836 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3C[NH+](C)C)c2C1 ZINC000503219322 1005370663 /nfs/dbraw/zinc/37/06/63/1005370663.db2.gz FSTNLKIKYUVJBT-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccccc3C[NH+](C)C)c2C1 ZINC000503219322 1005370666 /nfs/dbraw/zinc/37/06/66/1005370666.db2.gz FSTNLKIKYUVJBT-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP CCCC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000503298427 1005385950 /nfs/dbraw/zinc/38/59/50/1005385950.db2.gz CEIZQVGLOJLNEL-QHCPKHFHSA-N 2 2 416.610 3.784 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371683 1005400695 /nfs/dbraw/zinc/40/06/95/1005400695.db2.gz UGHBURANMLEYED-KEAGSLSDSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371683 1005400696 /nfs/dbraw/zinc/40/06/96/1005400696.db2.gz UGHBURANMLEYED-KEAGSLSDSA-N 2 2 410.606 3.872 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374118 1005401058 /nfs/dbraw/zinc/40/10/58/1005401058.db2.gz YVRZXAJZBKQKFD-RBUKOAKNSA-N 2 2 423.561 3.752 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374118 1005401059 /nfs/dbraw/zinc/40/10/59/1005401059.db2.gz YVRZXAJZBKQKFD-RBUKOAKNSA-N 2 2 423.561 3.752 20 0 HHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000503375249 1005401420 /nfs/dbraw/zinc/40/14/20/1005401420.db2.gz KRAUTLNNKKACOR-NRFANRHFSA-N 2 2 419.577 3.923 20 0 HHADLP c1[nH+]c([C@H]2CCC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000503375249 1005401423 /nfs/dbraw/zinc/40/14/23/1005401423.db2.gz KRAUTLNNKKACOR-NRFANRHFSA-N 2 2 419.577 3.923 20 0 HHADLP C[C@H]1C[C@@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000503386975 1005405170 /nfs/dbraw/zinc/40/51/70/1005405170.db2.gz VATRAFHVSRUEPX-SBUREZEXSA-N 2 2 413.949 3.636 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503396087 1005407357 /nfs/dbraw/zinc/40/73/57/1005407357.db2.gz XAVFZKPKVRDBPP-HXUWFJFHSA-N 2 2 422.573 3.599 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C2CC2)cc1 ZINC000503396087 1005407360 /nfs/dbraw/zinc/40/73/60/1005407360.db2.gz XAVFZKPKVRDBPP-HXUWFJFHSA-N 2 2 422.573 3.599 20 0 HHADLP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437043 1005420152 /nfs/dbraw/zinc/42/01/52/1005420152.db2.gz WFAQSQKSZOJOFT-VQIMIIECSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437043 1005420154 /nfs/dbraw/zinc/42/01/54/1005420154.db2.gz WFAQSQKSZOJOFT-VQIMIIECSA-N 2 2 423.479 3.858 20 0 HHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437806 1005420495 /nfs/dbraw/zinc/42/04/95/1005420495.db2.gz YFONHBFJPHOPFW-ROUUACIJSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437806 1005420498 /nfs/dbraw/zinc/42/04/98/1005420498.db2.gz YFONHBFJPHOPFW-ROUUACIJSA-N 2 2 403.530 3.974 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439666 1005420677 /nfs/dbraw/zinc/42/06/77/1005420677.db2.gz KNXRHKFPHMEHGU-MOPGFXCFSA-N 2 2 410.562 3.627 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503439666 1005420678 /nfs/dbraw/zinc/42/06/78/1005420678.db2.gz KNXRHKFPHMEHGU-MOPGFXCFSA-N 2 2 410.562 3.627 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c2cccs2)CC1 ZINC000503494970 1005436732 /nfs/dbraw/zinc/43/67/32/1005436732.db2.gz OJEGOAKIAVQKPD-LJQANCHMSA-N 2 2 401.580 3.764 20 0 HHADLP O=c1ccccn1C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000503900886 1005507430 /nfs/dbraw/zinc/50/74/30/1005507430.db2.gz GSGXCRILISBSJS-VWLOTQADSA-N 2 2 401.554 3.886 20 0 HHADLP O=c1ccccn1C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000503900885 1005507483 /nfs/dbraw/zinc/50/74/83/1005507483.db2.gz GSGXCRILISBSJS-RUZDIDTESA-N 2 2 401.554 3.886 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000531077068 1005980641 /nfs/dbraw/zinc/98/06/41/1005980641.db2.gz FNFHIVXRRWVEDL-NRFANRHFSA-N 2 2 411.937 3.687 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000514440903 1005992113 /nfs/dbraw/zinc/99/21/13/1005992113.db2.gz FKEKTQTWSMSMGS-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000514440903 1005992124 /nfs/dbraw/zinc/99/21/24/1005992124.db2.gz FKEKTQTWSMSMGS-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534053883 1006022853 /nfs/dbraw/zinc/02/28/53/1006022853.db2.gz JNSKLLHVJPDWRA-QKNQBKEWSA-N 2 2 416.953 3.815 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534053883 1006022866 /nfs/dbraw/zinc/02/28/66/1006022866.db2.gz JNSKLLHVJPDWRA-QKNQBKEWSA-N 2 2 416.953 3.815 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3c(Br)ccc4F)cn2)CC1 ZINC000534059974 1006031325 /nfs/dbraw/zinc/03/13/25/1006031325.db2.gz VBEMUGTUWXLMKV-SFHVURJKSA-N 2 2 419.342 3.512 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000514578704 1006045806 /nfs/dbraw/zinc/04/58/06/1006045806.db2.gz AWYXFCPSOJPSCK-UHFFFAOYSA-N 2 2 407.562 3.667 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534198448 1006189039 /nfs/dbraw/zinc/18/90/39/1006189039.db2.gz TYJPSRDJGWQPPB-FCHUYYIVSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534198448 1006189042 /nfs/dbraw/zinc/18/90/42/1006189042.db2.gz TYJPSRDJGWQPPB-FCHUYYIVSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534198450 1006189264 /nfs/dbraw/zinc/18/92/64/1006189264.db2.gz TYJPSRDJGWQPPB-FGZHOGPDSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534198450 1006189269 /nfs/dbraw/zinc/18/92/69/1006189269.db2.gz TYJPSRDJGWQPPB-FGZHOGPDSA-N 2 2 402.583 3.634 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534203151 1006194589 /nfs/dbraw/zinc/19/45/89/1006194589.db2.gz SAKONZUGMOLLRH-RBUKOAKNSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534203151 1006194593 /nfs/dbraw/zinc/19/45/93/1006194593.db2.gz SAKONZUGMOLLRH-RBUKOAKNSA-N 2 2 400.558 3.543 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205341 1006197761 /nfs/dbraw/zinc/19/77/61/1006197761.db2.gz CCERGQPPQSPHCA-VXKWHMMOSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205341 1006197763 /nfs/dbraw/zinc/19/77/63/1006197763.db2.gz CCERGQPPQSPHCA-VXKWHMMOSA-N 2 2 402.583 3.886 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251934 1006260321 /nfs/dbraw/zinc/26/03/21/1006260321.db2.gz VWJDFNPOIRLOBL-JXFKEZNVSA-N 2 2 419.932 3.715 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534251934 1006260329 /nfs/dbraw/zinc/26/03/29/1006260329.db2.gz VWJDFNPOIRLOBL-JXFKEZNVSA-N 2 2 419.932 3.715 20 0 HHADLP CN(C(=O)[C@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357532 1006318294 /nfs/dbraw/zinc/31/82/94/1006318294.db2.gz BMTQQBFTEJNRQK-PWRODBHTSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)[C@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357532 1006318307 /nfs/dbraw/zinc/31/83/07/1006318307.db2.gz BMTQQBFTEJNRQK-PWRODBHTSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358472 1006320747 /nfs/dbraw/zinc/32/07/47/1006320747.db2.gz COMVAKBRWJWYCX-CZAYHTPWSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358472 1006320753 /nfs/dbraw/zinc/32/07/53/1006320753.db2.gz COMVAKBRWJWYCX-CZAYHTPWSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360703 1006324580 /nfs/dbraw/zinc/32/45/80/1006324580.db2.gz PMFSREHYBMRPDH-BJKOFHAPSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360703 1006324586 /nfs/dbraw/zinc/32/45/86/1006324586.db2.gz PMFSREHYBMRPDH-BJKOFHAPSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361706 1006327065 /nfs/dbraw/zinc/32/70/65/1006327065.db2.gz RBHFBPZMCSPTBA-DYXWJJEUSA-N 2 2 421.676 3.874 20 0 HHADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361706 1006327075 /nfs/dbraw/zinc/32/70/75/1006327075.db2.gz RBHFBPZMCSPTBA-DYXWJJEUSA-N 2 2 421.676 3.874 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361566 1006327119 /nfs/dbraw/zinc/32/71/19/1006327119.db2.gz YYBDZDNSJVPYLG-RTWAWAEBSA-N 2 2 403.636 3.883 20 0 HHADLP Cc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361566 1006327134 /nfs/dbraw/zinc/32/71/34/1006327134.db2.gz YYBDZDNSJVPYLG-RTWAWAEBSA-N 2 2 403.636 3.883 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534362366 1006328100 /nfs/dbraw/zinc/32/81/00/1006328100.db2.gz DGDQGYRATRINES-ROUUACIJSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534362366 1006328111 /nfs/dbraw/zinc/32/81/11/1006328111.db2.gz DGDQGYRATRINES-ROUUACIJSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376347 1006344204 /nfs/dbraw/zinc/34/42/04/1006344204.db2.gz CNFKSLLSHNZFGT-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376347 1006344213 /nfs/dbraw/zinc/34/42/13/1006344213.db2.gz CNFKSLLSHNZFGT-NHCUHLMSSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383094 1006355747 /nfs/dbraw/zinc/35/57/47/1006355747.db2.gz GAOSHTRTGFFPAI-ZLNRFVROSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383094 1006355755 /nfs/dbraw/zinc/35/57/55/1006355755.db2.gz GAOSHTRTGFFPAI-ZLNRFVROSA-N 2 2 416.585 3.792 20 0 HHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)s2)cc1 ZINC000531715126 1006373780 /nfs/dbraw/zinc/37/37/80/1006373780.db2.gz MXHNCDQYRHCPIN-LPHOPBHVSA-N 2 2 403.592 3.871 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000531719356 1006377836 /nfs/dbraw/zinc/37/78/36/1006377836.db2.gz ZFDJTTADLVFBLY-QGZVFWFLSA-N 2 2 410.002 3.556 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720728 1006378334 /nfs/dbraw/zinc/37/83/34/1006378334.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720728 1006378344 /nfs/dbraw/zinc/37/83/44/1006378344.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720728 1006378350 /nfs/dbraw/zinc/37/83/50/1006378350.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720728 1006378357 /nfs/dbraw/zinc/37/83/57/1006378357.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720728 1006378362 /nfs/dbraw/zinc/37/83/62/1006378362.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720728 1006378371 /nfs/dbraw/zinc/37/83/71/1006378371.db2.gz BMKWXBWBRRDECB-JLZPKONASA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000534528677 1006521999 /nfs/dbraw/zinc/52/19/99/1006521999.db2.gz GGIPZPQHLSPKGJ-DENIHFKCSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000534528677 1006522006 /nfs/dbraw/zinc/52/20/06/1006522006.db2.gz GGIPZPQHLSPKGJ-DENIHFKCSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)CC2)C1 ZINC000531932217 1006529257 /nfs/dbraw/zinc/52/92/57/1006529257.db2.gz LRODDJRQLIJJNG-CEMLEFRQSA-N 3 2 404.668 3.669 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000531963695 1006549817 /nfs/dbraw/zinc/54/98/17/1006549817.db2.gz OLBPWZVJBJGDTD-OAHLLOKOSA-N 2 2 407.345 3.778 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCOCC1)c1ccccc1 ZINC000531976306 1006555765 /nfs/dbraw/zinc/55/57/65/1006555765.db2.gz ZTBKGKBBEBNEBZ-PPDQVPDSSA-N 2 2 400.485 3.712 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348670 1006615782 /nfs/dbraw/zinc/61/57/82/1006615782.db2.gz CZDWYIZQXQOFPU-IBGZPJMESA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348670 1006615788 /nfs/dbraw/zinc/61/57/88/1006615788.db2.gz CZDWYIZQXQOFPU-IBGZPJMESA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348670 1006615795 /nfs/dbraw/zinc/61/57/95/1006615795.db2.gz CZDWYIZQXQOFPU-IBGZPJMESA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348670 1006615800 /nfs/dbraw/zinc/61/58/00/1006615800.db2.gz CZDWYIZQXQOFPU-IBGZPJMESA-N 2 2 411.546 3.548 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352039 1006619071 /nfs/dbraw/zinc/61/90/71/1006619071.db2.gz OREDEORHZWONCB-RTWAWAEBSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352039 1006619078 /nfs/dbraw/zinc/61/90/78/1006619078.db2.gz OREDEORHZWONCB-RTWAWAEBSA-N 2 2 412.582 3.672 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538359346 1006627518 /nfs/dbraw/zinc/62/75/18/1006627518.db2.gz VMVFFYKQVTVTFZ-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538359346 1006627526 /nfs/dbraw/zinc/62/75/26/1006627526.db2.gz VMVFFYKQVTVTFZ-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532105499 1006639035 /nfs/dbraw/zinc/63/90/35/1006639035.db2.gz HVJJKDGNMUWDBM-HXUWFJFHSA-N 2 2 400.567 3.514 20 0 HHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532105499 1006639038 /nfs/dbraw/zinc/63/90/38/1006639038.db2.gz HVJJKDGNMUWDBM-HXUWFJFHSA-N 2 2 400.567 3.514 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534790667 1006792079 /nfs/dbraw/zinc/79/20/79/1006792079.db2.gz LUYKLIZDUGKMLW-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534790667 1006792089 /nfs/dbraw/zinc/79/20/89/1006792089.db2.gz LUYKLIZDUGKMLW-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538556711 1006818107 /nfs/dbraw/zinc/81/81/07/1006818107.db2.gz FKKFFWSMZVTNLE-IIBYNOLFSA-N 2 2 408.550 3.679 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558214 1006820542 /nfs/dbraw/zinc/82/05/42/1006820542.db2.gz SGURNCMMYRVRGK-LAUBAEHRSA-N 2 2 410.566 3.925 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601948 1006872762 /nfs/dbraw/zinc/87/27/62/1006872762.db2.gz FKPVMWDQDFJARR-ZAAXVRCTSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601948 1006872782 /nfs/dbraw/zinc/87/27/82/1006872782.db2.gz FKPVMWDQDFJARR-ZAAXVRCTSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601948 1006872797 /nfs/dbraw/zinc/87/27/97/1006872797.db2.gz FKPVMWDQDFJARR-ZAAXVRCTSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601948 1006872809 /nfs/dbraw/zinc/87/28/09/1006872809.db2.gz FKPVMWDQDFJARR-ZAAXVRCTSA-N 2 2 413.990 3.556 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441983 1006885023 /nfs/dbraw/zinc/88/50/23/1006885023.db2.gz TZQSFJGCHLOCND-PUHATCMVSA-N 3 2 412.647 3.679 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441983 1006885042 /nfs/dbraw/zinc/88/50/42/1006885042.db2.gz TZQSFJGCHLOCND-PUHATCMVSA-N 3 2 412.647 3.679 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Cl ZINC000532497306 1006938907 /nfs/dbraw/zinc/93/89/07/1006938907.db2.gz RUKWJJFCJAPMLD-LAUBAEHRSA-N 2 2 417.981 3.997 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929533 1006965876 /nfs/dbraw/zinc/96/58/76/1006965876.db2.gz CPDNMGAIOFDAKY-FGZHOGPDSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534929533 1006965882 /nfs/dbraw/zinc/96/58/82/1006965882.db2.gz CPDNMGAIOFDAKY-FGZHOGPDSA-N 2 2 402.583 3.634 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534943000 1006984447 /nfs/dbraw/zinc/98/44/47/1006984447.db2.gz DKCLRBFZPKVUJJ-RTBURBONSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534943000 1006984452 /nfs/dbraw/zinc/98/44/52/1006984452.db2.gz DKCLRBFZPKVUJJ-RTBURBONSA-N 2 2 412.500 3.905 20 0 HHADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720250 1006995085 /nfs/dbraw/zinc/99/50/85/1006995085.db2.gz PHQDLFPAQQXDES-DGCLKSJQSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720250 1006995094 /nfs/dbraw/zinc/99/50/94/1006995094.db2.gz PHQDLFPAQQXDES-DGCLKSJQSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720250 1006995101 /nfs/dbraw/zinc/99/51/01/1006995101.db2.gz PHQDLFPAQQXDES-DGCLKSJQSA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720250 1006995114 /nfs/dbraw/zinc/99/51/14/1006995114.db2.gz PHQDLFPAQQXDES-DGCLKSJQSA-N 2 2 407.299 3.974 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093993 1007108984 /nfs/dbraw/zinc/10/89/84/1007108984.db2.gz GTAKPEMYWHDVRG-DNQXCXABSA-N 2 2 414.638 3.942 20 0 HHADLP CCCN(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535093993 1007108988 /nfs/dbraw/zinc/10/89/88/1007108988.db2.gz GTAKPEMYWHDVRG-DNQXCXABSA-N 2 2 414.638 3.942 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095285 1007110901 /nfs/dbraw/zinc/11/09/01/1007110901.db2.gz MFULANNHTUGRLC-DZFGPLHGSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095285 1007110904 /nfs/dbraw/zinc/11/09/04/1007110904.db2.gz MFULANNHTUGRLC-DZFGPLHGSA-N 2 2 422.013 3.903 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095619 1007111365 /nfs/dbraw/zinc/11/13/65/1007111365.db2.gz LTJQOIJDHVQUTO-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095619 1007111372 /nfs/dbraw/zinc/11/13/72/1007111372.db2.gz LTJQOIJDHVQUTO-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096080 1007113437 /nfs/dbraw/zinc/11/34/37/1007113437.db2.gz OKFKIOCAZKOJCK-PRTQVNTJSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096080 1007113443 /nfs/dbraw/zinc/11/34/43/1007113443.db2.gz OKFKIOCAZKOJCK-PRTQVNTJSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097565 1007115812 /nfs/dbraw/zinc/11/58/12/1007115812.db2.gz VLJXJZXUGTWDQW-DHIUTWEWSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnc(-c2ccccc2)nc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097565 1007115818 /nfs/dbraw/zinc/11/58/18/1007115818.db2.gz VLJXJZXUGTWDQW-DHIUTWEWSA-N 2 2 421.589 3.553 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097058 1007115837 /nfs/dbraw/zinc/11/58/37/1007115837.db2.gz XYLIQMFJCXZLFP-VXKWHMMOSA-N 2 2 419.585 3.563 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097058 1007115845 /nfs/dbraw/zinc/11/58/45/1007115845.db2.gz XYLIQMFJCXZLFP-VXKWHMMOSA-N 2 2 419.585 3.563 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100672 1007120495 /nfs/dbraw/zinc/12/04/95/1007120495.db2.gz QEGQHFCYYXXNGL-XQUALCHDSA-N 2 2 413.606 3.594 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100672 1007120498 /nfs/dbraw/zinc/12/04/98/1007120498.db2.gz QEGQHFCYYXXNGL-XQUALCHDSA-N 2 2 413.606 3.594 20 0 HHADLP CC[N@H+](Cc1nc(CC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734527 1007144655 /nfs/dbraw/zinc/14/46/55/1007144655.db2.gz KSFBCGMQHNIERH-UHFFFAOYSA-N 2 2 400.571 3.981 20 0 HHADLP CC[N@@H+](Cc1nc(CC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734527 1007144661 /nfs/dbraw/zinc/14/46/61/1007144661.db2.gz KSFBCGMQHNIERH-UHFFFAOYSA-N 2 2 400.571 3.981 20 0 HHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000532950456 1007319414 /nfs/dbraw/zinc/31/94/14/1007319414.db2.gz KYFCTCFFZNKLOW-UHFFFAOYSA-N 2 2 407.558 3.908 20 0 HHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000532950456 1007319423 /nfs/dbraw/zinc/31/94/23/1007319423.db2.gz KYFCTCFFZNKLOW-UHFFFAOYSA-N 2 2 407.558 3.908 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898179 1007338493 /nfs/dbraw/zinc/33/84/93/1007338493.db2.gz OMDURNVUBIHRAT-DQLDELGASA-N 2 2 418.944 3.887 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000516898179 1007338507 /nfs/dbraw/zinc/33/85/07/1007338507.db2.gz OMDURNVUBIHRAT-DQLDELGASA-N 2 2 418.944 3.887 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000517130046 1007443495 /nfs/dbraw/zinc/44/34/95/1007443495.db2.gz PBCQLVKPVHWSLM-APWZRJJASA-N 2 2 402.564 3.566 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000535394761 1007461165 /nfs/dbraw/zinc/46/11/65/1007461165.db2.gz PMGOWOCHRHKFBX-KMDXXIMOSA-N 2 2 417.557 3.986 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000535394761 1007461170 /nfs/dbraw/zinc/46/11/70/1007461170.db2.gz PMGOWOCHRHKFBX-KMDXXIMOSA-N 2 2 417.557 3.986 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502970 1007559189 /nfs/dbraw/zinc/55/91/89/1007559189.db2.gz AXQIQJRESZYWIC-QUCCMNQESA-N 2 2 418.994 3.504 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502970 1007559199 /nfs/dbraw/zinc/55/91/99/1007559199.db2.gz AXQIQJRESZYWIC-QUCCMNQESA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502970 1007559205 /nfs/dbraw/zinc/55/92/05/1007559205.db2.gz AXQIQJRESZYWIC-QUCCMNQESA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535502970 1007559217 /nfs/dbraw/zinc/55/92/17/1007559217.db2.gz AXQIQJRESZYWIC-QUCCMNQESA-N 2 2 418.994 3.504 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000533265344 1007581920 /nfs/dbraw/zinc/58/19/20/1007581920.db2.gz WLNHVSDILUYLQS-VXKWHMMOSA-N 2 2 420.601 3.929 20 0 HHADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000539327203 1007626947 /nfs/dbraw/zinc/62/69/47/1007626947.db2.gz WGMYPVPCQTUMRY-HSZRJFAPSA-N 2 2 417.500 3.722 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647007 1007654438 /nfs/dbraw/zinc/65/44/38/1007654438.db2.gz NXBORWWBZZZCAY-NHCUHLMSSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647007 1007654446 /nfs/dbraw/zinc/65/44/46/1007654446.db2.gz NXBORWWBZZZCAY-NHCUHLMSSA-N 2 2 418.582 3.505 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)CC2)s1 ZINC000535685494 1007717601 /nfs/dbraw/zinc/71/76/01/1007717601.db2.gz HYRBNTBTDVOUBI-UHFFFAOYSA-N 2 2 418.582 3.539 20 0 HHADLP Fc1ccccc1-c1ccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000539462000 1007773650 /nfs/dbraw/zinc/77/36/50/1007773650.db2.gz WFRTYUJAOFWCGG-KDURUIRLSA-N 2 2 415.578 3.535 20 0 HHADLP Fc1ccccc1-c1ccc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000539462000 1007773668 /nfs/dbraw/zinc/77/36/68/1007773668.db2.gz WFRTYUJAOFWCGG-KDURUIRLSA-N 2 2 415.578 3.535 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000539489719 1007801200 /nfs/dbraw/zinc/80/12/00/1007801200.db2.gz XNPCJBNDULUTFG-GZOXUSKESA-N 2 2 402.542 3.818 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000539489719 1007801207 /nfs/dbraw/zinc/80/12/07/1007801207.db2.gz XNPCJBNDULUTFG-GZOXUSKESA-N 2 2 402.542 3.818 20 0 HHADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807820 1007817932 /nfs/dbraw/zinc/81/79/32/1007817932.db2.gz DMIKPIBSFSZACB-GGAORHGYSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807820 1007817943 /nfs/dbraw/zinc/81/79/43/1007817943.db2.gz DMIKPIBSFSZACB-GGAORHGYSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807820 1007817955 /nfs/dbraw/zinc/81/79/55/1007817955.db2.gz DMIKPIBSFSZACB-GGAORHGYSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807820 1007817963 /nfs/dbraw/zinc/81/79/63/1007817963.db2.gz DMIKPIBSFSZACB-GGAORHGYSA-N 2 2 405.521 3.893 20 0 HHADLP CC[N@H+](CC(=O)NC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531732 1007853124 /nfs/dbraw/zinc/85/31/24/1007853124.db2.gz LBEHCWAJPRQGRY-UHFFFAOYSA-N 2 2 401.599 3.648 20 0 HHADLP CC[N@@H+](CC(=O)NC1CCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531732 1007853138 /nfs/dbraw/zinc/85/31/38/1007853138.db2.gz LBEHCWAJPRQGRY-UHFFFAOYSA-N 2 2 401.599 3.648 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c(C)c1 ZINC000533536561 1007858998 /nfs/dbraw/zinc/85/89/98/1007858998.db2.gz VEMSNZCTBLNDEK-HSZRJFAPSA-N 2 2 417.557 3.977 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849287 1007862517 /nfs/dbraw/zinc/86/25/17/1007862517.db2.gz WSMITRFYTRWMFB-PKTZIBPZSA-N 2 2 414.569 3.645 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849287 1007862525 /nfs/dbraw/zinc/86/25/25/1007862525.db2.gz WSMITRFYTRWMFB-PKTZIBPZSA-N 2 2 414.569 3.645 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850576 1007864534 /nfs/dbraw/zinc/86/45/34/1007864534.db2.gz GLLOBXQXIFERFJ-DNQXCXABSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850576 1007864545 /nfs/dbraw/zinc/86/45/45/1007864545.db2.gz GLLOBXQXIFERFJ-DNQXCXABSA-N 2 2 423.605 3.656 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850931 1007864928 /nfs/dbraw/zinc/86/49/28/1007864928.db2.gz WSTBBAGRRGGWBG-MOPGFXCFSA-N 2 2 422.017 3.663 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850931 1007864937 /nfs/dbraw/zinc/86/49/37/1007864937.db2.gz WSTBBAGRRGGWBG-MOPGFXCFSA-N 2 2 422.017 3.663 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850895 1007865173 /nfs/dbraw/zinc/86/51/73/1007865173.db2.gz VCDKLOMQCXENNZ-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850895 1007865181 /nfs/dbraw/zinc/86/51/81/1007865181.db2.gz VCDKLOMQCXENNZ-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851458 1007865441 /nfs/dbraw/zinc/86/54/41/1007865441.db2.gz ARTYZQIXWVVPCJ-ROUUACIJSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851458 1007865451 /nfs/dbraw/zinc/86/54/51/1007865451.db2.gz ARTYZQIXWVVPCJ-ROUUACIJSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851502 1007865871 /nfs/dbraw/zinc/86/58/71/1007865871.db2.gz CRCSQOHUIIWVDQ-RBUKOAKNSA-N 2 2 405.608 3.507 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851502 1007865882 /nfs/dbraw/zinc/86/58/82/1007865882.db2.gz CRCSQOHUIIWVDQ-RBUKOAKNSA-N 2 2 405.608 3.507 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535854216 1007868017 /nfs/dbraw/zinc/86/80/17/1007868017.db2.gz FOSABIKICLFXET-RTWAWAEBSA-N 2 2 422.013 3.687 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535854216 1007868022 /nfs/dbraw/zinc/86/80/22/1007868022.db2.gz FOSABIKICLFXET-RTWAWAEBSA-N 2 2 422.013 3.687 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856641 1007871183 /nfs/dbraw/zinc/87/11/83/1007871183.db2.gz QTZRLGYBOWCXEA-BJKOFHAPSA-N 2 2 423.605 3.794 20 0 HHADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]n2)cc1 ZINC000535856641 1007871190 /nfs/dbraw/zinc/87/11/90/1007871190.db2.gz QTZRLGYBOWCXEA-BJKOFHAPSA-N 2 2 423.605 3.794 20 0 HHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535867897 1007884757 /nfs/dbraw/zinc/88/47/57/1007884757.db2.gz RZKZAOPNGFPVDF-FCHUYYIVSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535867897 1007884771 /nfs/dbraw/zinc/88/47/71/1007884771.db2.gz RZKZAOPNGFPVDF-FCHUYYIVSA-N 2 2 404.574 3.613 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535876667 1007895065 /nfs/dbraw/zinc/89/50/65/1007895065.db2.gz OJCLSOGSGRACDF-FCHUYYIVSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535876667 1007895072 /nfs/dbraw/zinc/89/50/72/1007895072.db2.gz OJCLSOGSGRACDF-FCHUYYIVSA-N 2 2 416.610 3.564 20 0 HHADLP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000533639422 1007947243 /nfs/dbraw/zinc/94/72/43/1007947243.db2.gz DEFILPHURICNIU-RCZVLFRGSA-N 2 2 410.558 3.655 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647293 1007956083 /nfs/dbraw/zinc/95/60/83/1007956083.db2.gz FFNCUDOPTPDHTD-FGCOXFRFSA-N 2 2 415.622 3.887 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647293 1007956093 /nfs/dbraw/zinc/95/60/93/1007956093.db2.gz FFNCUDOPTPDHTD-FGCOXFRFSA-N 2 2 415.622 3.887 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650636 1007962333 /nfs/dbraw/zinc/96/23/33/1007962333.db2.gz DAFYLOZSQGSKFM-LEWJYISDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650636 1007962342 /nfs/dbraw/zinc/96/23/42/1007962342.db2.gz DAFYLOZSQGSKFM-LEWJYISDSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650833 1007963627 /nfs/dbraw/zinc/96/36/27/1007963627.db2.gz IDGJMGQXLMLRTI-VXKWHMMOSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650833 1007963646 /nfs/dbraw/zinc/96/36/46/1007963646.db2.gz IDGJMGQXLMLRTI-VXKWHMMOSA-N 2 2 410.562 3.751 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651095 1007963861 /nfs/dbraw/zinc/96/38/61/1007963861.db2.gz NAKYGLPAMCYISE-UXHICEINSA-N 2 2 419.635 3.815 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651095 1007963870 /nfs/dbraw/zinc/96/38/70/1007963870.db2.gz NAKYGLPAMCYISE-UXHICEINSA-N 2 2 419.635 3.815 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665110 1007980421 /nfs/dbraw/zinc/98/04/21/1007980421.db2.gz OKZXOQIZKHJJTP-VLCRHTCISA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665110 1007980428 /nfs/dbraw/zinc/98/04/28/1007980428.db2.gz OKZXOQIZKHJJTP-VLCRHTCISA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665103 1007980523 /nfs/dbraw/zinc/98/05/23/1007980523.db2.gz OKZXOQIZKHJJTP-BWAGFHJFSA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665103 1007980529 /nfs/dbraw/zinc/98/05/29/1007980529.db2.gz OKZXOQIZKHJJTP-BWAGFHJFSA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665316 1007980672 /nfs/dbraw/zinc/98/06/72/1007980672.db2.gz WVJJNUSNTCUQQQ-QIJUGHKUSA-N 2 2 404.599 3.579 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665316 1007980677 /nfs/dbraw/zinc/98/06/77/1007980677.db2.gz WVJJNUSNTCUQQQ-QIJUGHKUSA-N 2 2 404.599 3.579 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683810 1008007859 /nfs/dbraw/zinc/00/78/59/1008007859.db2.gz VMPBCWYENHJGDY-PZJWPPBQSA-N 2 2 419.928 3.595 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683810 1008007865 /nfs/dbraw/zinc/00/78/65/1008007865.db2.gz VMPBCWYENHJGDY-PZJWPPBQSA-N 2 2 419.928 3.595 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000517886385 1008030073 /nfs/dbraw/zinc/03/00/73/1008030073.db2.gz HHIDTPOWMNAUDZ-QHCPKHFHSA-N 2 2 409.599 3.557 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517904648 1008048925 /nfs/dbraw/zinc/04/89/25/1008048925.db2.gz SJQNPBRAFOEFCR-FQEVSTJZSA-N 2 2 422.573 3.997 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009315 1008051383 /nfs/dbraw/zinc/05/13/83/1008051383.db2.gz LMSUFARNHXLXKS-PKTZIBPZSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009315 1008051390 /nfs/dbraw/zinc/05/13/90/1008051390.db2.gz LMSUFARNHXLXKS-PKTZIBPZSA-N 2 2 417.642 3.962 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000533813748 1008129944 /nfs/dbraw/zinc/12/99/44/1008129944.db2.gz ABOHIJIUEAXSCL-UHFFFAOYSA-N 2 2 416.591 3.818 20 0 HHADLP C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000533861211 1008163953 /nfs/dbraw/zinc/16/39/53/1008163953.db2.gz OINYQUZGBGTRMA-HRBLRVMOSA-N 2 2 403.521 3.735 20 0 HHADLP C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000533861211 1008163959 /nfs/dbraw/zinc/16/39/59/1008163959.db2.gz OINYQUZGBGTRMA-HRBLRVMOSA-N 2 2 403.521 3.735 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533879222 1008177028 /nfs/dbraw/zinc/17/70/28/1008177028.db2.gz JGTGHVBGMSXXAO-NRFANRHFSA-N 2 2 415.541 3.896 20 0 HHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000539952989 1008203245 /nfs/dbraw/zinc/20/32/45/1008203245.db2.gz HHYOBDPOQHFJFK-UHFFFAOYSA-N 2 2 422.577 3.525 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)([NH+]2CCCCC2)CC1 ZINC000539958465 1008205796 /nfs/dbraw/zinc/20/57/96/1008205796.db2.gz DMOREQDARSOHNA-UHFFFAOYSA-N 2 2 403.998 3.729 20 0 HHADLP CN(C(=O)N[C@H](c1cccnc1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533964732 1008237575 /nfs/dbraw/zinc/23/75/75/1008237575.db2.gz BCPSVALPOQIHDN-ZLNRFVROSA-N 2 2 413.610 3.511 20 0 HHADLP CN(C(=O)N[C@H](c1cccnc1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533964732 1008237580 /nfs/dbraw/zinc/23/75/80/1008237580.db2.gz BCPSVALPOQIHDN-ZLNRFVROSA-N 2 2 413.610 3.511 20 0 HHADLP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC ZINC000540151702 1008313241 /nfs/dbraw/zinc/31/32/41/1008313241.db2.gz PAHQDNPGNGBCMQ-RBUKOAKNSA-N 2 2 413.562 3.992 20 0 HHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540177256 1008324038 /nfs/dbraw/zinc/32/40/38/1008324038.db2.gz AKOMDZGUTMESOW-MOPGFXCFSA-N 2 2 421.545 3.687 20 0 HHADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000540176986 1008324171 /nfs/dbraw/zinc/32/41/71/1008324171.db2.gz WTFOTRUOOVZBTM-WOIUINJBSA-N 2 2 407.562 3.510 20 0 HHADLP CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000540300267 1008372296 /nfs/dbraw/zinc/37/22/96/1008372296.db2.gz AUIYDCOIYJYTSP-JOCHJYFZSA-N 2 2 400.954 3.761 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540308376 1008374863 /nfs/dbraw/zinc/37/48/63/1008374863.db2.gz MUMYVHIMTVHPSK-CDNPAEQRSA-N 2 2 415.626 3.684 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540308376 1008374867 /nfs/dbraw/zinc/37/48/67/1008374867.db2.gz MUMYVHIMTVHPSK-CDNPAEQRSA-N 2 2 415.626 3.684 20 0 HHADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321552 1008378840 /nfs/dbraw/zinc/37/88/40/1008378840.db2.gz UVFPQQZPUNOJJY-QZTJIDSGSA-N 2 2 401.576 3.648 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000540433621 1008431718 /nfs/dbraw/zinc/43/17/18/1008431718.db2.gz IAQJEUKESSEDQU-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000540433621 1008431723 /nfs/dbraw/zinc/43/17/23/1008431723.db2.gz IAQJEUKESSEDQU-GOSISDBHSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1cccc([C@H]([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC000540435879 1008433109 /nfs/dbraw/zinc/43/31/09/1008433109.db2.gz ZMNQNCKQZDOCRS-VWLOTQADSA-N 2 2 423.601 3.820 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000518892298 1008461593 /nfs/dbraw/zinc/46/15/93/1008461593.db2.gz ASOOXUNLJLDZAC-FQEVSTJZSA-N 2 2 411.481 3.526 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540527617 1008468567 /nfs/dbraw/zinc/46/85/67/1008468567.db2.gz SOIIPFLMQISIHI-YADHBBJMSA-N 2 2 400.567 3.518 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540527617 1008468570 /nfs/dbraw/zinc/46/85/70/1008468570.db2.gz SOIIPFLMQISIHI-YADHBBJMSA-N 2 2 400.567 3.518 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548185 1008476567 /nfs/dbraw/zinc/47/65/67/1008476567.db2.gz DAWOFIHYOFKVRI-NHCUHLMSSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2cc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2o1 ZINC000540548185 1008476569 /nfs/dbraw/zinc/47/65/69/1008476569.db2.gz DAWOFIHYOFKVRI-NHCUHLMSSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552307 1008477986 /nfs/dbraw/zinc/47/79/86/1008477986.db2.gz KDNQKWOAYZTWEH-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552307 1008477987 /nfs/dbraw/zinc/47/79/87/1008477987.db2.gz KDNQKWOAYZTWEH-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552307 1008477988 /nfs/dbraw/zinc/47/79/88/1008477988.db2.gz KDNQKWOAYZTWEH-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552307 1008477989 /nfs/dbraw/zinc/47/79/89/1008477989.db2.gz KDNQKWOAYZTWEH-LJQANCHMSA-N 2 2 414.619 3.796 20 0 HHADLP CCOc1cccc2cc([C@H](C)NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000519172663 1008577169 /nfs/dbraw/zinc/57/71/69/1008577169.db2.gz KBMRGHYJXVTIOW-KRWDZBQOSA-N 2 2 416.566 3.560 20 0 HHADLP CCOc1cccc2cc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)oc21 ZINC000519172663 1008577179 /nfs/dbraw/zinc/57/71/79/1008577179.db2.gz KBMRGHYJXVTIOW-KRWDZBQOSA-N 2 2 416.566 3.560 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000543043302 1008625182 /nfs/dbraw/zinc/62/51/82/1008625182.db2.gz QSQKBQPPMHIQHI-NFBKMPQASA-N 2 2 409.578 3.748 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000543043302 1008625193 /nfs/dbraw/zinc/62/51/93/1008625193.db2.gz QSQKBQPPMHIQHI-NFBKMPQASA-N 2 2 409.578 3.748 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543043919 1008626263 /nfs/dbraw/zinc/62/62/63/1008626263.db2.gz AKLRQYVSVPMKCC-PMACEKPBSA-N 2 2 403.615 3.841 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543164243 1008739143 /nfs/dbraw/zinc/73/91/43/1008739143.db2.gz XBQIYQPNTVGCBH-KKSFZXQISA-N 2 2 419.491 3.917 20 0 HHADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362938 1008761631 /nfs/dbraw/zinc/76/16/31/1008761631.db2.gz SREBVECEJZWQPV-INIZCTEOSA-N 2 2 402.539 3.511 20 0 HHADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362938 1008761644 /nfs/dbraw/zinc/76/16/44/1008761644.db2.gz SREBVECEJZWQPV-INIZCTEOSA-N 2 2 402.539 3.511 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362938 1008761648 /nfs/dbraw/zinc/76/16/48/1008761648.db2.gz SREBVECEJZWQPV-INIZCTEOSA-N 2 2 402.539 3.511 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)sc2C1 ZINC000519362938 1008761663 /nfs/dbraw/zinc/76/16/63/1008761663.db2.gz SREBVECEJZWQPV-INIZCTEOSA-N 2 2 402.539 3.511 20 0 HHADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000543246327 1008815084 /nfs/dbraw/zinc/81/50/84/1008815084.db2.gz QPNMSQWXUJZESH-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000543263198 1008835407 /nfs/dbraw/zinc/83/54/07/1008835407.db2.gz XMICLYLREKCPQA-VXKWHMMOSA-N 2 2 408.590 3.782 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1F ZINC000519675650 1008959419 /nfs/dbraw/zinc/95/94/19/1008959419.db2.gz FEVIBPAJPMCQRO-UHFFFAOYSA-N 2 2 422.508 3.623 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000543394564 1008984976 /nfs/dbraw/zinc/98/49/76/1008984976.db2.gz RDKYARZLCBOGCG-FQEVSTJZSA-N 2 2 400.429 3.751 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000543394564 1008984977 /nfs/dbraw/zinc/98/49/77/1008984977.db2.gz RDKYARZLCBOGCG-FQEVSTJZSA-N 2 2 400.429 3.751 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545982052 1009032724 /nfs/dbraw/zinc/03/27/24/1009032724.db2.gz GTWZOCPJBNSVCK-WBADGQHESA-N 2 2 401.570 3.725 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545982052 1009032738 /nfs/dbraw/zinc/03/27/38/1009032738.db2.gz GTWZOCPJBNSVCK-WBADGQHESA-N 2 2 401.570 3.725 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000543485015 1009072459 /nfs/dbraw/zinc/07/24/59/1009072459.db2.gz GQKZKUVJDQNBGF-FQEVSTJZSA-N 2 2 400.592 3.535 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1nc(C)cs1 ZINC000543485015 1009072464 /nfs/dbraw/zinc/07/24/64/1009072464.db2.gz GQKZKUVJDQNBGF-FQEVSTJZSA-N 2 2 400.592 3.535 20 0 HHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000549908129 1009527160 /nfs/dbraw/zinc/52/71/60/1009527160.db2.gz FVIYDVRVORQCEC-MGPUTAFESA-N 2 2 421.354 3.528 20 0 HHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000549908129 1009527168 /nfs/dbraw/zinc/52/71/68/1009527168.db2.gz FVIYDVRVORQCEC-MGPUTAFESA-N 2 2 421.354 3.528 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941305 1009534408 /nfs/dbraw/zinc/53/44/08/1009534408.db2.gz ZLFNZVKWKLEBAV-LKUPVBHCSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941305 1009534419 /nfs/dbraw/zinc/53/44/19/1009534419.db2.gz ZLFNZVKWKLEBAV-LKUPVBHCSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941274 1009534964 /nfs/dbraw/zinc/53/49/64/1009534964.db2.gz XVVVVARYGCWOSI-AZUAARDMSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941274 1009534967 /nfs/dbraw/zinc/53/49/67/1009534967.db2.gz XVVVVARYGCWOSI-AZUAARDMSA-N 2 2 424.511 3.509 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543968933 1009572223 /nfs/dbraw/zinc/57/22/23/1009572223.db2.gz IZVCUZCCZULDKX-UHFFFAOYSA-N 2 2 403.615 3.843 20 0 HHADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000543994636 1009594625 /nfs/dbraw/zinc/59/46/25/1009594625.db2.gz AMNUHUHCBXIMMO-XMSQKQJNSA-N 2 2 409.530 3.617 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC000544021589 1009621893 /nfs/dbraw/zinc/62/18/93/1009621893.db2.gz AMPOXENTOMYZJX-UHFFFAOYSA-N 3 2 406.014 3.903 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC000544021589 1009621902 /nfs/dbraw/zinc/62/19/02/1009621902.db2.gz AMPOXENTOMYZJX-UHFFFAOYSA-N 3 2 406.014 3.903 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000546619133 1009632718 /nfs/dbraw/zinc/63/27/18/1009632718.db2.gz IJLMDCGNTIESMK-SFTDATJTSA-N 3 2 415.622 3.672 20 0 HHADLP CC(C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000520644343 1009719371 /nfs/dbraw/zinc/71/93/71/1009719371.db2.gz XMANALDNRSXSAZ-UHFFFAOYSA-N 2 2 420.479 3.664 20 0 HHADLP C[C@H](C[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174601 1009778355 /nfs/dbraw/zinc/77/83/55/1009778355.db2.gz APHXXTLHRKVVIV-VQIMIIECSA-N 2 2 421.010 3.785 20 0 HHADLP C[C@H](C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174601 1009778367 /nfs/dbraw/zinc/77/83/67/1009778367.db2.gz APHXXTLHRKVVIV-VQIMIIECSA-N 2 2 421.010 3.785 20 0 HHADLP C[C@@H](C[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174600 1009778799 /nfs/dbraw/zinc/77/87/99/1009778799.db2.gz APHXXTLHRKVVIV-QFBILLFUSA-N 2 2 421.010 3.785 20 0 HHADLP C[C@@H](C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174600 1009778813 /nfs/dbraw/zinc/77/88/13/1009778813.db2.gz APHXXTLHRKVVIV-QFBILLFUSA-N 2 2 421.010 3.785 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546907376 1009865373 /nfs/dbraw/zinc/86/53/73/1009865373.db2.gz NFYQYGZCHXEXDT-BPQIPLTHSA-N 2 2 406.537 3.696 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546907376 1009865394 /nfs/dbraw/zinc/86/53/94/1009865394.db2.gz NFYQYGZCHXEXDT-BPQIPLTHSA-N 2 2 406.537 3.696 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544351830 1009977766 /nfs/dbraw/zinc/97/77/66/1009977766.db2.gz XWLFQNDHKRZQEM-HXUWFJFHSA-N 2 2 408.527 3.862 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544351830 1009977773 /nfs/dbraw/zinc/97/77/73/1009977773.db2.gz XWLFQNDHKRZQEM-HXUWFJFHSA-N 2 2 408.527 3.862 20 0 HHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000544405713 1010025617 /nfs/dbraw/zinc/02/56/17/1010025617.db2.gz DBEASHARDYZOLT-UHFFFAOYSA-N 2 2 413.157 3.958 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)c(C)c1 ZINC000550698968 1010108991 /nfs/dbraw/zinc/10/89/91/1010108991.db2.gz CIRQJWOTLXJHGC-DHIUTWEWSA-N 2 2 424.570 3.556 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000547326506 1010253926 /nfs/dbraw/zinc/25/39/26/1010253926.db2.gz IYROQAAYQKJKAM-CQSZACIVSA-N 2 2 413.356 3.526 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000547325952 1010254113 /nfs/dbraw/zinc/25/41/13/1010254113.db2.gz KHOKHACHCNVAQN-HXUWFJFHSA-N 3 2 401.595 3.568 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000547325952 1010254118 /nfs/dbraw/zinc/25/41/18/1010254118.db2.gz KHOKHACHCNVAQN-HXUWFJFHSA-N 3 2 401.595 3.568 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000547421136 1010296942 /nfs/dbraw/zinc/29/69/42/1010296942.db2.gz DBECGNWMZPBPBZ-UHFFFAOYSA-N 2 2 402.134 3.560 20 0 HHADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544756115 1010355998 /nfs/dbraw/zinc/35/59/98/1010355998.db2.gz CVOPJEFQFGEEKA-KBPBESRZSA-N 2 2 421.529 3.561 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)C2)cc1 ZINC000544994164 1010541612 /nfs/dbraw/zinc/54/16/12/1010541612.db2.gz HLZQNTRVJKPFDW-QFIPXVFZSA-N 2 2 418.541 3.948 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)C2)cc1 ZINC000544994164 1010541623 /nfs/dbraw/zinc/54/16/23/1010541623.db2.gz HLZQNTRVJKPFDW-QFIPXVFZSA-N 2 2 418.541 3.948 20 0 HHADLP COc1c(Br)cccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548477843 1010639439 /nfs/dbraw/zinc/63/94/39/1010639439.db2.gz GJDNYKZKHXYPLL-HXUWFJFHSA-N 2 2 418.379 3.536 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000521831472 1010644736 /nfs/dbraw/zinc/64/47/36/1010644736.db2.gz VXDJEQVUTZKTCB-UHFFFAOYSA-N 2 2 419.554 3.993 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000521841469 1010652966 /nfs/dbraw/zinc/65/29/66/1010652966.db2.gz KWZNTLMNCDVVDB-VWLOTQADSA-N 2 2 418.585 3.781 20 0 HHADLP CN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548513217 1010653791 /nfs/dbraw/zinc/65/37/91/1010653791.db2.gz KDUZNBHHWICUFD-FGTMMUONSA-N 2 2 420.564 3.942 20 0 HHADLP CN(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548513217 1010653794 /nfs/dbraw/zinc/65/37/94/1010653794.db2.gz KDUZNBHHWICUFD-FGTMMUONSA-N 2 2 420.564 3.942 20 0 HHADLP Ic1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000551549558 1010654846 /nfs/dbraw/zinc/65/48/46/1010654846.db2.gz KXWJUGZWOBNOEO-UHFFFAOYSA-N 2 2 403.267 3.826 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)c2cccs2)CC1 ZINC000551570041 1010667949 /nfs/dbraw/zinc/66/79/49/1010667949.db2.gz PPKLATRWOIUJDU-GOSISDBHSA-N 2 2 401.580 3.553 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336494 1010734559 /nfs/dbraw/zinc/73/45/59/1010734559.db2.gz RWGIRTRJOJFHTF-LSTHTHJFSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1cnc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000545336494 1010734565 /nfs/dbraw/zinc/73/45/65/1010734565.db2.gz RWGIRTRJOJFHTF-LSTHTHJFSA-N 2 2 421.655 3.534 20 0 HHADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCc3ccc(OCC[NH+]4CCCC4)cc3)c12 ZINC000521971833 1010744381 /nfs/dbraw/zinc/74/43/81/1010744381.db2.gz LIWOUNLZQZNSDM-UHFFFAOYSA-N 2 2 414.513 3.902 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000545374170 1010759799 /nfs/dbraw/zinc/75/97/99/1010759799.db2.gz UKGHVUSXTLOEOP-UHFFFAOYSA-N 2 2 400.526 3.695 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000522626723 1011122034 /nfs/dbraw/zinc/12/20/34/1011122034.db2.gz SGRHGBMRZNYYFJ-LVCYWYKZSA-N 2 2 404.599 3.784 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000522626723 1011122040 /nfs/dbraw/zinc/12/20/40/1011122040.db2.gz SGRHGBMRZNYYFJ-LVCYWYKZSA-N 2 2 404.599 3.784 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540789094 1011449771 /nfs/dbraw/zinc/44/97/71/1011449771.db2.gz QTRPOUUINIIDMX-IBGZPJMESA-N 3 2 411.594 3.726 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000540983886 1011618018 /nfs/dbraw/zinc/61/80/18/1011618018.db2.gz MINSOIIZIJVGSO-UHFFFAOYSA-N 2 2 413.653 3.665 20 0 HHADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000536653472 1011802605 /nfs/dbraw/zinc/80/26/05/1011802605.db2.gz JQCYFFPJOCUQMT-QHCPKHFHSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000536653472 1011802618 /nfs/dbraw/zinc/80/26/18/1011802618.db2.gz JQCYFFPJOCUQMT-QHCPKHFHSA-N 2 2 408.590 3.903 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251866 1011932988 /nfs/dbraw/zinc/93/29/88/1011932988.db2.gz NDKYHDKAJVHZOQ-PMACEKPBSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251866 1011932997 /nfs/dbraw/zinc/93/29/97/1011932997.db2.gz NDKYHDKAJVHZOQ-PMACEKPBSA-N 2 2 409.521 3.697 20 0 HHADLP COC(=O)c1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(Br)c1 ZINC000551787128 1011947889 /nfs/dbraw/zinc/94/78/89/1011947889.db2.gz JXJMCINNAGRHBB-UHFFFAOYSA-N 2 2 414.303 3.770 20 0 HHADLP O[C@@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541326014 1012036470 /nfs/dbraw/zinc/03/64/70/1012036470.db2.gz KBHJYSOZUWLQTE-GOSISDBHSA-N 2 2 411.468 3.834 20 0 HHADLP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000552043750 1012062472 /nfs/dbraw/zinc/06/24/72/1012062472.db2.gz ARMZDZWUMCVSMB-UHFFFAOYSA-N 2 2 407.299 3.593 20 0 HHADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000536861351 1012095496 /nfs/dbraw/zinc/09/54/96/1012095496.db2.gz CRZLZKZQNZIQKK-PKTZIBPZSA-N 2 2 423.605 3.673 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867436 1012105422 /nfs/dbraw/zinc/10/54/22/1012105422.db2.gz BWSNNNDEBTUCLT-JXFKEZNVSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867436 1012105462 /nfs/dbraw/zinc/10/54/62/1012105462.db2.gz BWSNNNDEBTUCLT-JXFKEZNVSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880440 1012126905 /nfs/dbraw/zinc/12/69/05/1012126905.db2.gz CANJXRIGISOVLV-DYESRHJHSA-N 2 2 400.954 3.954 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880440 1012126913 /nfs/dbraw/zinc/12/69/13/1012126913.db2.gz CANJXRIGISOVLV-DYESRHJHSA-N 2 2 400.954 3.954 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409178 1012147865 /nfs/dbraw/zinc/14/78/65/1012147865.db2.gz YCRGTPADFQANLJ-FGZHOGPDSA-N 2 2 406.574 3.884 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409178 1012147895 /nfs/dbraw/zinc/14/78/95/1012147895.db2.gz YCRGTPADFQANLJ-FGZHOGPDSA-N 2 2 406.574 3.884 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944151 1012243988 /nfs/dbraw/zinc/24/39/88/1012243988.db2.gz KWWIICFQSZCHPA-ORYQWCPZSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944151 1012244000 /nfs/dbraw/zinc/24/40/00/1012244000.db2.gz KWWIICFQSZCHPA-ORYQWCPZSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944151 1012244011 /nfs/dbraw/zinc/24/40/11/1012244011.db2.gz KWWIICFQSZCHPA-ORYQWCPZSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944151 1012244021 /nfs/dbraw/zinc/24/40/21/1012244021.db2.gz KWWIICFQSZCHPA-ORYQWCPZSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962884 1012256187 /nfs/dbraw/zinc/25/61/87/1012256187.db2.gz HYQSANJVIRZKPD-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962884 1012256201 /nfs/dbraw/zinc/25/62/01/1012256201.db2.gz HYQSANJVIRZKPD-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962884 1012256212 /nfs/dbraw/zinc/25/62/12/1012256212.db2.gz HYQSANJVIRZKPD-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536962884 1012256221 /nfs/dbraw/zinc/25/62/21/1012256221.db2.gz HYQSANJVIRZKPD-CDHQVMDDSA-N 2 2 410.965 3.646 20 0 HHADLP Cc1ccccc1COc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000523663592 1012257658 /nfs/dbraw/zinc/25/76/58/1012257658.db2.gz OLLCUJVKDWFBEL-UHFFFAOYSA-N 2 2 423.601 3.601 20 0 HHADLP Cc1ccccc1COc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000523663592 1012257672 /nfs/dbraw/zinc/25/76/72/1012257672.db2.gz OLLCUJVKDWFBEL-UHFFFAOYSA-N 2 2 423.601 3.601 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000523707375 1012313526 /nfs/dbraw/zinc/31/35/26/1012313526.db2.gz BAQQJSHBAYAUFI-OAQYLSRUSA-N 2 2 421.589 3.656 20 0 HHADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000541564176 1012352449 /nfs/dbraw/zinc/35/24/49/1012352449.db2.gz XSGNRSOFCSOWRX-LVXARBLLSA-N 2 2 422.617 3.833 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599882 1012393557 /nfs/dbraw/zinc/39/35/57/1012393557.db2.gz OPLUWJOAKZCUTR-HZPDHXFCSA-N 2 2 421.607 3.668 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599882 1012393570 /nfs/dbraw/zinc/39/35/70/1012393570.db2.gz OPLUWJOAKZCUTR-HZPDHXFCSA-N 2 2 421.607 3.668 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1)C[C@@H]1CCCCO1 ZINC000537118736 1012497408 /nfs/dbraw/zinc/49/74/08/1012497408.db2.gz AHYUCPYBHMZPMK-REWPJTCUSA-N 2 2 410.562 3.864 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1)C[C@@H]1CCCCO1 ZINC000537118736 1012497420 /nfs/dbraw/zinc/49/74/20/1012497420.db2.gz AHYUCPYBHMZPMK-REWPJTCUSA-N 2 2 410.562 3.864 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537235640 1012672414 /nfs/dbraw/zinc/67/24/14/1012672414.db2.gz IMXFUFNKOPJLBM-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cccc(-n2cccn2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537235640 1012672426 /nfs/dbraw/zinc/67/24/26/1012672426.db2.gz IMXFUFNKOPJLBM-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235718 1012672805 /nfs/dbraw/zinc/67/28/05/1012672805.db2.gz AQWVMFTXMFTKOQ-QZTJIDSGSA-N 2 2 422.643 3.682 20 0 HHADLP CCCCc1nnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000537235718 1012672822 /nfs/dbraw/zinc/67/28/22/1012672822.db2.gz AQWVMFTXMFTKOQ-QZTJIDSGSA-N 2 2 422.643 3.682 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752741 /nfs/dbraw/zinc/75/27/41/1012752741.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 3 2 424.658 3.537 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752756 /nfs/dbraw/zinc/75/27/56/1012752756.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 3 2 424.658 3.537 20 0 HHADLP CSC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913398 1012770810 /nfs/dbraw/zinc/77/08/10/1012770810.db2.gz IXACEOLVJDCKIA-ZWKOTPCHSA-N 2 2 417.541 3.642 20 0 HHADLP CSC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913398 1012770824 /nfs/dbraw/zinc/77/08/24/1012770824.db2.gz IXACEOLVJDCKIA-ZWKOTPCHSA-N 2 2 417.541 3.642 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542011833 1012896098 /nfs/dbraw/zinc/89/60/98/1012896098.db2.gz ZNDXMGWFKCMUKG-ZMYBRWDISA-N 2 2 421.948 3.977 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542011833 1012896111 /nfs/dbraw/zinc/89/61/11/1012896111.db2.gz ZNDXMGWFKCMUKG-ZMYBRWDISA-N 2 2 421.948 3.977 20 0 HHADLP CCOC(=O)[C@H](CC(C)C)[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000542049021 1012957427 /nfs/dbraw/zinc/95/74/27/1012957427.db2.gz NLVNBAVYXGUQSK-NRFANRHFSA-N 2 2 405.583 3.581 20 0 HHADLP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000542049021 1012957433 /nfs/dbraw/zinc/95/74/33/1012957433.db2.gz NLVNBAVYXGUQSK-NRFANRHFSA-N 2 2 405.583 3.581 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684388 1071806803 /nfs/dbraw/zinc/80/68/03/1071806803.db2.gz NQVKUMVPDNHRSR-SFTDATJTSA-N 2 2 408.571 3.613 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684388 1071806818 /nfs/dbraw/zinc/80/68/18/1071806818.db2.gz NQVKUMVPDNHRSR-SFTDATJTSA-N 2 2 408.571 3.613 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684181 1071804635 /nfs/dbraw/zinc/80/46/35/1071804635.db2.gz KPQXUMWEDUQQEA-VNQPRFMTSA-N 2 2 412.374 3.511 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684181 1071804655 /nfs/dbraw/zinc/80/46/55/1071804655.db2.gz KPQXUMWEDUQQEA-VNQPRFMTSA-N 2 2 412.374 3.511 20 0 HHADLP C[NH+]1CCN(c2ccccc2-c2noc([C@](C)([NH3+])c3cccc4ccccc43)n2)CC1 ZINC001212042322 1071926216 /nfs/dbraw/zinc/92/62/16/1071926216.db2.gz YGFKTWBBWJHMND-RUZDIDTESA-N 2 2 413.525 3.864 20 0 HHADLP C[C@@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001687424124 1071969627 /nfs/dbraw/zinc/96/96/27/1071969627.db2.gz NWTCSOBPMLLACD-URXFXBBRSA-N 2 2 417.557 3.788 20 0 HHADLP C[C@@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001687424124 1071969631 /nfs/dbraw/zinc/96/96/31/1071969631.db2.gz NWTCSOBPMLLACD-URXFXBBRSA-N 2 2 417.557 3.788 20 0 HHADLP Cc1cccn2cc(CC(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)[nH+]c12 ZINC000586758597 1072419870 /nfs/dbraw/zinc/41/98/70/1072419870.db2.gz FYVUFYUUPPAQLM-UHFFFAOYSA-N 2 2 419.529 3.638 20 0 HHADLP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001212145008 1072521186 /nfs/dbraw/zinc/52/11/86/1072521186.db2.gz JCJQSACZKVLPHV-VQTJNVASSA-N 3 2 412.513 3.776 20 0 HHADLP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001212145008 1072521198 /nfs/dbraw/zinc/52/11/98/1072521198.db2.gz JCJQSACZKVLPHV-VQTJNVASSA-N 2 2 412.513 3.776 20 0 HHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000571408829 1072614795 /nfs/dbraw/zinc/61/47/95/1072614795.db2.gz CIANZLMEOPONDV-OALUTQOASA-N 2 2 413.562 3.740 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1ccccc1C(F)(F)F ZINC000479402452 1072794476 /nfs/dbraw/zinc/79/44/76/1072794476.db2.gz PGGAZCZGFSYSFT-SFHVURJKSA-N 2 2 400.404 3.786 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)C1 ZINC000479422016 1072821436 /nfs/dbraw/zinc/82/14/36/1072821436.db2.gz OFZWQAQOLHXSTP-IRLDBZIGSA-N 2 2 402.546 3.897 20 0 HHADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555086577 1073148117 /nfs/dbraw/zinc/14/81/17/1073148117.db2.gz BLMBZVMHTDIZGX-HSZRJFAPSA-N 2 2 402.542 3.597 20 0 HHADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555086577 1073148124 /nfs/dbraw/zinc/14/81/24/1073148124.db2.gz BLMBZVMHTDIZGX-HSZRJFAPSA-N 2 2 402.542 3.597 20 0 HHADLP Cc1ccsc1-c1nnc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000590000270 1073440918 /nfs/dbraw/zinc/44/09/18/1073440918.db2.gz JJBIIDJASFZQLY-UHFFFAOYSA-N 2 2 417.579 3.633 20 0 HHADLP CC[N@H+](CC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560858 1073629862 /nfs/dbraw/zinc/62/98/62/1073629862.db2.gz RBBRIGJQUQIFHK-OAQYLSRUSA-N 2 2 413.993 3.843 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560858 1073629867 /nfs/dbraw/zinc/62/98/67/1073629867.db2.gz RBBRIGJQUQIFHK-OAQYLSRUSA-N 2 2 413.993 3.843 20 0 HHADLP CC[NH+](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560858 1073629869 /nfs/dbraw/zinc/62/98/69/1073629869.db2.gz RBBRIGJQUQIFHK-OAQYLSRUSA-N 2 2 413.993 3.843 20 0 HHADLP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560858 1073629873 /nfs/dbraw/zinc/62/98/73/1073629873.db2.gz RBBRIGJQUQIFHK-OAQYLSRUSA-N 2 2 413.993 3.843 20 0 HHADLP c1cc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929119 1074040204 /nfs/dbraw/zinc/04/02/04/1074040204.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929119 1074040218 /nfs/dbraw/zinc/04/02/18/1074040218.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929119 1074040224 /nfs/dbraw/zinc/04/02/24/1074040224.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 2 404.562 3.892 20 0 HHADLP c1cc([C@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](c5cc[nH]n5)C4)cc3)C2)[nH]n1 ZINC000590929119 1074040237 /nfs/dbraw/zinc/04/02/37/1074040237.db2.gz SYVKQYURDAZAGE-VXKWHMMOSA-N 2 2 404.562 3.892 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000593500463 1075204969 /nfs/dbraw/zinc/20/49/69/1075204969.db2.gz IJCHDKRHMYTCGD-UHFFFAOYSA-N 2 2 400.523 3.701 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000574789227 1075379144 /nfs/dbraw/zinc/37/91/44/1075379144.db2.gz KUWBWNRBHDRIOP-JOCHJYFZSA-N 2 2 408.571 3.615 20 0 HHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344382 1075603460 /nfs/dbraw/zinc/60/34/60/1075603460.db2.gz VLMWZWBFYRFWSL-RTBURBONSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344382 1075603463 /nfs/dbraw/zinc/60/34/63/1075603463.db2.gz VLMWZWBFYRFWSL-RTBURBONSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)COc1ccc(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601472873 1075618221 /nfs/dbraw/zinc/61/82/21/1075618221.db2.gz YMXCPYZMNJKPHZ-QFIPXVFZSA-N 2 2 415.622 3.626 20 0 HHADLP CC(C)COc1ccc(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601472873 1075618223 /nfs/dbraw/zinc/61/82/23/1075618223.db2.gz YMXCPYZMNJKPHZ-QFIPXVFZSA-N 2 2 415.622 3.626 20 0 HHADLP CN(C(=O)CCOc1ccccc1-c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473601 1075618834 /nfs/dbraw/zinc/61/88/34/1075618834.db2.gz GWZAGGDGYWHAMT-QHCPKHFHSA-N 2 2 421.585 3.749 20 0 HHADLP CN(C(=O)CCOc1ccccc1-c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473601 1075618835 /nfs/dbraw/zinc/61/88/35/1075618835.db2.gz GWZAGGDGYWHAMT-QHCPKHFHSA-N 2 2 421.585 3.749 20 0 HHADLP Cc1cccc(Nc2ccccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602202403 1075712271 /nfs/dbraw/zinc/71/22/71/1075712271.db2.gz JJNUXDJMKMCJTR-HXUWFJFHSA-N 2 2 406.574 3.945 20 0 HHADLP Cc1cccc(Nc2ccccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602202403 1075712274 /nfs/dbraw/zinc/71/22/74/1075712274.db2.gz JJNUXDJMKMCJTR-HXUWFJFHSA-N 2 2 406.574 3.945 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3SCc3cccs3)C2)CC1 ZINC000602203762 1075712784 /nfs/dbraw/zinc/71/27/84/1075712784.db2.gz HPXCPWHFPRMDNH-QGZVFWFLSA-N 2 2 415.628 3.939 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3SCc3cccs3)C2)CC1 ZINC000602203762 1075712789 /nfs/dbraw/zinc/71/27/89/1075712789.db2.gz HPXCPWHFPRMDNH-QGZVFWFLSA-N 2 2 415.628 3.939 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)C2)CC1 ZINC000602200687 1075717225 /nfs/dbraw/zinc/71/72/25/1075717225.db2.gz GUJXAGXZTOKJCH-QHCPKHFHSA-N 2 2 417.597 3.865 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)C2)CC1 ZINC000602200687 1075717227 /nfs/dbraw/zinc/71/72/27/1075717227.db2.gz GUJXAGXZTOKJCH-QHCPKHFHSA-N 2 2 417.597 3.865 20 0 HHADLP CCN(CC)c1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc[nH+]1 ZINC001164691545 719811429 /nfs/dbraw/zinc/81/14/29/719811429.db2.gz GVKVDLSYHZICBT-UHFFFAOYSA-N 2 2 400.596 3.723 20 0 HHADLP CCN(CC)c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc[nH+]1 ZINC001164691545 719811430 /nfs/dbraw/zinc/81/14/30/719811430.db2.gz GVKVDLSYHZICBT-UHFFFAOYSA-N 2 2 400.596 3.723 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001164819280 720306318 /nfs/dbraw/zinc/30/63/18/720306318.db2.gz DHMMUJSQNKWCKF-XZOQPEGZSA-N 2 2 404.558 3.660 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740224 720826231 /nfs/dbraw/zinc/82/62/31/720826231.db2.gz JPVCKQZDWQMVKA-ZRCGQRJVSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740224 720826234 /nfs/dbraw/zinc/82/62/34/720826234.db2.gz JPVCKQZDWQMVKA-ZRCGQRJVSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164748001 720922247 /nfs/dbraw/zinc/92/22/47/720922247.db2.gz FAEHZHCSWUSKKO-ZCYQVOJMSA-N 2 2 421.589 3.552 20 0 HHADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164748001 720922268 /nfs/dbraw/zinc/92/22/68/720922268.db2.gz FAEHZHCSWUSKKO-ZCYQVOJMSA-N 2 2 421.589 3.552 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795117 721498612 /nfs/dbraw/zinc/49/86/12/721498612.db2.gz DMONCYWKLFSKER-SNAWJCMRSA-N 2 2 420.557 3.852 20 0 HHADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795117 721498614 /nfs/dbraw/zinc/49/86/14/721498614.db2.gz DMONCYWKLFSKER-SNAWJCMRSA-N 2 2 420.557 3.852 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCCCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164939023 721930356 /nfs/dbraw/zinc/93/03/56/721930356.db2.gz HGUPUCHAOFGJHA-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCCCC5)[nH+]cn4)CC3)C2)cc1 ZINC001164939023 721930362 /nfs/dbraw/zinc/93/03/62/721930362.db2.gz HGUPUCHAOFGJHA-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP Cc1cc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)[nH+]1 ZINC001164945989 721976433 /nfs/dbraw/zinc/97/64/33/721976433.db2.gz IBSDNQISJSSJGD-UHFFFAOYSA-N 2 2 400.526 3.514 20 0 HHADLP Cc1cc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001164945989 721976434 /nfs/dbraw/zinc/97/64/34/721976434.db2.gz IBSDNQISJSSJGD-UHFFFAOYSA-N 2 2 400.526 3.514 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(N2CCCC2)c1 ZINC000553075414 1013047949 /nfs/dbraw/zinc/04/79/49/1013047949.db2.gz LASRJSRBFUAUQM-KRWDZBQOSA-N 2 2 413.591 3.628 20 0 HHADLP Nc1nc(-n2cccn2)cc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH+]1 ZINC000301988178 971143875 /nfs/dbraw/zinc/14/38/75/971143875.db2.gz VXDCNJAJCAITND-UHFFFAOYSA-N 2 2 422.496 3.768 20 0 HHADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000302234334 971214542 /nfs/dbraw/zinc/21/45/42/971214542.db2.gz UCSHEXNTXUBHTD-QFIPXVFZSA-N 2 2 406.917 3.746 20 0 HHADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303041738 971472909 /nfs/dbraw/zinc/47/29/09/971472909.db2.gz SIWPOSGUAUNZTJ-HXUWFJFHSA-N 2 2 416.516 3.717 20 0 HHADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303041738 971472913 /nfs/dbraw/zinc/47/29/13/971472913.db2.gz SIWPOSGUAUNZTJ-HXUWFJFHSA-N 2 2 416.516 3.717 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180166 1013118914 /nfs/dbraw/zinc/11/89/14/1013118914.db2.gz VROYCPCSQDQCQJ-UXHICEINSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180166 1013118918 /nfs/dbraw/zinc/11/89/18/1013118918.db2.gz VROYCPCSQDQCQJ-UXHICEINSA-N 2 2 404.624 3.603 20 0 HHADLP COc1cc2c(c(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c1)O[C@@H](C)C2 ZINC000537622285 1013169624 /nfs/dbraw/zinc/16/96/24/1013169624.db2.gz UVBAUHAVYBPALI-IBGZPJMESA-N 3 2 415.622 3.647 20 0 HHADLP COc1cc2c(c(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c1)O[C@@H](C)C2 ZINC000537622285 1013169633 /nfs/dbraw/zinc/16/96/33/1013169633.db2.gz UVBAUHAVYBPALI-IBGZPJMESA-N 3 2 415.622 3.647 20 0 HHADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000553515316 1013414550 /nfs/dbraw/zinc/41/45/50/1013414550.db2.gz NJMMRGQJXUITQY-JOCHJYFZSA-N 2 2 421.029 3.937 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000542477374 1013424650 /nfs/dbraw/zinc/42/46/50/1013424650.db2.gz HOTYTAVLMLBNJJ-DEOSSOPVSA-N 2 2 405.521 3.637 20 0 HHADLP CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000542486898 1013434420 /nfs/dbraw/zinc/43/44/20/1013434420.db2.gz ORTISRDSDJMVLO-UHFFFAOYSA-N 2 2 407.558 3.760 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC000024250887 963967618 /nfs/dbraw/zinc/96/76/18/963967618.db2.gz GBPHNYHZRHMOIE-QGZVFWFLSA-N 2 2 416.516 3.738 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC000024250887 963967624 /nfs/dbraw/zinc/96/76/24/963967624.db2.gz GBPHNYHZRHMOIE-QGZVFWFLSA-N 2 2 416.516 3.738 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000048685879 964027556 /nfs/dbraw/zinc/02/75/56/964027556.db2.gz PNJPCVGIIPTCQS-UHFFFAOYSA-N 2 2 403.368 3.968 20 0 HHADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OCc1cccnc1 ZINC000048782526 964060464 /nfs/dbraw/zinc/06/04/64/964060464.db2.gz RHWCSVKZSZKSKC-UHFFFAOYSA-N 2 2 415.497 3.848 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(OCc4cccs4)c3)CC2)CC1 ZINC000050798360 964400079 /nfs/dbraw/zinc/40/00/79/964400079.db2.gz PZTZDODCLLMKFC-UHFFFAOYSA-N 2 2 413.587 3.616 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000026216905 964487470 /nfs/dbraw/zinc/48/74/70/964487470.db2.gz YBCOAJIOBZEFSU-UHFFFAOYSA-N 2 2 402.542 3.890 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000051233012 964501523 /nfs/dbraw/zinc/50/15/23/964501523.db2.gz YLWZYEHFIUOOLK-UHFFFAOYSA-N 2 2 405.995 3.923 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000051233012 964501527 /nfs/dbraw/zinc/50/15/27/964501527.db2.gz YLWZYEHFIUOOLK-UHFFFAOYSA-N 2 2 405.995 3.923 20 0 HHADLP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000051264449 964511114 /nfs/dbraw/zinc/51/11/14/964511114.db2.gz CXSOFINOSZDUTA-SFHVURJKSA-N 2 2 408.468 3.783 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000026343591 964531774 /nfs/dbraw/zinc/53/17/74/964531774.db2.gz GVFSXWKATOQEEE-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000026343591 964531781 /nfs/dbraw/zinc/53/17/81/964531781.db2.gz GVFSXWKATOQEEE-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000026343591 964531783 /nfs/dbraw/zinc/53/17/83/964531783.db2.gz GVFSXWKATOQEEE-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000026343591 964531786 /nfs/dbraw/zinc/53/17/86/964531786.db2.gz GVFSXWKATOQEEE-UHFFFAOYSA-N 2 2 415.965 3.515 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000051335308 964538739 /nfs/dbraw/zinc/53/87/39/964538739.db2.gz XAEKOGDIYNFXOW-UHFFFAOYSA-N 2 2 416.953 3.824 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)CC2)CC1 ZINC000051761481 964689102 /nfs/dbraw/zinc/68/91/02/964689102.db2.gz RFLVSEYWYWZSEW-UHFFFAOYSA-N 2 2 414.569 3.573 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC2)CC1 ZINC000051759898 964689790 /nfs/dbraw/zinc/68/97/90/964689790.db2.gz HICRIKQDAKDZJX-QHCPKHFHSA-N 2 2 416.585 3.915 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cn2cc(Br)cn2)c(C)c1 ZINC000537951921 1013533101 /nfs/dbraw/zinc/53/31/01/1013533101.db2.gz JIMSZXKQCWMRRG-LPHOPBHVSA-N 2 2 402.340 3.879 20 0 HHADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)s1 ZINC000537976414 1013553008 /nfs/dbraw/zinc/55/30/08/1013553008.db2.gz WRTJXQJZBKMKCS-HOTGVXAUSA-N 2 2 421.998 3.738 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057154178 965314901 /nfs/dbraw/zinc/31/49/01/965314901.db2.gz OYGAMTYRWKWQDH-QHCPKHFHSA-N 2 2 402.542 3.502 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057154178 965314913 /nfs/dbraw/zinc/31/49/13/965314913.db2.gz OYGAMTYRWKWQDH-QHCPKHFHSA-N 2 2 402.542 3.502 20 0 HHADLP Cc1cc(N2CCC([NH2+][C@@H](c3ccn(C)n3)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000542662972 1013589631 /nfs/dbraw/zinc/58/96/31/1013589631.db2.gz WPZLYKWUMGEJQD-JOCHJYFZSA-N 2 2 410.953 3.828 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000542665340 1013590686 /nfs/dbraw/zinc/59/06/86/1013590686.db2.gz JEEGHIBECJNJKG-VWPQPMDRSA-N 2 2 400.588 3.657 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000542665340 1013590691 /nfs/dbraw/zinc/59/06/91/1013590691.db2.gz JEEGHIBECJNJKG-VWPQPMDRSA-N 2 2 400.588 3.657 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000542665338 1013591134 /nfs/dbraw/zinc/59/11/34/1013591134.db2.gz JEEGHIBECJNJKG-ONTIZHBOSA-N 2 2 400.588 3.657 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000542665338 1013591141 /nfs/dbraw/zinc/59/11/41/1013591141.db2.gz JEEGHIBECJNJKG-ONTIZHBOSA-N 2 2 400.588 3.657 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058879429 965938217 /nfs/dbraw/zinc/93/82/17/965938217.db2.gz DZYXSPRUWPKKGT-QHCPKHFHSA-N 2 2 415.647 3.937 20 0 HHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C[C@H](C)O1 ZINC000060368397 966116152 /nfs/dbraw/zinc/11/61/52/966116152.db2.gz YJCUFOFSMCFZNE-GJZGRUSLSA-N 2 2 411.377 3.962 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054552 1013630226 /nfs/dbraw/zinc/63/02/26/1013630226.db2.gz XDRAZLVKTSALFD-SFTDATJTSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054552 1013630231 /nfs/dbraw/zinc/63/02/31/1013630231.db2.gz XDRAZLVKTSALFD-SFTDATJTSA-N 2 2 422.976 3.788 20 0 HHADLP CCOc1c(Br)cc(C[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000041063321 966519007 /nfs/dbraw/zinc/51/90/07/966519007.db2.gz SXEVTUJEVSQMHR-UHFFFAOYSA-N 2 2 403.118 3.597 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000061867821 966567793 /nfs/dbraw/zinc/56/77/93/966567793.db2.gz WELOBZDPKAVPDL-HXUWFJFHSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000061867821 966567800 /nfs/dbraw/zinc/56/78/00/966567800.db2.gz WELOBZDPKAVPDL-HXUWFJFHSA-N 2 2 421.589 3.924 20 0 HHADLP O=C(CC[NH2+][C@@H](c1ccccc1F)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538098954 1013668682 /nfs/dbraw/zinc/66/86/82/1013668682.db2.gz MYXIZVQJWNNGBI-XMMPIXPASA-N 2 2 410.537 3.781 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063463912 966866612 /nfs/dbraw/zinc/86/66/12/966866612.db2.gz UHTBVNTZHMYGJN-HSZRJFAPSA-N 2 2 421.589 3.783 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463912 966866615 /nfs/dbraw/zinc/86/66/15/966866615.db2.gz UHTBVNTZHMYGJN-HSZRJFAPSA-N 2 2 421.589 3.783 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(OC(F)F)cc1 ZINC000538119990 1013682215 /nfs/dbraw/zinc/68/22/15/1013682215.db2.gz JYNUDLMSXPFXMF-CYBMUJFWSA-N 2 2 410.490 3.630 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)n2)C1 ZINC000043547381 966996728 /nfs/dbraw/zinc/99/67/28/966996728.db2.gz RRPRMSGLGCXAGR-AEFFLSMTSA-N 2 2 417.579 3.927 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)n2)C1 ZINC000043547381 966996730 /nfs/dbraw/zinc/99/67/30/966996730.db2.gz RRPRMSGLGCXAGR-AEFFLSMTSA-N 2 2 417.579 3.927 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000064237260 967100727 /nfs/dbraw/zinc/10/07/27/967100727.db2.gz SSPUVTMGCTVHOF-DEOSSOPVSA-N 2 2 417.557 3.876 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353322 967201004 /nfs/dbraw/zinc/20/10/04/967201004.db2.gz CPEDKSWNYLITAU-UHFFFAOYSA-N 2 2 417.145 3.987 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644184 967257702 /nfs/dbraw/zinc/25/77/02/967257702.db2.gz GPOWCSGOZQBAES-NRFANRHFSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644184 967257711 /nfs/dbraw/zinc/25/77/11/967257711.db2.gz GPOWCSGOZQBAES-NRFANRHFSA-N 2 2 423.586 3.704 20 0 HHADLP CC(C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045718091 967541060 /nfs/dbraw/zinc/54/10/60/967541060.db2.gz WHIAEBAIQLGVPX-DEOSSOPVSA-N 2 2 402.542 3.744 20 0 HHADLP CC(C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000045718091 967541066 /nfs/dbraw/zinc/54/10/66/967541066.db2.gz WHIAEBAIQLGVPX-DEOSSOPVSA-N 2 2 402.542 3.744 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045986946 967621644 /nfs/dbraw/zinc/62/16/44/967621644.db2.gz OZYGDEBVKRHGDY-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000045987299 967621676 /nfs/dbraw/zinc/62/16/76/967621676.db2.gz RCZFNMWEKXFYAZ-UHFFFAOYSA-N 2 2 400.592 3.617 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000538250343 1013794434 /nfs/dbraw/zinc/79/44/34/1013794434.db2.gz LGKNJJBXAQDHDX-JOCHJYFZSA-N 2 2 413.566 3.874 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000538250343 1013794441 /nfs/dbraw/zinc/79/44/41/1013794441.db2.gz LGKNJJBXAQDHDX-JOCHJYFZSA-N 2 2 413.566 3.874 20 0 HHADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264472 1013806294 /nfs/dbraw/zinc/80/62/94/1013806294.db2.gz WOTQPTTUFUFTEJ-FGZHOGPDSA-N 2 2 408.590 3.728 20 0 HHADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264472 1013806302 /nfs/dbraw/zinc/80/63/02/1013806302.db2.gz WOTQPTTUFUFTEJ-FGZHOGPDSA-N 2 2 408.590 3.728 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097604726 969178658 /nfs/dbraw/zinc/17/86/58/969178658.db2.gz LRQPGSQXLAXVJX-MFKMUULPSA-N 2 2 406.162 3.793 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097604726 969178659 /nfs/dbraw/zinc/17/86/59/969178659.db2.gz LRQPGSQXLAXVJX-MFKMUULPSA-N 2 2 406.162 3.793 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000107938656 969346635 /nfs/dbraw/zinc/34/66/35/969346635.db2.gz GSBMRFKELODWHX-WOJBJXKFSA-N 2 2 401.599 3.629 20 0 HHADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110728315 969714546 /nfs/dbraw/zinc/71/45/46/969714546.db2.gz IUPQFPVGQVTDKE-KURKYZTESA-N 2 2 405.608 3.557 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CCOC4CCCCCC4)C3)CC2)nc1 ZINC000112664561 969822833 /nfs/dbraw/zinc/82/28/33/969822833.db2.gz GEPTXQAZWIUTCC-JOCHJYFZSA-N 2 2 400.611 3.655 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CCOC4CCCCCC4)C3)CC2)nc1 ZINC000112664561 969822838 /nfs/dbraw/zinc/82/28/38/969822838.db2.gz GEPTXQAZWIUTCC-JOCHJYFZSA-N 2 2 400.611 3.655 20 0 HHADLP C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981628 970058413 /nfs/dbraw/zinc/05/84/13/970058413.db2.gz AHQZREIXIIZHPG-VGOFRKELSA-N 2 2 414.594 3.636 20 0 HHADLP Cc1cc(Br)cc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000215983454 970058699 /nfs/dbraw/zinc/05/86/99/970058699.db2.gz IKCYLKXMZLFWKK-UHFFFAOYSA-N 2 2 423.399 3.746 20 0 HHADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1OC(F)F ZINC000215996583 970059734 /nfs/dbraw/zinc/05/97/34/970059734.db2.gz MUFVNKQQNBXNJC-IBGZPJMESA-N 2 2 424.536 3.597 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3COc3ccccc3)CC2)CC1 ZINC000216001240 970059851 /nfs/dbraw/zinc/05/98/51/970059851.db2.gz WAGOMOYRESBWEL-UHFFFAOYSA-N 2 2 422.573 3.946 20 0 HHADLP c1cnn(-c2ccc(C[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000236698545 970157661 /nfs/dbraw/zinc/15/76/61/970157661.db2.gz XFMFZVPZNLPCCK-UHFFFAOYSA-N 2 2 403.574 3.560 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000237101798 970222213 /nfs/dbraw/zinc/22/22/13/970222213.db2.gz WFGLHVMQEXGICE-UHFFFAOYSA-N 2 2 422.356 3.806 20 0 HHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCc1cccs1 ZINC000237157366 970233675 /nfs/dbraw/zinc/23/36/75/970233675.db2.gz PGIOZKGAAXQKEQ-ROUUACIJSA-N 2 2 404.576 3.925 20 0 HHADLP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000237593228 970319149 /nfs/dbraw/zinc/31/91/49/970319149.db2.gz VZKFARCZPCNALV-LJQANCHMSA-N 2 2 412.965 3.933 20 0 HHADLP FC(F)Oc1cc2c(cc1C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)OCO2 ZINC000237857185 970383571 /nfs/dbraw/zinc/38/35/71/970383571.db2.gz KMXVGWOZNBLYMZ-UHFFFAOYSA-N 2 2 404.457 3.813 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@@H](C)O1 ZINC000195617512 970559888 /nfs/dbraw/zinc/55/98/88/970559888.db2.gz LGRZTECCJBTYOV-MBOZVWFJSA-N 2 2 416.591 3.782 20 0 HHADLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4ccc(Br)cc34)cn2)CC1 ZINC000301094654 970745203 /nfs/dbraw/zinc/74/52/03/970745203.db2.gz GGWGWZKYPNGNNL-UHFFFAOYSA-N 2 2 412.335 3.756 20 0 HHADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000310976811 972625488 /nfs/dbraw/zinc/62/54/88/972625488.db2.gz DISVRHUJRYELMM-SFHVURJKSA-N 2 2 405.384 3.883 20 0 HHADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000310976811 972625495 /nfs/dbraw/zinc/62/54/95/972625495.db2.gz DISVRHUJRYELMM-SFHVURJKSA-N 2 2 405.384 3.883 20 0 HHADLP CC[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000554820393 1014058309 /nfs/dbraw/zinc/05/83/09/1014058309.db2.gz LSUSAMQUXUUAQF-QFIPXVFZSA-N 2 2 406.574 3.782 20 0 HHADLP CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000554820393 1014058313 /nfs/dbraw/zinc/05/83/13/1014058313.db2.gz LSUSAMQUXUUAQF-QFIPXVFZSA-N 2 2 406.574 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005173 972875371 /nfs/dbraw/zinc/87/53/71/972875371.db2.gz YQQSWJMMPYZAGX-APWZRJJASA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005173 972875381 /nfs/dbraw/zinc/87/53/81/972875381.db2.gz YQQSWJMMPYZAGX-APWZRJJASA-N 2 2 416.363 3.888 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000409477826 972926680 /nfs/dbraw/zinc/92/66/80/972926680.db2.gz QHKFJRALMOSOKK-OAQYLSRUSA-N 2 2 423.536 3.764 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760099 973236403 /nfs/dbraw/zinc/23/64/03/973236403.db2.gz JBXLDBYNVDMBFP-VQTJNVASSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760099 973236410 /nfs/dbraw/zinc/23/64/10/973236410.db2.gz JBXLDBYNVDMBFP-VQTJNVASSA-N 2 2 401.599 3.619 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973138 974079752 /nfs/dbraw/zinc/07/97/52/974079752.db2.gz GHYIRXGSYNIEGW-DLBZAZTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973138 974079761 /nfs/dbraw/zinc/07/97/61/974079761.db2.gz GHYIRXGSYNIEGW-DLBZAZTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973138 974079775 /nfs/dbraw/zinc/07/97/75/974079775.db2.gz GHYIRXGSYNIEGW-DLBZAZTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973138 974079787 /nfs/dbraw/zinc/07/97/87/974079787.db2.gz GHYIRXGSYNIEGW-DLBZAZTESA-N 2 2 420.907 3.659 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426012226 974130397 /nfs/dbraw/zinc/13/03/97/974130397.db2.gz CGHFYUATANJIIN-STZQEDGTSA-N 2 2 409.578 3.921 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426012226 974130402 /nfs/dbraw/zinc/13/04/02/974130402.db2.gz CGHFYUATANJIIN-STZQEDGTSA-N 2 2 409.578 3.921 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccsc1 ZINC000426033942 974156126 /nfs/dbraw/zinc/15/61/26/974156126.db2.gz GQMLUTRBBBLGMK-PWRODBHTSA-N 2 2 409.559 3.775 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426041423 974163698 /nfs/dbraw/zinc/16/36/98/974163698.db2.gz FEYUMBRQMWPQPW-PKTZIBPZSA-N 2 2 403.530 3.673 20 0 HHADLP C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000426152008 974268898 /nfs/dbraw/zinc/26/88/98/974268898.db2.gz YONITAHVVZSCHA-KNQAVFIVSA-N 2 2 411.550 3.863 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426239144 974335699 /nfs/dbraw/zinc/33/56/99/974335699.db2.gz QXOICFPJDOLDCA-XWGVYQGASA-N 2 2 417.557 3.584 20 0 HHADLP C[N@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251625 974346803 /nfs/dbraw/zinc/34/68/03/974346803.db2.gz MFKWULPIAQZSAI-RPWUZVMVSA-N 2 2 417.557 3.933 20 0 HHADLP C[N@@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251625 974346814 /nfs/dbraw/zinc/34/68/14/974346814.db2.gz MFKWULPIAQZSAI-RPWUZVMVSA-N 2 2 417.557 3.933 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000426788363 974660335 /nfs/dbraw/zinc/66/03/35/974660335.db2.gz MMKQYJQGNVNXJP-CEXWTWQISA-N 2 2 405.558 3.672 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000426788363 974660340 /nfs/dbraw/zinc/66/03/40/974660340.db2.gz MMKQYJQGNVNXJP-CEXWTWQISA-N 2 2 405.558 3.672 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426822082 974687697 /nfs/dbraw/zinc/68/76/97/974687697.db2.gz ZOXYYRSQIIYZHW-KURKYZTESA-N 2 2 407.986 3.878 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689977 975239856 /nfs/dbraw/zinc/23/98/56/975239856.db2.gz KWLWKAJXCPORLJ-XJABCFGWSA-N 2 2 419.491 3.950 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689977 975239860 /nfs/dbraw/zinc/23/98/60/975239860.db2.gz KWLWKAJXCPORLJ-XJABCFGWSA-N 2 2 419.491 3.950 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842650 975316856 /nfs/dbraw/zinc/31/68/56/975316856.db2.gz KUEAXIJRVFKUBJ-CVDCTZTESA-N 2 2 415.603 3.642 20 0 HHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842650 975316864 /nfs/dbraw/zinc/31/68/64/975316864.db2.gz KUEAXIJRVFKUBJ-CVDCTZTESA-N 2 2 415.603 3.642 20 0 HHADLP c1ccc(-c2ccc3c(c2)[C@@H]([NH2+]C2CCN(CC[NH+]4CCOCC4)CC2)CC3)cc1 ZINC000427849816 975320304 /nfs/dbraw/zinc/32/03/04/975320304.db2.gz GPOLDNKUHAVJSI-SANMLTNESA-N 2 2 405.586 3.727 20 0 HHADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000427889266 975333990 /nfs/dbraw/zinc/33/39/90/975333990.db2.gz WADRVHPQMHUZJG-XXBNENTESA-N 2 2 409.555 3.597 20 0 HHADLP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222053 975544171 /nfs/dbraw/zinc/54/41/71/975544171.db2.gz SRUDDLMJHMEWBA-MSOLQXFVSA-N 2 2 410.653 3.920 20 0 HHADLP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)C1 ZINC000428222053 975544187 /nfs/dbraw/zinc/54/41/87/975544187.db2.gz SRUDDLMJHMEWBA-MSOLQXFVSA-N 2 2 410.653 3.920 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428302085 975612272 /nfs/dbraw/zinc/61/22/72/975612272.db2.gz FBOROCPZAPHMIK-OFNKIYASSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428302085 975612278 /nfs/dbraw/zinc/61/22/78/975612278.db2.gz FBOROCPZAPHMIK-OFNKIYASSA-N 2 2 421.589 3.924 20 0 HHADLP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437249 975750182 /nfs/dbraw/zinc/75/01/82/975750182.db2.gz HKHVLQXDJCIGEF-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437249 975750197 /nfs/dbraw/zinc/75/01/97/975750197.db2.gz HKHVLQXDJCIGEF-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428437249 975750203 /nfs/dbraw/zinc/75/02/03/975750203.db2.gz HKHVLQXDJCIGEF-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428437249 975750210 /nfs/dbraw/zinc/75/02/10/975750210.db2.gz HKHVLQXDJCIGEF-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428814293 976094021 /nfs/dbraw/zinc/09/40/21/976094021.db2.gz GFSKPNCVOIMBSF-RBBKRZOGSA-N 2 2 411.594 3.920 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428814293 976094036 /nfs/dbraw/zinc/09/40/36/976094036.db2.gz GFSKPNCVOIMBSF-RBBKRZOGSA-N 2 2 411.594 3.920 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428965065 976253667 /nfs/dbraw/zinc/25/36/67/976253667.db2.gz HLJVFWSYSFMRRJ-IRLDBZIGSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428965065 976253677 /nfs/dbraw/zinc/25/36/77/976253677.db2.gz HLJVFWSYSFMRRJ-IRLDBZIGSA-N 2 2 411.594 3.778 20 0 HHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426159 976704175 /nfs/dbraw/zinc/70/41/75/976704175.db2.gz MZFWMIBZFIDXRP-OFNKIYASSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426159 976704179 /nfs/dbraw/zinc/70/41/79/976704179.db2.gz MZFWMIBZFIDXRP-OFNKIYASSA-N 2 2 409.574 3.901 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431841 976710976 /nfs/dbraw/zinc/71/09/76/976710976.db2.gz WRKWFIRRBGNNPQ-GCJKJVERSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431841 976710985 /nfs/dbraw/zinc/71/09/85/976710985.db2.gz WRKWFIRRBGNNPQ-GCJKJVERSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431840 976711217 /nfs/dbraw/zinc/71/12/17/976711217.db2.gz WRKWFIRRBGNNPQ-AVRDEDQJSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431840 976711223 /nfs/dbraw/zinc/71/12/23/976711223.db2.gz WRKWFIRRBGNNPQ-AVRDEDQJSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429431843 976711335 /nfs/dbraw/zinc/71/13/35/976711335.db2.gz WRKWFIRRBGNNPQ-XMSQKQJNSA-N 2 2 415.965 3.938 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429431843 976711337 /nfs/dbraw/zinc/71/13/37/976711337.db2.gz WRKWFIRRBGNNPQ-XMSQKQJNSA-N 2 2 415.965 3.938 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442483 976721247 /nfs/dbraw/zinc/72/12/47/976721247.db2.gz LAGUNVVSRBWDRW-AVRDEDQJSA-N 2 2 411.546 3.595 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442483 976721257 /nfs/dbraw/zinc/72/12/57/976721257.db2.gz LAGUNVVSRBWDRW-AVRDEDQJSA-N 2 2 411.546 3.595 20 0 HHADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678082 976974275 /nfs/dbraw/zinc/97/42/75/976974275.db2.gz AQUDFYMFOKLODU-AAIMPIBUSA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678082 976974287 /nfs/dbraw/zinc/97/42/87/976974287.db2.gz AQUDFYMFOKLODU-AAIMPIBUSA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678089 976974661 /nfs/dbraw/zinc/97/46/61/976974661.db2.gz AQUDFYMFOKLODU-ZEYPLWLESA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678089 976974669 /nfs/dbraw/zinc/97/46/69/976974669.db2.gz AQUDFYMFOKLODU-ZEYPLWLESA-N 2 2 423.557 3.738 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000430152105 977350967 /nfs/dbraw/zinc/35/09/67/977350967.db2.gz SPMNPPWKMIAUBG-FQEVSTJZSA-N 2 2 407.327 3.876 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430166926 977362502 /nfs/dbraw/zinc/36/25/02/977362502.db2.gz RLZFROUEUOBFKH-UHFFFAOYSA-N 2 2 417.985 3.869 20 0 HHADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000430223722 977402394 /nfs/dbraw/zinc/40/23/94/977402394.db2.gz VNVVSRUPISFBAQ-HXUWFJFHSA-N 2 2 420.395 3.637 20 0 HHADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000430223722 977402420 /nfs/dbraw/zinc/40/24/20/977402420.db2.gz VNVVSRUPISFBAQ-HXUWFJFHSA-N 2 2 420.395 3.637 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1C ZINC000430235391 977409436 /nfs/dbraw/zinc/40/94/36/977409436.db2.gz DICVXHARSKELBX-DEOSSOPVSA-N 2 2 410.562 3.903 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1C ZINC000430235391 977409442 /nfs/dbraw/zinc/40/94/42/977409442.db2.gz DICVXHARSKELBX-DEOSSOPVSA-N 2 2 410.562 3.903 20 0 HHADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000430710701 977707190 /nfs/dbraw/zinc/70/71/90/977707190.db2.gz TYMOVQPPNPLWLD-WOJBJXKFSA-N 2 2 412.578 3.680 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430863570 977823269 /nfs/dbraw/zinc/82/32/69/977823269.db2.gz QYAZIFBRHVQECR-UHFFFAOYSA-N 2 2 414.941 3.734 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000430919431 977886833 /nfs/dbraw/zinc/88/68/33/977886833.db2.gz QKKHABHKWFQOON-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000430919431 977886848 /nfs/dbraw/zinc/88/68/48/977886848.db2.gz QKKHABHKWFQOON-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933414 977898279 /nfs/dbraw/zinc/89/82/79/977898279.db2.gz KMYFRULWLBFBNU-HXUWFJFHSA-N 3 2 414.638 3.704 20 0 HHADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933414 977898285 /nfs/dbraw/zinc/89/82/85/977898285.db2.gz KMYFRULWLBFBNU-HXUWFJFHSA-N 3 2 414.638 3.704 20 0 HHADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430938841 977901418 /nfs/dbraw/zinc/90/14/18/977901418.db2.gz JLVRCGAIPLCUNB-KRWDZBQOSA-N 3 2 417.623 3.987 20 0 HHADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430938841 977901424 /nfs/dbraw/zinc/90/14/24/977901424.db2.gz JLVRCGAIPLCUNB-KRWDZBQOSA-N 3 2 417.623 3.987 20 0 HHADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430939102 977901916 /nfs/dbraw/zinc/90/19/16/977901916.db2.gz FCWLCPBJUQJVAL-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430939102 977901921 /nfs/dbraw/zinc/90/19/21/977901921.db2.gz FCWLCPBJUQJVAL-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430950406 977909535 /nfs/dbraw/zinc/90/95/35/977909535.db2.gz HRRZKZOGLXTBSP-KRWDZBQOSA-N 3 2 417.623 3.987 20 0 HHADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430950406 977909544 /nfs/dbraw/zinc/90/95/44/977909544.db2.gz HRRZKZOGLXTBSP-KRWDZBQOSA-N 3 2 417.623 3.987 20 0 HHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000431330861 978216208 /nfs/dbraw/zinc/21/62/08/978216208.db2.gz DIYKCWRTAVVKJL-FQEVSTJZSA-N 2 2 400.954 3.799 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431601046 978377064 /nfs/dbraw/zinc/37/70/64/978377064.db2.gz RGHCPYYOOVSBNY-UHFFFAOYSA-N 2 2 402.542 3.776 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431801934 978524743 /nfs/dbraw/zinc/52/47/43/978524743.db2.gz QNSUDRFOEYSMBH-QPPBQGQZSA-N 2 2 416.569 3.985 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431801934 978524747 /nfs/dbraw/zinc/52/47/47/978524747.db2.gz QNSUDRFOEYSMBH-QPPBQGQZSA-N 2 2 416.569 3.985 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C[C@H](C)O1 ZINC000432671074 978931290 /nfs/dbraw/zinc/93/12/90/978931290.db2.gz PXTPUSHCDLGGBN-AQNXPRMDSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C[C@H](C)O1 ZINC000432671074 978931294 /nfs/dbraw/zinc/93/12/94/978931294.db2.gz PXTPUSHCDLGGBN-AQNXPRMDSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C[C@H](C)O1 ZINC000432671074 978931296 /nfs/dbraw/zinc/93/12/96/978931296.db2.gz PXTPUSHCDLGGBN-AQNXPRMDSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)C[C@H](C)O1 ZINC000432671074 978931299 /nfs/dbraw/zinc/93/12/99/978931299.db2.gz PXTPUSHCDLGGBN-AQNXPRMDSA-N 2 2 414.594 3.634 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000432962712 979026437 /nfs/dbraw/zinc/02/64/37/979026437.db2.gz SFXPZVOZNYIJSI-WOJBJXKFSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000432962712 979026441 /nfs/dbraw/zinc/02/64/41/979026441.db2.gz SFXPZVOZNYIJSI-WOJBJXKFSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000432962712 979026443 /nfs/dbraw/zinc/02/64/43/979026443.db2.gz SFXPZVOZNYIJSI-WOJBJXKFSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000432962712 979026447 /nfs/dbraw/zinc/02/64/47/979026447.db2.gz SFXPZVOZNYIJSI-WOJBJXKFSA-N 2 2 411.384 3.671 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265163 979199854 /nfs/dbraw/zinc/19/98/54/979199854.db2.gz HCOFMMDUCRRBNC-CDHQVMDDSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265163 979199861 /nfs/dbraw/zinc/19/98/61/979199861.db2.gz HCOFMMDUCRRBNC-CDHQVMDDSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265163 979199864 /nfs/dbraw/zinc/19/98/64/979199864.db2.gz HCOFMMDUCRRBNC-CDHQVMDDSA-N 2 2 418.379 3.503 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000433265163 979199871 /nfs/dbraw/zinc/19/98/71/979199871.db2.gz HCOFMMDUCRRBNC-CDHQVMDDSA-N 2 2 418.379 3.503 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433935784 979694396 /nfs/dbraw/zinc/69/43/96/979694396.db2.gz YBRRSEWLOPVYJO-LJQANCHMSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433935784 979694397 /nfs/dbraw/zinc/69/43/97/979694397.db2.gz YBRRSEWLOPVYJO-LJQANCHMSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433993023 979741037 /nfs/dbraw/zinc/74/10/37/979741037.db2.gz GWZAZCHUPMWANB-WMZHIEFXSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433993023 979741041 /nfs/dbraw/zinc/74/10/41/979741041.db2.gz GWZAZCHUPMWANB-WMZHIEFXSA-N 2 2 408.546 3.676 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[NH+](C)C)cc1 ZINC000433995335 979743745 /nfs/dbraw/zinc/74/37/45/979743745.db2.gz XVVCVQPZZBPSRG-HSZRJFAPSA-N 2 2 423.605 3.974 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434104371 979856028 /nfs/dbraw/zinc/85/60/28/979856028.db2.gz PPZYKNUSSFOEKA-UHFFFAOYSA-N 2 2 409.578 3.760 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434104371 979856033 /nfs/dbraw/zinc/85/60/33/979856033.db2.gz PPZYKNUSSFOEKA-UHFFFAOYSA-N 2 2 409.578 3.760 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434259129 980023301 /nfs/dbraw/zinc/02/33/01/980023301.db2.gz FWRJFMSLBFQZFZ-QFIPXVFZSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434259129 980023307 /nfs/dbraw/zinc/02/33/07/980023307.db2.gz FWRJFMSLBFQZFZ-QFIPXVFZSA-N 2 2 421.589 3.773 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000434278141 980038392 /nfs/dbraw/zinc/03/83/92/980038392.db2.gz SRXUZVQQHUYZCH-UHFFFAOYSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434362745 980115921 /nfs/dbraw/zinc/11/59/21/980115921.db2.gz GAJSOIFYYDPMFJ-AZUAARDMSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000434362745 980115924 /nfs/dbraw/zinc/11/59/24/980115924.db2.gz GAJSOIFYYDPMFJ-AZUAARDMSA-N 2 2 413.610 3.761 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532191 980233431 /nfs/dbraw/zinc/23/34/31/980233431.db2.gz WJMSBDPDFWLKIR-WMQCIHAUSA-N 2 2 416.614 3.791 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532191 980233435 /nfs/dbraw/zinc/23/34/35/980233435.db2.gz WJMSBDPDFWLKIR-WMQCIHAUSA-N 2 2 416.614 3.791 20 0 HHADLP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434683464 980337077 /nfs/dbraw/zinc/33/70/77/980337077.db2.gz CVSTXMDFWFPKSS-DEOSSOPVSA-N 2 2 422.573 3.675 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1nc2ccccc2s1 ZINC000434691979 980343504 /nfs/dbraw/zinc/34/35/04/980343504.db2.gz VEWPQPQWXBYRQT-UHFFFAOYSA-N 2 2 409.559 3.672 20 0 HHADLP COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000434750007 980377959 /nfs/dbraw/zinc/37/79/59/980377959.db2.gz UCZHLNYNESLTCY-SFHVURJKSA-N 2 2 412.578 3.907 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000435129139 980660682 /nfs/dbraw/zinc/66/06/82/980660682.db2.gz IACKFKLVNKCWTD-HXUWFJFHSA-N 2 2 424.614 3.974 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000435129139 980660685 /nfs/dbraw/zinc/66/06/85/980660685.db2.gz IACKFKLVNKCWTD-HXUWFJFHSA-N 2 2 424.614 3.974 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)CC1 ZINC000435581331 980949390 /nfs/dbraw/zinc/94/93/90/980949390.db2.gz YFMZPWZAESTBSY-NRFANRHFSA-N 2 2 413.606 3.563 20 0 HHADLP C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000435929946 981098007 /nfs/dbraw/zinc/09/80/07/981098007.db2.gz UYCYIMRJJOZTTC-UHFFFAOYSA-N 2 2 403.530 3.619 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047602 981178256 /nfs/dbraw/zinc/17/82/56/981178256.db2.gz IOSKWHPJVBMDML-XZOQPEGZSA-N 2 2 413.606 3.982 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047602 981178258 /nfs/dbraw/zinc/17/82/58/981178258.db2.gz IOSKWHPJVBMDML-XZOQPEGZSA-N 2 2 413.606 3.982 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600193 981468001 /nfs/dbraw/zinc/46/80/01/981468001.db2.gz DPBAXKALNGVUOA-FGZHOGPDSA-N 2 2 401.595 3.925 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600193 981468003 /nfs/dbraw/zinc/46/80/03/981468003.db2.gz DPBAXKALNGVUOA-FGZHOGPDSA-N 2 2 401.595 3.925 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000448372253 981730965 /nfs/dbraw/zinc/73/09/65/981730965.db2.gz CBPXNMRZTBPFCP-PCCBWWKXSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000448372253 981730970 /nfs/dbraw/zinc/73/09/70/981730970.db2.gz CBPXNMRZTBPFCP-PCCBWWKXSA-N 2 2 416.610 3.785 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460336227 982108448 /nfs/dbraw/zinc/10/84/48/982108448.db2.gz BIWORIZDXLBGCE-XZOQPEGZSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460336227 982108454 /nfs/dbraw/zinc/10/84/54/982108454.db2.gz BIWORIZDXLBGCE-XZOQPEGZSA-N 2 2 415.541 3.536 20 0 HHADLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cc1ccccc1 ZINC000437622409 982242833 /nfs/dbraw/zinc/24/28/33/982242833.db2.gz CXRANANCNZYDEH-UHFFFAOYSA-N 2 2 424.589 3.776 20 0 HHADLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cc1ccccc1 ZINC000437622409 982242843 /nfs/dbraw/zinc/24/28/43/982242843.db2.gz CXRANANCNZYDEH-UHFFFAOYSA-N 2 2 424.589 3.776 20 0 HHADLP CC(C)c1ccc(OCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460489833 982279316 /nfs/dbraw/zinc/27/93/16/982279316.db2.gz PMGWWBOAMMCMHR-UHFFFAOYSA-N 2 2 401.595 3.645 20 0 HHADLP Cc1ccc(-c2nc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cs2)cc1 ZINC000460499876 982288503 /nfs/dbraw/zinc/28/85/03/982288503.db2.gz PCVRZGXPSLIEBX-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000460500274 982289507 /nfs/dbraw/zinc/28/95/07/982289507.db2.gz CHCVEHPFCYQJFJ-OAQYLSRUSA-N 2 2 415.622 3.952 20 0 HHADLP C[NH+]1CCC(CNC(=O)COc2ccccc2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460500930 982289757 /nfs/dbraw/zinc/28/97/57/982289757.db2.gz DBQZMHXDGGJZOK-UHFFFAOYSA-N 2 2 421.585 3.799 20 0 HHADLP CC[C@H](C)c1ccccc1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460505374 982294293 /nfs/dbraw/zinc/29/42/93/982294293.db2.gz WFOCXHPJQRHWQX-FQEVSTJZSA-N 2 2 401.595 3.645 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1Cl ZINC000437702832 982306937 /nfs/dbraw/zinc/30/69/37/982306937.db2.gz NSBAUOYVRKNCFJ-HXUWFJFHSA-N 2 2 405.974 3.960 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000438074081 982572926 /nfs/dbraw/zinc/57/29/26/982572926.db2.gz MNWWBNNLWMAMFJ-UHFFFAOYSA-N 2 2 415.582 3.906 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000438074081 982572933 /nfs/dbraw/zinc/57/29/33/982572933.db2.gz MNWWBNNLWMAMFJ-UHFFFAOYSA-N 2 2 415.582 3.906 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947625 982682878 /nfs/dbraw/zinc/68/28/78/982682878.db2.gz SGJPYNOBWDAYGP-UXHICEINSA-N 2 2 410.389 3.772 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2OCC2CC2)([NH+]2CCCCC2)CC1 ZINC000438256705 982684879 /nfs/dbraw/zinc/68/48/79/982684879.db2.gz JCBRLOXDIHQBLE-UHFFFAOYSA-N 2 2 400.567 3.547 20 0 HHADLP COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000438323207 982723556 /nfs/dbraw/zinc/72/35/56/982723556.db2.gz POJUVEGKZKZCDZ-JOCHJYFZSA-N 2 2 400.950 3.926 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000438348375 982737012 /nfs/dbraw/zinc/73/70/12/982737012.db2.gz KAZPHTPWURARNC-QFIPXVFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000438348375 982737018 /nfs/dbraw/zinc/73/70/18/982737018.db2.gz KAZPHTPWURARNC-QFIPXVFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000438348375 982737024 /nfs/dbraw/zinc/73/70/24/982737024.db2.gz KAZPHTPWURARNC-QFIPXVFZSA-N 2 2 407.558 3.888 20 0 HHADLP CC(C)C[NH+]1Cc2cccc(NC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000438348375 982737027 /nfs/dbraw/zinc/73/70/27/982737027.db2.gz KAZPHTPWURARNC-QFIPXVFZSA-N 2 2 407.558 3.888 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccnc(Oc3ccccc3)c2)([NH+]2CCCCC2)CC1 ZINC000438510214 982850265 /nfs/dbraw/zinc/85/02/65/982850265.db2.gz ZVLNXFNHWPNXRM-UHFFFAOYSA-N 2 2 423.561 3.946 20 0 HHADLP C[C@H](c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1)[NH+]1CCOCC1 ZINC000438670565 982989210 /nfs/dbraw/zinc/98/92/10/982989210.db2.gz WRHQPWGXKADLND-GOSISDBHSA-N 2 2 416.591 3.737 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)([NH+]2CCCCC2)CC1 ZINC000461290144 982990337 /nfs/dbraw/zinc/99/03/37/982990337.db2.gz DFNRWKKRWRHJAE-UHFFFAOYSA-N 2 2 408.590 3.727 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461421972 983085126 /nfs/dbraw/zinc/08/51/26/983085126.db2.gz RZYDACXZHXCSBR-SFHVURJKSA-N 2 2 405.901 3.701 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461421972 983085133 /nfs/dbraw/zinc/08/51/33/983085133.db2.gz RZYDACXZHXCSBR-SFHVURJKSA-N 2 2 405.901 3.701 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422162 983085759 /nfs/dbraw/zinc/08/57/59/983085759.db2.gz DSHYXDUFEBQMAA-RBUKOAKNSA-N 2 2 424.495 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422162 983085764 /nfs/dbraw/zinc/08/57/64/983085764.db2.gz DSHYXDUFEBQMAA-RBUKOAKNSA-N 2 2 424.495 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461422161 983085862 /nfs/dbraw/zinc/08/58/62/983085862.db2.gz DSHYXDUFEBQMAA-OALUTQOASA-N 2 2 424.495 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461422161 983085869 /nfs/dbraw/zinc/08/58/69/983085869.db2.gz DSHYXDUFEBQMAA-OALUTQOASA-N 2 2 424.495 3.603 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451810 983117387 /nfs/dbraw/zinc/11/73/87/983117387.db2.gz TVJLIYYADXNOPH-BJKOFHAPSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451810 983117390 /nfs/dbraw/zinc/11/73/90/983117390.db2.gz TVJLIYYADXNOPH-BJKOFHAPSA-N 2 2 400.526 3.526 20 0 HHADLP O[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000439140115 983269592 /nfs/dbraw/zinc/26/95/92/983269592.db2.gz YURGKYMEJIGNMT-XLIONFOSSA-N 2 2 421.404 3.971 20 0 HHADLP O[C@H](C[NH2+][C@H](c1ccc(Br)s1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000439140115 983269598 /nfs/dbraw/zinc/26/95/98/983269598.db2.gz YURGKYMEJIGNMT-XLIONFOSSA-N 2 2 421.404 3.971 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(C)c1 ZINC000440805465 983914294 /nfs/dbraw/zinc/91/42/94/983914294.db2.gz PMBHOAKGAZRPEF-HSZRJFAPSA-N 2 2 423.536 3.941 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C)c1 ZINC000440810365 983916639 /nfs/dbraw/zinc/91/66/39/983916639.db2.gz PEZYJZGIGJICQL-VXKWHMMOSA-N 2 2 421.545 3.971 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000440816374 983919417 /nfs/dbraw/zinc/91/94/17/983919417.db2.gz YKDMELHIYOXYKI-QHCPKHFHSA-N 2 2 405.546 3.802 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C)c1 ZINC000440881685 983950060 /nfs/dbraw/zinc/95/00/60/983950060.db2.gz VBWUAFLCLQWLSH-PKTZIBPZSA-N 2 2 423.536 3.982 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298646 984164725 /nfs/dbraw/zinc/16/47/25/984164725.db2.gz WIYCQBQGSDTRSR-VXKWHMMOSA-N 2 2 413.562 3.851 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298646 984164728 /nfs/dbraw/zinc/16/47/28/984164728.db2.gz WIYCQBQGSDTRSR-VXKWHMMOSA-N 2 2 413.562 3.851 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000441374996 984217325 /nfs/dbraw/zinc/21/73/25/984217325.db2.gz HEOJYWYRNRRCEO-XXBNENTESA-N 2 2 408.521 3.717 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c(C)c1 ZINC000441382178 984221542 /nfs/dbraw/zinc/22/15/42/984221542.db2.gz IYLCKBULSKVMNV-RTWAWAEBSA-N 2 2 410.468 3.915 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 ZINC000441384381 984222816 /nfs/dbraw/zinc/22/28/16/984222816.db2.gz XVJLADODBZYYOP-GBXCKJPGSA-N 2 2 402.542 3.804 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 ZINC000441384384 984223069 /nfs/dbraw/zinc/22/30/69/984223069.db2.gz XVJLADODBZYYOP-YKSBVNFPSA-N 2 2 402.542 3.804 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(C)c1 ZINC000442248044 984769832 /nfs/dbraw/zinc/76/98/32/984769832.db2.gz XYZLTLAPXHROIE-FYYLOGMGSA-N 2 2 409.578 3.901 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462196322 985178930 /nfs/dbraw/zinc/17/89/30/985178930.db2.gz PLUYGUNKOMSGOO-UPVQGACJSA-N 2 2 412.622 3.804 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000443050792 985354117 /nfs/dbraw/zinc/35/41/17/985354117.db2.gz QMIVOPSFNHJAND-TZBSWOFLSA-N 2 2 406.574 3.504 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000443050792 985354130 /nfs/dbraw/zinc/35/41/30/985354130.db2.gz QMIVOPSFNHJAND-TZBSWOFLSA-N 2 2 406.574 3.504 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1c1ccc(F)c(F)c1 ZINC000462585921 985531498 /nfs/dbraw/zinc/53/14/98/985531498.db2.gz BMRGPMAPHJBCCM-FPOVZHCZSA-N 2 2 418.488 3.502 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1c1ccc(F)c(F)c1 ZINC000462585921 985531510 /nfs/dbraw/zinc/53/15/10/985531510.db2.gz BMRGPMAPHJBCCM-FPOVZHCZSA-N 2 2 418.488 3.502 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000462741600 985683297 /nfs/dbraw/zinc/68/32/97/985683297.db2.gz FTBGXFXPWJSZJC-XZOQPEGZSA-N 2 2 423.605 3.687 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000462741600 985683302 /nfs/dbraw/zinc/68/33/02/985683302.db2.gz FTBGXFXPWJSZJC-XZOQPEGZSA-N 2 2 423.605 3.687 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000462743334 985685374 /nfs/dbraw/zinc/68/53/74/985685374.db2.gz JXMALKOFNPHMLX-YMPZKCBVSA-N 2 2 409.578 3.778 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000462743334 985685383 /nfs/dbraw/zinc/68/53/83/985685383.db2.gz JXMALKOFNPHMLX-YMPZKCBVSA-N 2 2 409.578 3.778 20 0 HHADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000443570269 985745508 /nfs/dbraw/zinc/74/55/08/985745508.db2.gz ZWVJXMSXHITJNE-ROUUACIJSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000443570269 985745513 /nfs/dbraw/zinc/74/55/13/985745513.db2.gz ZWVJXMSXHITJNE-ROUUACIJSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000443570269 985745525 /nfs/dbraw/zinc/74/55/25/985745525.db2.gz ZWVJXMSXHITJNE-ROUUACIJSA-N 2 2 419.013 3.650 20 0 HHADLP C[C@H](NC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000443570269 985745530 /nfs/dbraw/zinc/74/55/30/985745530.db2.gz ZWVJXMSXHITJNE-ROUUACIJSA-N 2 2 419.013 3.650 20 0 HHADLP Cc1cc(Br)cn2c(CNc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)c[nH+]c12 ZINC000462851975 985776186 /nfs/dbraw/zinc/77/61/86/985776186.db2.gz CICRFTONOUQNPS-IBGZPJMESA-N 2 2 415.335 3.584 20 0 HHADLP Cc1cc(Br)cn2c(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)c[nH+]c12 ZINC000462851975 985776197 /nfs/dbraw/zinc/77/61/97/985776197.db2.gz CICRFTONOUQNPS-IBGZPJMESA-N 2 2 415.335 3.584 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463113183 986076090 /nfs/dbraw/zinc/07/60/90/986076090.db2.gz AAIIFKQROIKMII-NRFANRHFSA-N 3 2 424.608 3.935 20 0 HHADLP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463113183 986076097 /nfs/dbraw/zinc/07/60/97/986076097.db2.gz AAIIFKQROIKMII-NRFANRHFSA-N 2 2 424.608 3.935 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000463146795 986116751 /nfs/dbraw/zinc/11/67/51/986116751.db2.gz UCUQNSITBVTMCI-UHFFFAOYSA-N 2 2 405.627 3.784 20 0 HHADLP Cc1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000463232393 986199922 /nfs/dbraw/zinc/19/99/22/986199922.db2.gz FQSBSXOUDQOSIF-CWAQXLGLSA-N 3 2 405.590 3.847 20 0 HHADLP Cc1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000463232393 986199925 /nfs/dbraw/zinc/19/99/25/986199925.db2.gz FQSBSXOUDQOSIF-CWAQXLGLSA-N 3 2 405.590 3.847 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000468551599 986257844 /nfs/dbraw/zinc/25/78/44/986257844.db2.gz DXQFASCEIWUYMQ-AWEZNQCLSA-N 2 2 401.364 3.998 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000444207716 986388554 /nfs/dbraw/zinc/38/85/54/986388554.db2.gz WDUIFFKFJMZFST-JOCHJYFZSA-N 2 2 409.578 3.885 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000444208022 986389728 /nfs/dbraw/zinc/38/97/28/986389728.db2.gz XCFGQVFBXLEXHC-QFIPXVFZSA-N 2 2 409.578 3.741 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211360 986393014 /nfs/dbraw/zinc/39/30/14/986393014.db2.gz JVVQYDAZBXKKKR-QPPBQGQZSA-N 2 2 413.606 3.947 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211360 986393033 /nfs/dbraw/zinc/39/30/33/986393033.db2.gz JVVQYDAZBXKKKR-QPPBQGQZSA-N 2 2 413.606 3.947 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211361 986393188 /nfs/dbraw/zinc/39/31/88/986393188.db2.gz JVVQYDAZBXKKKR-URXFXBBRSA-N 2 2 413.606 3.947 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211361 986393193 /nfs/dbraw/zinc/39/31/93/986393193.db2.gz JVVQYDAZBXKKKR-URXFXBBRSA-N 2 2 413.606 3.947 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463444712 986424691 /nfs/dbraw/zinc/42/46/91/986424691.db2.gz AVJBKTGLLGKMMA-SANMLTNESA-N 2 2 407.602 3.516 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000463444712 986424693 /nfs/dbraw/zinc/42/46/93/986424693.db2.gz AVJBKTGLLGKMMA-SANMLTNESA-N 2 2 407.602 3.516 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1csc(Cl)c1 ZINC000468762721 986476716 /nfs/dbraw/zinc/47/67/16/986476716.db2.gz APUORKZMLVDYDQ-HNNXBMFYSA-N 2 2 407.967 3.913 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000468771529 986483884 /nfs/dbraw/zinc/48/38/84/986483884.db2.gz BAXSGQIKFYQZPQ-IAGOWNOFSA-N 2 2 406.933 3.967 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000468771534 986484103 /nfs/dbraw/zinc/48/41/03/986484103.db2.gz BAXSGQIKFYQZPQ-IRXDYDNUSA-N 2 2 406.933 3.967 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000468961960 986665224 /nfs/dbraw/zinc/66/52/24/986665224.db2.gz NMZJVAAIQNYCSP-QHCPKHFHSA-N 2 2 408.546 3.821 20 0 HHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000463689479 986672129 /nfs/dbraw/zinc/67/21/29/986672129.db2.gz OHJKTVWIADXFHW-GOSISDBHSA-N 2 2 423.561 3.509 20 0 HHADLP C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000468991400 986697043 /nfs/dbraw/zinc/69/70/43/986697043.db2.gz LJDBUTXXUMLHHW-AOMKIAJQSA-N 2 2 410.468 3.992 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000468991688 986697933 /nfs/dbraw/zinc/69/79/33/986697933.db2.gz LJDBUTXXUMLHHW-KSFYIVLOSA-N 2 2 410.468 3.992 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469072759 986785011 /nfs/dbraw/zinc/78/50/11/986785011.db2.gz VXSXHLNVPWROBJ-XXBNENTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469072759 986785021 /nfs/dbraw/zinc/78/50/21/986785021.db2.gz VXSXHLNVPWROBJ-XXBNENTESA-N 2 2 408.546 3.819 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000444790215 986945171 /nfs/dbraw/zinc/94/51/71/986945171.db2.gz HNJXMFRFSDDYNZ-LADGPHEKSA-N 2 2 414.553 3.774 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000444790215 986945177 /nfs/dbraw/zinc/94/51/77/986945177.db2.gz HNJXMFRFSDDYNZ-LADGPHEKSA-N 2 2 414.553 3.774 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000469233577 986953940 /nfs/dbraw/zinc/95/39/40/986953940.db2.gz OEZVOEKJEZTLPK-QHCPKHFHSA-N 2 2 408.546 3.676 20 0 HHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444800286 986955454 /nfs/dbraw/zinc/95/54/54/986955454.db2.gz UNZRLZBQPCBSNA-UGKGYDQZSA-N 2 2 404.514 3.988 20 0 HHADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000444800286 986955464 /nfs/dbraw/zinc/95/54/64/986955464.db2.gz UNZRLZBQPCBSNA-UGKGYDQZSA-N 2 2 404.514 3.988 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000469290980 987007295 /nfs/dbraw/zinc/00/72/95/987007295.db2.gz YXSJQSOYCIPYHL-DFQSSKMNSA-N 2 2 404.601 3.542 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000469290980 987007306 /nfs/dbraw/zinc/00/73/06/987007306.db2.gz YXSJQSOYCIPYHL-DFQSSKMNSA-N 2 2 404.601 3.542 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000469291013 987007841 /nfs/dbraw/zinc/00/78/41/987007841.db2.gz YXSJQSOYCIPYHL-YSIASYRMSA-N 2 2 404.601 3.542 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000469291013 987007852 /nfs/dbraw/zinc/00/78/52/987007852.db2.gz YXSJQSOYCIPYHL-YSIASYRMSA-N 2 2 404.601 3.542 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367107 987064365 /nfs/dbraw/zinc/06/43/65/987064365.db2.gz JKVZYQIGWXERQP-GOTSBHOMSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367107 987064374 /nfs/dbraw/zinc/06/43/74/987064374.db2.gz JKVZYQIGWXERQP-GOTSBHOMSA-N 2 2 412.578 3.586 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606712 987269873 /nfs/dbraw/zinc/26/98/73/987269873.db2.gz JDEZRXWJYQFGPG-CVDCTZTESA-N 2 2 419.560 3.900 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606712 987269879 /nfs/dbraw/zinc/26/98/79/987269879.db2.gz JDEZRXWJYQFGPG-CVDCTZTESA-N 2 2 419.560 3.900 20 0 HHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)CC1 ZINC000469782235 987428605 /nfs/dbraw/zinc/42/86/05/987428605.db2.gz YTCSCBVAXVWCCA-UHFFFAOYSA-N 2 2 414.819 3.952 20 0 HHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000469789344 987434497 /nfs/dbraw/zinc/43/44/97/987434497.db2.gz FAEVXWULHBFVJW-APWZRJJASA-N 2 2 400.592 3.815 20 0 HHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000469789344 987434500 /nfs/dbraw/zinc/43/45/00/987434500.db2.gz FAEVXWULHBFVJW-APWZRJJASA-N 2 2 400.592 3.815 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469839149 987474230 /nfs/dbraw/zinc/47/42/30/987474230.db2.gz SCTKKTWVFNBMHN-SFTDATJTSA-N 2 2 414.937 3.735 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000469865990 987503264 /nfs/dbraw/zinc/50/32/64/987503264.db2.gz WZEJVQFULNHJCP-NZQKXSOJSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(OC)c1 ZINC000469867953 987505316 /nfs/dbraw/zinc/50/53/16/987505316.db2.gz ZHVSSYNJMHNWBN-STZQEDGTSA-N 2 2 413.566 3.567 20 0 HHADLP Ic1cccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000469899324 987534755 /nfs/dbraw/zinc/53/47/55/987534755.db2.gz RNQIHZVGTHLKPY-AWEZNQCLSA-N 2 2 411.287 3.663 20 0 HHADLP Ic1cccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000469899324 987534758 /nfs/dbraw/zinc/53/47/58/987534758.db2.gz RNQIHZVGTHLKPY-AWEZNQCLSA-N 2 2 411.287 3.663 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000445815250 987876504 /nfs/dbraw/zinc/87/65/04/987876504.db2.gz IJBJKAMXQFYGDW-RUZDIDTESA-N 2 2 406.574 3.590 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464083808 988204277 /nfs/dbraw/zinc/20/42/77/988204277.db2.gz WNMUHBSEMUUJQQ-YADHBBJMSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464083808 988204287 /nfs/dbraw/zinc/20/42/87/988204287.db2.gz WNMUHBSEMUUJQQ-YADHBBJMSA-N 2 2 413.610 3.761 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438726 988410234 /nfs/dbraw/zinc/41/02/34/988410234.db2.gz QDUNKIFWJZALSO-SQNIBIBYSA-N 2 2 406.537 3.552 20 0 HHADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000470438726 988410235 /nfs/dbraw/zinc/41/02/35/988410235.db2.gz QDUNKIFWJZALSO-SQNIBIBYSA-N 2 2 406.537 3.552 20 0 HHADLP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000470771973 988818259 /nfs/dbraw/zinc/81/82/59/988818259.db2.gz IJFGBUIJIPEFMX-SANMLTNESA-N 2 2 403.570 3.777 20 0 HHADLP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000470771973 988818265 /nfs/dbraw/zinc/81/82/65/988818265.db2.gz IJFGBUIJIPEFMX-SANMLTNESA-N 2 2 403.570 3.777 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000470889147 988961121 /nfs/dbraw/zinc/96/11/21/988961121.db2.gz PDKHEJRTLTUHPZ-QHCPKHFHSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000470889147 988961130 /nfs/dbraw/zinc/96/11/30/988961130.db2.gz PDKHEJRTLTUHPZ-QHCPKHFHSA-N 2 2 421.589 3.665 20 0 HHADLP O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000464765237 988987950 /nfs/dbraw/zinc/98/79/50/988987950.db2.gz KOPXBHFEVHLJHP-UHFFFAOYSA-N 2 2 413.606 3.571 20 0 HHADLP O=C(C[N@H+]1CCCC2(C1)CCCCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000464765237 988987956 /nfs/dbraw/zinc/98/79/56/988987956.db2.gz KOPXBHFEVHLJHP-UHFFFAOYSA-N 2 2 413.606 3.571 20 0 HHADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832104 989072589 /nfs/dbraw/zinc/07/25/89/989072589.db2.gz BOHUZUHVRKHXDD-FPOVZHCZSA-N 2 2 410.562 3.749 20 0 HHADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832104 989072593 /nfs/dbraw/zinc/07/25/93/989072593.db2.gz BOHUZUHVRKHXDD-FPOVZHCZSA-N 2 2 410.562 3.749 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844620 989094077 /nfs/dbraw/zinc/09/40/77/989094077.db2.gz BPGGWNXJLZDXRU-IFMALSPDSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844620 989094087 /nfs/dbraw/zinc/09/40/87/989094087.db2.gz BPGGWNXJLZDXRU-IFMALSPDSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844620 989094092 /nfs/dbraw/zinc/09/40/92/989094092.db2.gz BPGGWNXJLZDXRU-IFMALSPDSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844620 989094098 /nfs/dbraw/zinc/09/40/98/989094098.db2.gz BPGGWNXJLZDXRU-IFMALSPDSA-N 2 2 418.585 3.669 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023150 989094510 /nfs/dbraw/zinc/09/45/10/989094510.db2.gz RGZQKBJDAJOABU-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023150 989094528 /nfs/dbraw/zinc/09/45/28/989094528.db2.gz RGZQKBJDAJOABU-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023150 989094542 /nfs/dbraw/zinc/09/45/42/989094542.db2.gz RGZQKBJDAJOABU-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000471023150 989094554 /nfs/dbraw/zinc/09/45/54/989094554.db2.gz RGZQKBJDAJOABU-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464849888 989102635 /nfs/dbraw/zinc/10/26/35/989102635.db2.gz ZOQSVUYOBBFHCK-IBGZPJMESA-N 2 2 423.479 3.624 20 0 HHADLP C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464849888 989102639 /nfs/dbraw/zinc/10/26/39/989102639.db2.gz ZOQSVUYOBBFHCK-IBGZPJMESA-N 2 2 423.479 3.624 20 0 HHADLP C[NH+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849888 989102641 /nfs/dbraw/zinc/10/26/41/989102641.db2.gz ZOQSVUYOBBFHCK-IBGZPJMESA-N 2 2 423.479 3.624 20 0 HHADLP C[NH+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464849888 989102645 /nfs/dbraw/zinc/10/26/45/989102645.db2.gz ZOQSVUYOBBFHCK-IBGZPJMESA-N 2 2 423.479 3.624 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098500 989195676 /nfs/dbraw/zinc/19/56/76/989195676.db2.gz FLWLQMMPTWXLNC-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098500 989195682 /nfs/dbraw/zinc/19/56/82/989195682.db2.gz FLWLQMMPTWXLNC-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH+](C)C ZINC000471235772 989382172 /nfs/dbraw/zinc/38/21/72/989382172.db2.gz UUTMDQLBALIHPX-XMMPIXPASA-N 2 2 408.590 3.529 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000465540377 989904102 /nfs/dbraw/zinc/90/41/02/989904102.db2.gz IJOFPYXVUQSPCS-UHFFFAOYSA-N 2 2 415.626 3.984 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000465540377 989904110 /nfs/dbraw/zinc/90/41/10/989904110.db2.gz IJOFPYXVUQSPCS-UHFFFAOYSA-N 2 2 415.626 3.984 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2csc3ccccc23)([NH+]2CCCCC2)CC1 ZINC000465553165 989915911 /nfs/dbraw/zinc/91/59/11/989915911.db2.gz ZZGUKLCKMXGHSK-UHFFFAOYSA-N 2 2 400.592 3.651 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465693049 990079148 /nfs/dbraw/zinc/07/91/48/990079148.db2.gz NKYKVBKLVWLYPL-QFIPXVFZSA-N 2 2 421.589 3.604 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465693049 990079173 /nfs/dbraw/zinc/07/91/73/990079173.db2.gz NKYKVBKLVWLYPL-QFIPXVFZSA-N 2 2 421.589 3.604 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465763027 990148758 /nfs/dbraw/zinc/14/87/58/990148758.db2.gz XQJUDWKHMCSBAU-GOTSBHOMSA-N 2 2 412.622 3.962 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869114 990981982 /nfs/dbraw/zinc/98/19/82/990981982.db2.gz DIYBSPCTYPQBRF-PXNSSMCTSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869114 990981988 /nfs/dbraw/zinc/98/19/88/990981988.db2.gz DIYBSPCTYPQBRF-PXNSSMCTSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869114 990981992 /nfs/dbraw/zinc/98/19/92/990981992.db2.gz DIYBSPCTYPQBRF-PXNSSMCTSA-N 2 2 424.992 3.817 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000465869114 990981999 /nfs/dbraw/zinc/98/19/99/990981999.db2.gz DIYBSPCTYPQBRF-PXNSSMCTSA-N 2 2 424.992 3.817 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000466016835 991183710 /nfs/dbraw/zinc/18/37/10/991183710.db2.gz BVHAIJUHHQEKPD-RXVVDRJESA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H]1c1cccs1 ZINC000466016835 991183715 /nfs/dbraw/zinc/18/37/15/991183715.db2.gz BVHAIJUHHQEKPD-RXVVDRJESA-N 2 2 409.559 3.816 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000466037182 991207971 /nfs/dbraw/zinc/20/79/71/991207971.db2.gz IJHKMLFKXZZHIQ-DLBZAZTESA-N 2 2 421.948 3.760 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000466037182 991207983 /nfs/dbraw/zinc/20/79/83/991207983.db2.gz IJHKMLFKXZZHIQ-DLBZAZTESA-N 2 2 421.948 3.760 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000466099153 991278397 /nfs/dbraw/zinc/27/83/97/991278397.db2.gz IRMCJOGUYNVNEQ-FXAWDEMLSA-N 2 2 401.580 3.718 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1cccs1 ZINC000466099153 991278403 /nfs/dbraw/zinc/27/84/03/991278403.db2.gz IRMCJOGUYNVNEQ-FXAWDEMLSA-N 2 2 401.580 3.718 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1cccs1 ZINC000466099154 991278425 /nfs/dbraw/zinc/27/84/25/991278425.db2.gz IRMCJOGUYNVNEQ-PXNSSMCTSA-N 2 2 401.580 3.718 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1cccs1 ZINC000466099154 991278434 /nfs/dbraw/zinc/27/84/34/991278434.db2.gz IRMCJOGUYNVNEQ-PXNSSMCTSA-N 2 2 401.580 3.718 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@H]2c2ccco2)([NH+]2CCCCC2)CC1 ZINC000466136434 991316246 /nfs/dbraw/zinc/31/62/46/991316246.db2.gz FEBSSTNPTCKBMD-FQEVSTJZSA-N 2 2 402.583 3.857 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(OCC3CC3)cc2)([NH+]2CCCCC2)CC1 ZINC000466139571 991321308 /nfs/dbraw/zinc/32/13/08/991321308.db2.gz BLSYDSGPUJSTJU-UHFFFAOYSA-N 2 2 400.567 3.547 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(Br)cc2)([NH+]2CCCCC2)CC1 ZINC000466150290 991334289 /nfs/dbraw/zinc/33/42/89/991334289.db2.gz YROUTPFILIWLLB-UHFFFAOYSA-N 2 2 409.372 3.521 20 0 HHADLP C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154088 991339005 /nfs/dbraw/zinc/33/90/05/991339005.db2.gz NPZSCMDOZAVZMX-PZJWPPBQSA-N 2 2 416.585 3.663 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000466893999 992213224 /nfs/dbraw/zinc/21/32/24/992213224.db2.gz MQUKDBFMCNLFDH-UHFFFAOYSA-N 2 2 413.528 3.759 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000466893999 992213236 /nfs/dbraw/zinc/21/32/36/992213236.db2.gz MQUKDBFMCNLFDH-UHFFFAOYSA-N 2 2 413.528 3.759 20 0 HHADLP CC[C@@H](Cc1ccccc1Br)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467114649 992427458 /nfs/dbraw/zinc/42/74/58/992427458.db2.gz ZBVYUWUKEFJERW-KRWDZBQOSA-N 2 2 424.427 3.502 20 0 HHADLP CC[C@@H](Cc1ccccc1Br)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467114649 992427462 /nfs/dbraw/zinc/42/74/62/992427462.db2.gz ZBVYUWUKEFJERW-KRWDZBQOSA-N 2 2 424.427 3.502 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000467156229 992474298 /nfs/dbraw/zinc/47/42/98/992474298.db2.gz YJYIIMKWXUAEFQ-QHCPKHFHSA-N 2 2 406.505 3.976 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000467157801 992475090 /nfs/dbraw/zinc/47/50/90/992475090.db2.gz JFZPUWGBIXFMGX-UHFFFAOYSA-N 2 2 416.591 3.571 20 0 HHADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269936 992591181 /nfs/dbraw/zinc/59/11/81/992591181.db2.gz WKLQHWLBLFMHEE-UHFFFAOYSA-N 2 2 413.400 3.907 20 0 HHADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467269936 992591191 /nfs/dbraw/zinc/59/11/91/992591191.db2.gz WKLQHWLBLFMHEE-UHFFFAOYSA-N 2 2 413.400 3.907 20 0 HHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274098 992595955 /nfs/dbraw/zinc/59/59/55/992595955.db2.gz VEOFUHSPIMAFJP-KRWDZBQOSA-N 2 2 413.400 3.905 20 0 HHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274098 992595961 /nfs/dbraw/zinc/59/59/61/992595961.db2.gz VEOFUHSPIMAFJP-KRWDZBQOSA-N 2 2 413.400 3.905 20 0 HHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274098 992595967 /nfs/dbraw/zinc/59/59/67/992595967.db2.gz VEOFUHSPIMAFJP-KRWDZBQOSA-N 2 2 413.400 3.905 20 0 HHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274098 992595974 /nfs/dbraw/zinc/59/59/74/992595974.db2.gz VEOFUHSPIMAFJP-KRWDZBQOSA-N 2 2 413.400 3.905 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccnn3-c3ccccc3)cc2)CC1 ZINC000467388602 992702238 /nfs/dbraw/zinc/70/22/38/992702238.db2.gz MJHGWWALYDUVER-NRFANRHFSA-N 2 2 403.574 3.861 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849986 993081573 /nfs/dbraw/zinc/08/15/73/993081573.db2.gz IDJRKBINUVOEAT-NBHGPNQESA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849986 993081576 /nfs/dbraw/zinc/08/15/76/993081576.db2.gz IDJRKBINUVOEAT-NBHGPNQESA-N 2 2 403.364 3.983 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000472366509 993363948 /nfs/dbraw/zinc/36/39/48/993363948.db2.gz RMKVGISVRSKAPV-VWFRCSCGSA-N 2 2 418.585 3.549 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000472366509 993363966 /nfs/dbraw/zinc/36/39/66/993363966.db2.gz RMKVGISVRSKAPV-VWFRCSCGSA-N 2 2 418.585 3.549 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000480794506 993663529 /nfs/dbraw/zinc/66/35/29/993663529.db2.gz SJVZZQPXSLNKSK-URXFXBBRSA-N 2 2 412.622 3.646 20 0 HHADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480824132 993700538 /nfs/dbraw/zinc/70/05/38/993700538.db2.gz HACKOAMSBIMZNN-QFIPXVFZSA-N 2 2 406.530 3.639 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000481028245 993872542 /nfs/dbraw/zinc/87/25/42/993872542.db2.gz YFGHQGNBNFCNQF-AVRDEDQJSA-N 2 2 407.624 3.506 20 0 HHADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H]1c1cccc(F)c1 ZINC000473012528 993935818 /nfs/dbraw/zinc/93/58/18/993935818.db2.gz YRLRFZLHDPHVQE-SIKLNZKXSA-N 2 2 416.585 3.869 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169093 994000221 /nfs/dbraw/zinc/00/02/21/994000221.db2.gz SAOJSABDBNPQOH-MTNREXPMSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169093 994000230 /nfs/dbraw/zinc/00/02/30/994000230.db2.gz SAOJSABDBNPQOH-MTNREXPMSA-N 2 2 403.615 3.572 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174376 994004869 /nfs/dbraw/zinc/00/48/69/994004869.db2.gz IZDYEGCRNAWWLV-IEBWSBKVSA-N 2 2 408.571 3.759 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174376 994004876 /nfs/dbraw/zinc/00/48/76/994004876.db2.gz IZDYEGCRNAWWLV-IEBWSBKVSA-N 2 2 408.571 3.759 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)cc1OC(F)F ZINC000481198184 994032061 /nfs/dbraw/zinc/03/20/61/994032061.db2.gz CKRKGVDRKVRFMQ-INIZCTEOSA-N 2 2 424.463 3.989 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)ccc1S(C)(=O)=O ZINC000481300772 994116283 /nfs/dbraw/zinc/11/62/83/994116283.db2.gz UZSWILOVQHIPSX-GOSISDBHSA-N 2 2 416.587 3.722 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308325 994125571 /nfs/dbraw/zinc/12/55/71/994125571.db2.gz PRZRHSMHHBYKKU-UUOWRZLLSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000481308325 994125581 /nfs/dbraw/zinc/12/55/81/994125581.db2.gz PRZRHSMHHBYKKU-UUOWRZLLSA-N 2 2 414.544 3.824 20 0 HHADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000481409145 994243732 /nfs/dbraw/zinc/24/37/32/994243732.db2.gz AJDBSQXWKZTQMP-LJQANCHMSA-N 2 2 401.576 3.584 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550193 994382841 /nfs/dbraw/zinc/38/28/41/994382841.db2.gz ZYVZLTQWYURWIY-ROUUACIJSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550193 994382851 /nfs/dbraw/zinc/38/28/51/994382851.db2.gz ZYVZLTQWYURWIY-ROUUACIJSA-N 2 2 423.536 3.786 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481641401 994506785 /nfs/dbraw/zinc/50/67/85/994506785.db2.gz VALRYSGUDDSXLY-OALUTQOASA-N 2 2 406.546 3.635 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481641401 994506796 /nfs/dbraw/zinc/50/67/96/994506796.db2.gz VALRYSGUDDSXLY-OALUTQOASA-N 2 2 406.546 3.635 20 0 HHADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000481677668 994537325 /nfs/dbraw/zinc/53/73/25/994537325.db2.gz LLMYZXGPTPURCP-DENIHFKCSA-N 2 2 421.589 3.684 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000473738635 994638027 /nfs/dbraw/zinc/63/80/27/994638027.db2.gz FDHOSBBBKQBWLQ-QGZVFWFLSA-N 2 2 416.541 3.882 20 0 HHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000473740841 994641691 /nfs/dbraw/zinc/64/16/91/994641691.db2.gz JLBUQFKELNYFQU-UHFFFAOYSA-N 2 2 409.578 3.735 20 0 HHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000473740841 994641699 /nfs/dbraw/zinc/64/16/99/994641699.db2.gz JLBUQFKELNYFQU-UHFFFAOYSA-N 2 2 409.578 3.735 20 0 HHADLP Cc1cc(Br)cc2c(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)coc21 ZINC000473767298 994684792 /nfs/dbraw/zinc/68/47/92/994684792.db2.gz RFKCGMLOFDRNQO-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1cc(Br)cc2c(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)coc21 ZINC000473767298 994684798 /nfs/dbraw/zinc/68/47/98/994684798.db2.gz RFKCGMLOFDRNQO-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473943772 994919275 /nfs/dbraw/zinc/91/92/75/994919275.db2.gz IAFOQCQKOXTOKP-DENIHFKCSA-N 2 2 409.578 3.629 20 0 HHADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473943772 994919288 /nfs/dbraw/zinc/91/92/88/994919288.db2.gz IAFOQCQKOXTOKP-DENIHFKCSA-N 2 2 409.578 3.629 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482014783 994923326 /nfs/dbraw/zinc/92/33/26/994923326.db2.gz FFZIFFKCGDMIKR-ZEQRLZLVSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482014783 994923338 /nfs/dbraw/zinc/92/33/38/994923338.db2.gz FFZIFFKCGDMIKR-ZEQRLZLVSA-N 2 2 416.525 3.648 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473951130 994928954 /nfs/dbraw/zinc/92/89/54/994928954.db2.gz RFUYSQPJKMNUIO-NZQKXSOJSA-N 2 2 421.589 3.917 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473951130 994928965 /nfs/dbraw/zinc/92/89/65/994928965.db2.gz RFUYSQPJKMNUIO-NZQKXSOJSA-N 2 2 421.589 3.917 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023453 994937281 /nfs/dbraw/zinc/93/72/81/994937281.db2.gz ACNJIZIBXAXEEU-DLBZAZTESA-N 2 2 414.377 3.739 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023453 994937287 /nfs/dbraw/zinc/93/72/87/994937287.db2.gz ACNJIZIBXAXEEU-DLBZAZTESA-N 2 2 414.377 3.739 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482023721 994937564 /nfs/dbraw/zinc/93/75/64/994937564.db2.gz BOYZOFUIULTYLT-QFBILLFUSA-N 2 2 400.592 3.712 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482023721 994937581 /nfs/dbraw/zinc/93/75/81/994937581.db2.gz BOYZOFUIULTYLT-QFBILLFUSA-N 2 2 400.592 3.712 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048952 994972483 /nfs/dbraw/zinc/97/24/83/994972483.db2.gz OQMWUMJWYKQZJE-QUCCMNQESA-N 2 2 412.603 3.720 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048952 994972495 /nfs/dbraw/zinc/97/24/95/994972495.db2.gz OQMWUMJWYKQZJE-QUCCMNQESA-N 2 2 412.603 3.720 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)CC[N@@H+]2C2CC2)c1 ZINC000482073781 995008959 /nfs/dbraw/zinc/00/89/59/995008959.db2.gz BKKNGZQZOWAHKS-RIEVBORMSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)CC[N@H+]2C2CC2)c1 ZINC000482073781 995008972 /nfs/dbraw/zinc/00/89/72/995008972.db2.gz BKKNGZQZOWAHKS-RIEVBORMSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073781 995008985 /nfs/dbraw/zinc/00/89/85/995008985.db2.gz BKKNGZQZOWAHKS-RIEVBORMSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073781 995008993 /nfs/dbraw/zinc/00/89/93/995008993.db2.gz BKKNGZQZOWAHKS-RIEVBORMSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)c1 ZINC000474209323 995205140 /nfs/dbraw/zinc/20/51/40/995205140.db2.gz IRUGKVPCTMDUDC-AVRDEDQJSA-N 2 2 410.562 3.600 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000482224010 995208730 /nfs/dbraw/zinc/20/87/30/995208730.db2.gz OUURBEBGPNNJTN-FCHUYYIVSA-N 2 2 412.530 3.591 20 0 HHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474308124 995295954 /nfs/dbraw/zinc/29/59/54/995295954.db2.gz FOMFOWBEQSXJGS-QFIPXVFZSA-N 2 2 413.562 3.978 20 0 HHADLP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474308124 995295967 /nfs/dbraw/zinc/29/59/67/995295967.db2.gz FOMFOWBEQSXJGS-QFIPXVFZSA-N 2 2 413.562 3.978 20 0 HHADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474585526 995545008 /nfs/dbraw/zinc/54/50/08/995545008.db2.gz JNQXDSHJBMVECO-NRFANRHFSA-N 2 2 419.529 3.700 20 0 HHADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474585526 995545017 /nfs/dbraw/zinc/54/50/17/995545017.db2.gz JNQXDSHJBMVECO-NRFANRHFSA-N 2 2 419.529 3.700 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474644040 995589256 /nfs/dbraw/zinc/58/92/56/995589256.db2.gz KKIYODUUQUVGKD-PPUKURFZSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474644040 995589271 /nfs/dbraw/zinc/58/92/71/995589271.db2.gz KKIYODUUQUVGKD-PPUKURFZSA-N 2 2 424.511 3.555 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc([S@](C)=O)cc1 ZINC000482627310 995622132 /nfs/dbraw/zinc/62/21/32/995622132.db2.gz GIMHNBAZPXNDSC-JMQGSBJISA-N 2 2 420.022 3.940 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2cncn2)cc1 ZINC000482628030 995622944 /nfs/dbraw/zinc/62/29/44/995622944.db2.gz IISUMBCBUJYGAO-LJQANCHMSA-N 2 2 424.980 3.784 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474728273 995663668 /nfs/dbraw/zinc/66/36/68/995663668.db2.gz MDBZOANAZJSSIG-OAHLLOKOSA-N 2 2 409.290 3.650 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)[NH+](C)C)cc1 ZINC000482689701 995681081 /nfs/dbraw/zinc/68/10/81/995681081.db2.gz GGLVXPRTLBCTNI-HSZRJFAPSA-N 2 2 423.605 3.851 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709810 995698419 /nfs/dbraw/zinc/69/84/19/995698419.db2.gz TVTUSVMANZISNF-NZQKXSOJSA-N 2 2 422.573 3.657 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995705006 /nfs/dbraw/zinc/70/50/06/995705006.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[N@H+]1CC[C@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995705015 /nfs/dbraw/zinc/70/50/15/995705015.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@H](NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995705022 /nfs/dbraw/zinc/70/50/22/995705022.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@H](NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718475 995705031 /nfs/dbraw/zinc/70/50/31/995705031.db2.gz DEJNONSBDYGESA-YADHBBJMSA-N 2 2 409.659 3.527 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000474780432 995706506 /nfs/dbraw/zinc/70/65/06/995706506.db2.gz LURLGHKKUMXAQP-WMZHIEFXSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc3ccccc3C1)C2 ZINC000474780432 995706513 /nfs/dbraw/zinc/70/65/13/995706513.db2.gz LURLGHKKUMXAQP-WMZHIEFXSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C(C)C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000474780432 995706519 /nfs/dbraw/zinc/70/65/19/995706519.db2.gz LURLGHKKUMXAQP-WMZHIEFXSA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc3ccccc3C1)CC2 ZINC000474780432 995706527 /nfs/dbraw/zinc/70/65/27/995706527.db2.gz LURLGHKKUMXAQP-WMZHIEFXSA-N 2 2 408.590 3.837 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973025 995837067 /nfs/dbraw/zinc/83/70/67/995837067.db2.gz MNOMRGQAWSEJLZ-KDOFPFPSSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973025 995837073 /nfs/dbraw/zinc/83/70/73/995837073.db2.gz MNOMRGQAWSEJLZ-KDOFPFPSSA-N 2 2 407.345 3.787 20 0 HHADLP COC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013086 995869794 /nfs/dbraw/zinc/86/97/94/995869794.db2.gz IHJFSFUHLFXFMI-SKCBXECTSA-N 2 2 422.658 3.560 20 0 HHADLP COC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013086 995869800 /nfs/dbraw/zinc/86/98/00/995869800.db2.gz IHJFSFUHLFXFMI-SKCBXECTSA-N 2 2 422.658 3.560 20 0 HHADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163963 995963850 /nfs/dbraw/zinc/96/38/50/995963850.db2.gz QZVNDPQERSJHLR-JOCHJYFZSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163963 995963855 /nfs/dbraw/zinc/96/38/55/995963855.db2.gz QZVNDPQERSJHLR-JOCHJYFZSA-N 2 2 403.530 3.678 20 0 HHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000483135761 995996638 /nfs/dbraw/zinc/99/66/38/995996638.db2.gz PUVNXPCJXIGZFS-QZTJIDSGSA-N 2 2 416.587 3.975 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C2 ZINC000475321442 996069018 /nfs/dbraw/zinc/06/90/18/996069018.db2.gz YUPUMRKKZZXYCA-QGZVFWFLSA-N 2 2 402.970 3.882 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)CC2 ZINC000475321442 996069025 /nfs/dbraw/zinc/06/90/25/996069025.db2.gz YUPUMRKKZZXYCA-QGZVFWFLSA-N 2 2 402.970 3.882 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475340287 996078738 /nfs/dbraw/zinc/07/87/38/996078738.db2.gz YTGBNGQVSFBMGS-TZYSRNFLSA-N 2 2 401.448 3.938 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000475368517 996094964 /nfs/dbraw/zinc/09/49/64/996094964.db2.gz LGYYIKZNXCMBSG-JOCHJYFZSA-N 2 2 412.484 3.885 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)([NH+]2CCCCC2)CC1 ZINC000483391467 996146843 /nfs/dbraw/zinc/14/68/43/996146843.db2.gz DQTTXOZFSOWDIV-UXHICEINSA-N 2 2 416.585 3.711 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000483479887 996206822 /nfs/dbraw/zinc/20/68/22/996206822.db2.gz FRGRLAAIFSMRBX-OALUTQOASA-N 2 2 414.594 3.824 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483521 996209797 /nfs/dbraw/zinc/20/97/97/996209797.db2.gz OBNYPPZPBUFIFD-VTZPFEBOSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483521 996209802 /nfs/dbraw/zinc/20/98/02/996209802.db2.gz OBNYPPZPBUFIFD-VTZPFEBOSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483521 996209807 /nfs/dbraw/zinc/20/98/07/996209807.db2.gz OBNYPPZPBUFIFD-VTZPFEBOSA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483521 996209813 /nfs/dbraw/zinc/20/98/13/996209813.db2.gz OBNYPPZPBUFIFD-VTZPFEBOSA-N 2 2 409.549 3.790 20 0 HHADLP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000483534090 996236912 /nfs/dbraw/zinc/23/69/12/996236912.db2.gz TZBKBLFPSZQFGL-UHFFFAOYSA-N 2 2 422.411 3.650 20 0 HHADLP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000483534090 996236916 /nfs/dbraw/zinc/23/69/16/996236916.db2.gz TZBKBLFPSZQFGL-UHFFFAOYSA-N 2 2 422.411 3.650 20 0 HHADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475618646 996252739 /nfs/dbraw/zinc/25/27/39/996252739.db2.gz CKOAVVPKCFSFJG-INIZCTEOSA-N 2 2 409.290 3.965 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483563788 996252968 /nfs/dbraw/zinc/25/29/68/996252968.db2.gz BEDQOQFDNVSCSZ-UPVQGACJSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483563788 996252972 /nfs/dbraw/zinc/25/29/72/996252972.db2.gz BEDQOQFDNVSCSZ-UPVQGACJSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000483812226 996403955 /nfs/dbraw/zinc/40/39/55/996403955.db2.gz YTATXBXFZAZUMD-SFHVURJKSA-N 2 2 420.548 3.635 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000483812226 996403956 /nfs/dbraw/zinc/40/39/56/996403956.db2.gz YTATXBXFZAZUMD-SFHVURJKSA-N 2 2 420.548 3.635 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000483825514 996411689 /nfs/dbraw/zinc/41/16/89/996411689.db2.gz XWCRYZQQWCVIKC-YVHKJVDXSA-N 2 2 405.945 3.525 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000483825514 996411692 /nfs/dbraw/zinc/41/16/92/996411692.db2.gz XWCRYZQQWCVIKC-YVHKJVDXSA-N 2 2 405.945 3.525 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H]1c1cnn(C)c1 ZINC000484007763 996518589 /nfs/dbraw/zinc/51/85/89/996518589.db2.gz NZPLCILSUXVTMQ-XUZZJYLKSA-N 2 2 406.578 3.819 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H]1c1cnn(C)c1 ZINC000484007763 996518594 /nfs/dbraw/zinc/51/85/94/996518594.db2.gz NZPLCILSUXVTMQ-XUZZJYLKSA-N 2 2 406.578 3.819 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H]1c1cnn(C)c1 ZINC000484007763 996518599 /nfs/dbraw/zinc/51/85/99/996518599.db2.gz NZPLCILSUXVTMQ-XUZZJYLKSA-N 2 2 406.578 3.819 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H]1c1cnn(C)c1 ZINC000484007763 996518604 /nfs/dbraw/zinc/51/86/04/996518604.db2.gz NZPLCILSUXVTMQ-XUZZJYLKSA-N 2 2 406.578 3.819 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484138552 996592673 /nfs/dbraw/zinc/59/26/73/996592673.db2.gz GZFXYMMBXHOGMY-BPUDTRNYSA-N 2 2 424.589 3.750 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484138552 996592689 /nfs/dbraw/zinc/59/26/89/996592689.db2.gz GZFXYMMBXHOGMY-BPUDTRNYSA-N 2 2 424.589 3.750 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000476139278 996628320 /nfs/dbraw/zinc/62/83/20/996628320.db2.gz HVKXDOMXFFTQCK-LHSJRXKWSA-N 2 2 418.513 3.884 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000476139278 996628327 /nfs/dbraw/zinc/62/83/27/996628327.db2.gz HVKXDOMXFFTQCK-LHSJRXKWSA-N 2 2 418.513 3.884 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000484276475 996674226 /nfs/dbraw/zinc/67/42/26/996674226.db2.gz PJYGBOVGPUIUDX-LVCYWYKZSA-N 2 2 416.587 3.802 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000484276475 996674227 /nfs/dbraw/zinc/67/42/27/996674227.db2.gz PJYGBOVGPUIUDX-LVCYWYKZSA-N 2 2 416.587 3.802 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476242569 996701113 /nfs/dbraw/zinc/70/11/13/996701113.db2.gz AUQLNMRVGQBUKD-QRWLVFNGSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476242569 996701116 /nfs/dbraw/zinc/70/11/16/996701116.db2.gz AUQLNMRVGQBUKD-QRWLVFNGSA-N 2 2 412.484 3.650 20 0 HHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476263543 996715073 /nfs/dbraw/zinc/71/50/73/996715073.db2.gz XPYKJPGURNWNHD-UHFFFAOYSA-N 2 2 420.426 3.746 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476473527 996951172 /nfs/dbraw/zinc/95/11/72/996951172.db2.gz URZUQJKGRBJZOJ-SFTDATJTSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476473527 996951181 /nfs/dbraw/zinc/95/11/81/996951181.db2.gz URZUQJKGRBJZOJ-SFTDATJTSA-N 2 2 401.526 3.981 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924532 997299728 /nfs/dbraw/zinc/29/97/28/997299728.db2.gz IFFUDXIHLNZNBS-ZEQRLZLVSA-N 2 2 407.558 3.785 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924532 997299740 /nfs/dbraw/zinc/29/97/40/997299740.db2.gz IFFUDXIHLNZNBS-ZEQRLZLVSA-N 2 2 407.558 3.785 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004024 997368489 /nfs/dbraw/zinc/36/84/89/997368489.db2.gz UKPDHVJJGHUASU-BNDYYXHWSA-N 2 2 402.583 3.632 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004024 997368497 /nfs/dbraw/zinc/36/84/97/997368497.db2.gz UKPDHVJJGHUASU-BNDYYXHWSA-N 2 2 402.583 3.632 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004024 997368506 /nfs/dbraw/zinc/36/85/06/997368506.db2.gz UKPDHVJJGHUASU-BNDYYXHWSA-N 2 2 402.583 3.632 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000485004024 997368515 /nfs/dbraw/zinc/36/85/15/997368515.db2.gz UKPDHVJJGHUASU-BNDYYXHWSA-N 2 2 402.583 3.632 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000476827306 997387465 /nfs/dbraw/zinc/38/74/65/997387465.db2.gz WARDHHFIXNYZQQ-AWEZNQCLSA-N 2 2 402.366 3.799 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000476829570 997389911 /nfs/dbraw/zinc/38/99/11/997389911.db2.gz ZIHBRILBWCIAJL-OAHLLOKOSA-N 2 2 401.473 3.511 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000476871794 997447451 /nfs/dbraw/zinc/44/74/51/997447451.db2.gz QWDXMDLKFHZKFW-QHCPKHFHSA-N 2 2 421.520 3.721 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000476871794 997447464 /nfs/dbraw/zinc/44/74/64/997447464.db2.gz QWDXMDLKFHZKFW-QHCPKHFHSA-N 2 2 421.520 3.721 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000476889195 997483589 /nfs/dbraw/zinc/48/35/89/997483589.db2.gz QZEYUPCMLWOYLS-HSZRJFAPSA-N 2 2 403.530 3.582 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000476889195 997483609 /nfs/dbraw/zinc/48/36/09/997483609.db2.gz QZEYUPCMLWOYLS-HSZRJFAPSA-N 2 2 403.530 3.582 20 0 HHADLP CCc1c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1C(CC)CC ZINC000485147564 997531144 /nfs/dbraw/zinc/53/11/44/997531144.db2.gz NZBWHVAFGFIAOQ-UHFFFAOYSA-N 2 2 418.630 3.878 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477248680 997922894 /nfs/dbraw/zinc/92/28/94/997922894.db2.gz LTEXQSNRHBUODI-LJQANCHMSA-N 2 2 424.992 3.959 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477248680 997922907 /nfs/dbraw/zinc/92/29/07/997922907.db2.gz LTEXQSNRHBUODI-LJQANCHMSA-N 2 2 424.992 3.959 20 0 HHADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266130 997942934 /nfs/dbraw/zinc/94/29/34/997942934.db2.gz NFMYVEKILCJCPD-LJQANCHMSA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266130 997942948 /nfs/dbraw/zinc/94/29/48/997942948.db2.gz NFMYVEKILCJCPD-LJQANCHMSA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266130 997942965 /nfs/dbraw/zinc/94/29/65/997942965.db2.gz NFMYVEKILCJCPD-LJQANCHMSA-N 2 2 410.965 3.569 20 0 HHADLP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477266130 997942980 /nfs/dbraw/zinc/94/29/80/997942980.db2.gz NFMYVEKILCJCPD-LJQANCHMSA-N 2 2 410.965 3.569 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339032 998027342 /nfs/dbraw/zinc/02/73/42/998027342.db2.gz FOBASSGUEOUKBY-RTWAWAEBSA-N 2 2 424.589 3.604 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000477339032 998027355 /nfs/dbraw/zinc/02/73/55/998027355.db2.gz FOBASSGUEOUKBY-RTWAWAEBSA-N 2 2 424.589 3.604 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485993689 998436645 /nfs/dbraw/zinc/43/66/45/998436645.db2.gz WKMQGLBEWBOLPS-YADHBBJMSA-N 2 2 403.530 3.530 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485993689 998436648 /nfs/dbraw/zinc/43/66/48/998436648.db2.gz WKMQGLBEWBOLPS-YADHBBJMSA-N 2 2 403.530 3.530 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485993688 998436824 /nfs/dbraw/zinc/43/68/24/998436824.db2.gz WKMQGLBEWBOLPS-VXKWHMMOSA-N 2 2 403.530 3.530 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485993688 998436828 /nfs/dbraw/zinc/43/68/28/998436828.db2.gz WKMQGLBEWBOLPS-VXKWHMMOSA-N 2 2 403.530 3.530 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999235 998443442 /nfs/dbraw/zinc/44/34/42/998443442.db2.gz DFNBGCSBNUXDDD-MQFRRQCYSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999235 998443446 /nfs/dbraw/zinc/44/34/46/998443446.db2.gz DFNBGCSBNUXDDD-MQFRRQCYSA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999238 998443527 /nfs/dbraw/zinc/44/35/27/998443527.db2.gz DFNBGCSBNUXDDD-PABCKOPISA-N 2 2 424.593 3.616 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000485999238 998443531 /nfs/dbraw/zinc/44/35/31/998443531.db2.gz DFNBGCSBNUXDDD-PABCKOPISA-N 2 2 424.593 3.616 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000486008970 998452655 /nfs/dbraw/zinc/45/26/55/998452655.db2.gz RHLCUMFLHLJYKJ-KCZVDYSFSA-N 2 2 423.605 3.541 20 0 HHADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5cccnc5)no4)C3)cc2)c[nH+]1 ZINC000486456137 998778085 /nfs/dbraw/zinc/77/80/85/998778085.db2.gz DHGCXWPYOATNTF-HYBUGGRVSA-N 2 2 412.497 3.871 20 0 HHADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5cccnc5)no4)C3)cc2)c[nH+]1 ZINC000486456137 998778090 /nfs/dbraw/zinc/77/80/90/998778090.db2.gz DHGCXWPYOATNTF-HYBUGGRVSA-N 2 2 412.497 3.871 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905191 999000334 /nfs/dbraw/zinc/00/03/34/999000334.db2.gz DQVWKPNIXRWQKQ-FCHUYYIVSA-N 2 2 418.557 3.829 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905191 999000338 /nfs/dbraw/zinc/00/03/38/999000338.db2.gz DQVWKPNIXRWQKQ-FCHUYYIVSA-N 2 2 418.557 3.829 20 0 HHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C/C=C\c3ccncc3)CC2)c1 ZINC000486929877 999010504 /nfs/dbraw/zinc/01/05/04/999010504.db2.gz PYOIRAXWXKKRJF-RQOWECAXSA-N 2 2 404.480 3.916 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487086941 999058798 /nfs/dbraw/zinc/05/87/98/999058798.db2.gz HZGHIUSDWWPEDC-RTWAWAEBSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487086941 999058800 /nfs/dbraw/zinc/05/88/00/999058800.db2.gz HZGHIUSDWWPEDC-RTWAWAEBSA-N 2 2 419.520 3.773 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3CCCc3ccccc3)CC2)CC1 ZINC000487659861 999245464 /nfs/dbraw/zinc/24/54/64/999245464.db2.gz CICCOGQMMMAHMI-DEOSSOPVSA-N 2 2 412.622 3.742 20 0 HHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479055352 999270640 /nfs/dbraw/zinc/27/06/40/999270640.db2.gz FGZZOLXXPSKPBT-GFCCVEGCSA-N 2 2 417.362 3.579 20 0 HHADLP Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000488006797 999345426 /nfs/dbraw/zinc/34/54/26/999345426.db2.gz HAHKSQMQSLACTG-UHFFFAOYSA-N 2 2 401.551 3.753 20 0 HHADLP Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000488006797 999345432 /nfs/dbraw/zinc/34/54/32/999345432.db2.gz HAHKSQMQSLACTG-UHFFFAOYSA-N 2 2 401.551 3.753 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479335951 999391337 /nfs/dbraw/zinc/39/13/37/999391337.db2.gz NRCWXBRDOSMNEG-LJQANCHMSA-N 2 2 415.603 3.574 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000479436513 999415840 /nfs/dbraw/zinc/41/58/40/999415840.db2.gz JQGYVUYJUTVYTN-AUSIDOKSSA-N 2 2 415.603 3.656 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000479436513 999415843 /nfs/dbraw/zinc/41/58/43/999415843.db2.gz JQGYVUYJUTVYTN-AUSIDOKSSA-N 2 2 415.603 3.656 20 0 HHADLP COC(=O)c1ccc(Cl)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000479754149 999573496 /nfs/dbraw/zinc/57/34/96/999573496.db2.gz MBCLQOJTCJPLON-UHFFFAOYSA-N 2 2 402.926 3.664 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830670 999615977 /nfs/dbraw/zinc/61/59/77/999615977.db2.gz LAMOVOSVCIRWDG-HBGVWJBISA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830670 999615978 /nfs/dbraw/zinc/61/59/78/999615978.db2.gz LAMOVOSVCIRWDG-HBGVWJBISA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830670 999615979 /nfs/dbraw/zinc/61/59/79/999615979.db2.gz LAMOVOSVCIRWDG-HBGVWJBISA-N 2 2 408.537 3.521 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000479830670 999615980 /nfs/dbraw/zinc/61/59/80/999615980.db2.gz LAMOVOSVCIRWDG-HBGVWJBISA-N 2 2 408.537 3.521 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCCn3cc[nH+]c3)s2)cc1OC ZINC000479854771 999626083 /nfs/dbraw/zinc/62/60/83/999626083.db2.gz WSAPBLXRKVTWBS-HNNXBMFYSA-N 2 2 400.548 3.997 20 0 HHADLP Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479889216 999637403 /nfs/dbraw/zinc/63/74/03/999637403.db2.gz UPRWKACHYMQXML-FQEVSTJZSA-N 2 2 417.347 3.895 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000489120150 999705142 /nfs/dbraw/zinc/70/51/42/999705142.db2.gz STDDAIDAPOKTJB-XJUOHMSHSA-N 2 2 419.529 3.841 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000489120148 999705272 /nfs/dbraw/zinc/70/52/72/999705272.db2.gz STDDAIDAPOKTJB-QZNHQXDQSA-N 2 2 419.529 3.841 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127501 999707125 /nfs/dbraw/zinc/70/71/25/999707125.db2.gz KWOSIOYHNADJGN-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127501 999707128 /nfs/dbraw/zinc/70/71/28/999707128.db2.gz KWOSIOYHNADJGN-BJKOFHAPSA-N 2 2 408.590 3.952 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144642 999711304 /nfs/dbraw/zinc/71/13/04/999711304.db2.gz ABCDHLSLZOYKFZ-YPAWHYETSA-N 2 2 413.606 3.521 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144642 999711307 /nfs/dbraw/zinc/71/13/07/999711307.db2.gz ABCDHLSLZOYKFZ-YPAWHYETSA-N 2 2 413.606 3.521 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147341 999711901 /nfs/dbraw/zinc/71/19/01/999711901.db2.gz KCGOLTUHLQBRGW-YADHBBJMSA-N 2 2 400.611 3.702 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147341 999711903 /nfs/dbraw/zinc/71/19/03/999711903.db2.gz KCGOLTUHLQBRGW-YADHBBJMSA-N 2 2 400.611 3.702 20 0 HHADLP Ic1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000480240253 999754215 /nfs/dbraw/zinc/75/42/15/999754215.db2.gz KCKKQRPTPWWULH-QGZVFWFLSA-N 2 2 412.315 3.721 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480286073 999762984 /nfs/dbraw/zinc/76/29/84/999762984.db2.gz ACXOPWNYOCUUSJ-LJQANCHMSA-N 2 2 403.530 3.626 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000489426679 999765003 /nfs/dbraw/zinc/76/50/03/999765003.db2.gz XUHSOORIGVSSMR-IBGZPJMESA-N 2 2 410.562 3.964 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000489426679 999765006 /nfs/dbraw/zinc/76/50/06/999765006.db2.gz XUHSOORIGVSSMR-IBGZPJMESA-N 2 2 410.562 3.964 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000480597491 999836789 /nfs/dbraw/zinc/83/67/89/999836789.db2.gz WMXADMGKERJGRV-CVDCTZTESA-N 2 2 405.546 3.730 20 0 HHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000480621433 999843093 /nfs/dbraw/zinc/84/30/93/999843093.db2.gz UKATYNJUPAAHAD-KRWDZBQOSA-N 2 2 417.500 3.835 20 0 HHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1SC ZINC000480635530 999847133 /nfs/dbraw/zinc/84/71/33/999847133.db2.gz ATHJVPIGBQMWBJ-KRWDZBQOSA-N 2 2 413.587 3.656 20 0 HHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)F ZINC000480638677 999848035 /nfs/dbraw/zinc/84/80/35/999848035.db2.gz ISMQQLLGFJMICA-FQEVSTJZSA-N 2 2 417.500 3.917 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844821 999848430 /nfs/dbraw/zinc/84/84/30/999848430.db2.gz VOGVCUQSKPACJB-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844821 999848432 /nfs/dbraw/zinc/84/84/32/999848432.db2.gz VOGVCUQSKPACJB-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000490110373 999894422 /nfs/dbraw/zinc/89/44/22/999894422.db2.gz BGYGPRGXDNMNGK-QFIPXVFZSA-N 2 2 401.501 3.738 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000490110373 999894424 /nfs/dbraw/zinc/89/44/24/999894424.db2.gz BGYGPRGXDNMNGK-QFIPXVFZSA-N 2 2 401.501 3.738 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)CC1 ZINC000490123723 999896420 /nfs/dbraw/zinc/89/64/20/999896420.db2.gz DQQDWSPOJVXRHY-VWLOTQADSA-N 2 2 421.564 3.576 20 0 HHADLP Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490546588 999975531 /nfs/dbraw/zinc/97/55/31/999975531.db2.gz PPSFRROFPUIDSY-SANMLTNESA-N 2 2 423.601 3.773 20 0 HHADLP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000490546588 999975532 /nfs/dbraw/zinc/97/55/32/999975532.db2.gz PPSFRROFPUIDSY-SANMLTNESA-N 2 2 423.601 3.773 20 0 HHADLP Cc1nc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676718 999992111 /nfs/dbraw/zinc/99/21/11/999992111.db2.gz XDKYUGCBGVJNHK-JXFKEZNVSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1nc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676718 999992112 /nfs/dbraw/zinc/99/21/12/999992112.db2.gz XDKYUGCBGVJNHK-JXFKEZNVSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)cn2c1 ZINC000490998593 1000032119 /nfs/dbraw/zinc/03/21/19/1000032119.db2.gz VKGATRJXDAWUNS-FQEVSTJZSA-N 2 2 414.619 3.991 20 0 HHADLP CSc1cccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491024265 1000035262 /nfs/dbraw/zinc/03/52/62/1000035262.db2.gz SNOSHRVPNJEENO-JOCHJYFZSA-N 2 2 419.541 3.530 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000491026934 1000035817 /nfs/dbraw/zinc/03/58/17/1000035817.db2.gz ZTWLUDVEEIULKY-HRAATJIYSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492017278 1000105036 /nfs/dbraw/zinc/10/50/36/1000105036.db2.gz AJKBEZHWBVZTEW-RTBURBONSA-N 2 2 418.545 3.605 20 0 HHADLP CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+](C)C)cc1 ZINC000492061875 1000107679 /nfs/dbraw/zinc/10/76/79/1000107679.db2.gz CSFBDBAKKABRGD-QFIPXVFZSA-N 2 2 420.561 3.949 20 0 HHADLP Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000492289194 1000120025 /nfs/dbraw/zinc/12/00/25/1000120025.db2.gz IGAQBXYBRUVAHI-HSZRJFAPSA-N 2 2 400.611 3.892 20 0 HHADLP Cc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493250049 1000165373 /nfs/dbraw/zinc/16/53/73/1000165373.db2.gz RPGWMHBKJFYYQI-HSZRJFAPSA-N 2 2 409.555 3.975 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC(F)F ZINC000494425728 1000486255 /nfs/dbraw/zinc/48/62/55/1000486255.db2.gz NDUURVWLZQWHCS-GFCCVEGCSA-N 2 2 416.266 3.750 20 0 HHADLP C[C@@]1(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000494431381 1000489345 /nfs/dbraw/zinc/48/93/45/1000489345.db2.gz OYLBYYIUFTZHSZ-SANMLTNESA-N 2 2 421.585 3.832 20 0 HHADLP C[C@@]1(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000494431381 1000489349 /nfs/dbraw/zinc/48/93/49/1000489349.db2.gz OYLBYYIUFTZHSZ-SANMLTNESA-N 2 2 421.585 3.832 20 0 HHADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145868 1000576674 /nfs/dbraw/zinc/57/66/74/1000576674.db2.gz OTDPIQCCICYTPC-LEWJYISDSA-N 2 2 424.564 3.977 20 0 HHADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145868 1000576678 /nfs/dbraw/zinc/57/66/78/1000576678.db2.gz OTDPIQCCICYTPC-LEWJYISDSA-N 2 2 424.564 3.977 20 0 HHADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151086 1000580062 /nfs/dbraw/zinc/58/00/62/1000580062.db2.gz NJFULKZOEVMSJO-FYYLOGMGSA-N 2 2 406.574 3.980 20 0 HHADLP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151086 1000580068 /nfs/dbraw/zinc/58/00/68/1000580068.db2.gz NJFULKZOEVMSJO-FYYLOGMGSA-N 2 2 406.574 3.980 20 0 HHADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333517 1000708356 /nfs/dbraw/zinc/70/83/56/1000708356.db2.gz NUGKPJZWFUZDQX-XLIONFOSSA-N 2 2 422.411 3.776 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505333517 1000708362 /nfs/dbraw/zinc/70/83/62/1000708362.db2.gz NUGKPJZWFUZDQX-XLIONFOSSA-N 2 2 422.411 3.776 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000494997730 1000770055 /nfs/dbraw/zinc/77/00/55/1000770055.db2.gz NYQHCMDBWFUQGO-PGRDOPGGSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000494997730 1000770059 /nfs/dbraw/zinc/77/00/59/1000770059.db2.gz NYQHCMDBWFUQGO-PGRDOPGGSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCC(c1ccccc1)c1ccccc1 ZINC000495005355 1000774514 /nfs/dbraw/zinc/77/45/14/1000774514.db2.gz JDBWXDPWKUILKA-JOCHJYFZSA-N 2 2 402.542 3.928 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCC(c1ccccc1)c1ccccc1 ZINC000495005355 1000774517 /nfs/dbraw/zinc/77/45/17/1000774517.db2.gz JDBWXDPWKUILKA-JOCHJYFZSA-N 2 2 402.542 3.928 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126025 1000865054 /nfs/dbraw/zinc/86/50/54/1000865054.db2.gz FBHYFBPGLGDDKV-RADWXHQJSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126025 1000865098 /nfs/dbraw/zinc/86/50/98/1000865098.db2.gz FBHYFBPGLGDDKV-RADWXHQJSA-N 2 2 402.945 3.953 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000505527085 1000871986 /nfs/dbraw/zinc/87/19/86/1000871986.db2.gz RMTLMDRUECDBKB-HYBUGGRVSA-N 2 2 407.558 3.565 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000505527085 1000871994 /nfs/dbraw/zinc/87/19/94/1000871994.db2.gz RMTLMDRUECDBKB-HYBUGGRVSA-N 2 2 407.558 3.565 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)cc[nH+]1 ZINC000505590712 1000923939 /nfs/dbraw/zinc/92/39/39/1000923939.db2.gz JIZCGLCYHDEIQK-UZUQRXQVSA-N 2 2 403.530 3.818 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000495804072 1001078027 /nfs/dbraw/zinc/07/80/27/1001078027.db2.gz LACJRLNCUGPWAZ-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000495804072 1001078035 /nfs/dbraw/zinc/07/80/35/1001078035.db2.gz LACJRLNCUGPWAZ-UHFFFAOYSA-N 2 2 406.983 3.562 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495818376 1001080627 /nfs/dbraw/zinc/08/06/27/1001080627.db2.gz AWXDHQBVKBBTON-AWEZNQCLSA-N 2 2 418.434 3.958 20 0 HHADLP C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495818376 1001080635 /nfs/dbraw/zinc/08/06/35/1001080635.db2.gz AWXDHQBVKBBTON-AWEZNQCLSA-N 2 2 418.434 3.958 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000506356217 1001374830 /nfs/dbraw/zinc/37/48/30/1001374830.db2.gz MEQJBWCTPAUHSK-AABGKKOBSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000506356217 1001374838 /nfs/dbraw/zinc/37/48/38/1001374838.db2.gz MEQJBWCTPAUHSK-AABGKKOBSA-N 2 2 416.610 3.928 20 0 HHADLP COc1ccccc1-c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000497499746 1001404330 /nfs/dbraw/zinc/40/43/30/1001404330.db2.gz MTANNFYMKDKBGV-YOFSQIOKSA-N 2 2 412.603 3.562 20 0 HHADLP COc1ccccc1-c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000497499746 1001404334 /nfs/dbraw/zinc/40/43/34/1001404334.db2.gz MTANNFYMKDKBGV-YOFSQIOKSA-N 2 2 412.603 3.562 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000506466905 1001425852 /nfs/dbraw/zinc/42/58/52/1001425852.db2.gz OMWYFIXUWMCVAR-TXTKFYIRSA-N 2 2 406.574 3.702 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000506466905 1001425857 /nfs/dbraw/zinc/42/58/57/1001425857.db2.gz OMWYFIXUWMCVAR-TXTKFYIRSA-N 2 2 406.574 3.702 20 0 HHADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(OC)cc1 ZINC000506898000 1001585647 /nfs/dbraw/zinc/58/56/47/1001585647.db2.gz OWCSPPZQHSWUPX-UHFFFAOYSA-N 2 2 413.587 3.705 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(OC)cc1 ZINC000506898000 1001585650 /nfs/dbraw/zinc/58/56/50/1001585650.db2.gz OWCSPPZQHSWUPX-UHFFFAOYSA-N 2 2 413.587 3.705 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915092 1001591843 /nfs/dbraw/zinc/59/18/43/1001591843.db2.gz IKXFDKPKYFJQRO-REWPJTCUSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915092 1001591847 /nfs/dbraw/zinc/59/18/47/1001591847.db2.gz IKXFDKPKYFJQRO-REWPJTCUSA-N 2 2 409.578 3.727 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(F)c1 ZINC000507078574 1001795005 /nfs/dbraw/zinc/79/50/05/1001795005.db2.gz KZAJLPYXIRRZIQ-WIYYLYMNSA-N 2 2 413.541 3.550 20 0 HHADLP COc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1 ZINC000498415946 1001844807 /nfs/dbraw/zinc/84/48/07/1001844807.db2.gz UQZGNRZCNRZNJQ-UHFFFAOYSA-N 2 2 413.537 3.599 20 0 HHADLP COc1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1 ZINC000498415946 1001844817 /nfs/dbraw/zinc/84/48/17/1001844817.db2.gz UQZGNRZCNRZNJQ-UHFFFAOYSA-N 2 2 413.537 3.599 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507206529 1001893620 /nfs/dbraw/zinc/89/36/20/1001893620.db2.gz OSUHVKPUIWQBTL-HXUWFJFHSA-N 2 2 401.599 3.765 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000507289439 1001973575 /nfs/dbraw/zinc/97/35/75/1001973575.db2.gz LQTUMBVILIGRFL-HZPDHXFCSA-N 2 2 402.505 3.593 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000507289439 1001973578 /nfs/dbraw/zinc/97/35/78/1001973578.db2.gz LQTUMBVILIGRFL-HZPDHXFCSA-N 2 2 402.505 3.593 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000507318508 1001997908 /nfs/dbraw/zinc/99/79/08/1001997908.db2.gz MGLZCPCWABZYBJ-WIYYLYMNSA-N 2 2 413.541 3.550 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507464884 1002086643 /nfs/dbraw/zinc/08/66/43/1002086643.db2.gz CMNMACADGPTNRD-OHUMZHCVSA-N 2 2 406.574 3.838 20 0 HHADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507464884 1002086657 /nfs/dbraw/zinc/08/66/57/1002086657.db2.gz CMNMACADGPTNRD-OHUMZHCVSA-N 2 2 406.574 3.838 20 0 HHADLP Clc1cccc(-c2ccc(C[NH+]3CCN(CCC[NH+]4CCOCC4)CC3)s2)c1 ZINC000508177270 1002713703 /nfs/dbraw/zinc/71/37/03/1002713703.db2.gz CZJBXNNWIBFVHL-UHFFFAOYSA-N 2 2 420.022 3.908 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000508305257 1002811840 /nfs/dbraw/zinc/81/18/40/1002811840.db2.gz KOJFECSTSVYTHN-MDRMPYQZSA-N 2 2 410.606 3.824 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)cc1 ZINC000499676848 1003032115 /nfs/dbraw/zinc/03/21/15/1003032115.db2.gz FDZIUDGMMGZQOY-DENIHFKCSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)cc1 ZINC000499676848 1003032121 /nfs/dbraw/zinc/03/21/21/1003032121.db2.gz FDZIUDGMMGZQOY-DENIHFKCSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000499764087 1003102561 /nfs/dbraw/zinc/10/25/61/1003102561.db2.gz PTWIIUYVINGJAV-RTWAWAEBSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000499764087 1003102568 /nfs/dbraw/zinc/10/25/68/1003102568.db2.gz PTWIIUYVINGJAV-RTWAWAEBSA-N 2 2 421.589 3.663 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1conc1Cc1ccccc1 ZINC000508878886 1003299835 /nfs/dbraw/zinc/29/98/35/1003299835.db2.gz NPVHUWXHDSPBHZ-UHFFFAOYSA-N 3 2 410.606 3.894 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1conc1Cc1ccccc1 ZINC000508878886 1003299829 /nfs/dbraw/zinc/29/98/29/1003299829.db2.gz NPVHUWXHDSPBHZ-UHFFFAOYSA-N 3 2 410.606 3.894 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2nc3c(ccc(F)c3F)s2)([NH+]2CCCCC2)CC1 ZINC000500033919 1003356753 /nfs/dbraw/zinc/35/67/53/1003356753.db2.gz IEMRWIQVDJBJIL-UHFFFAOYSA-N 2 2 423.533 3.646 20 0 HHADLP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000509006550 1003477744 /nfs/dbraw/zinc/47/77/44/1003477744.db2.gz BORDXIYHEJSADB-IBGZPJMESA-N 2 2 413.562 3.575 20 0 HHADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2NC1=O ZINC000509020132 1003491873 /nfs/dbraw/zinc/49/18/73/1003491873.db2.gz BYUNMOSZARADIB-CVDCTZTESA-N 2 2 422.573 3.659 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304836 1003695658 /nfs/dbraw/zinc/69/56/58/1003695658.db2.gz SBPZWTPCGGYOSM-LEWJYISDSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304836 1003695660 /nfs/dbraw/zinc/69/56/60/1003695660.db2.gz SBPZWTPCGGYOSM-LEWJYISDSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304173 1003695726 /nfs/dbraw/zinc/69/57/26/1003695726.db2.gz QIKKMJAJLZASBE-UXHICEINSA-N 2 2 418.626 3.700 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304173 1003695729 /nfs/dbraw/zinc/69/57/29/1003695729.db2.gz QIKKMJAJLZASBE-UXHICEINSA-N 2 2 418.626 3.700 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511825690 1003795499 /nfs/dbraw/zinc/79/54/99/1003795499.db2.gz VVCWAJRYQYECKI-RBUKOAKNSA-N 2 2 407.921 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511825690 1003795502 /nfs/dbraw/zinc/79/55/02/1003795502.db2.gz VVCWAJRYQYECKI-RBUKOAKNSA-N 2 2 407.921 3.509 20 0 HHADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832947 1003808606 /nfs/dbraw/zinc/80/86/06/1003808606.db2.gz RTYBVODIPACXNH-HXUWFJFHSA-N 2 2 405.464 3.528 20 0 HHADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832947 1003808624 /nfs/dbraw/zinc/80/86/24/1003808624.db2.gz RTYBVODIPACXNH-HXUWFJFHSA-N 2 2 405.464 3.528 20 0 HHADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832947 1003808639 /nfs/dbraw/zinc/80/86/39/1003808639.db2.gz RTYBVODIPACXNH-HXUWFJFHSA-N 2 2 405.464 3.528 20 0 HHADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)Cc1ccccc1 ZINC000511832947 1003808658 /nfs/dbraw/zinc/80/86/58/1003808658.db2.gz RTYBVODIPACXNH-HXUWFJFHSA-N 2 2 405.464 3.528 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)c1 ZINC000509432954 1003858886 /nfs/dbraw/zinc/85/88/86/1003858886.db2.gz SFTJSBHMVXGKKU-YKSBVNFPSA-N 2 2 424.589 3.695 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000509527016 1003924090 /nfs/dbraw/zinc/92/40/90/1003924090.db2.gz MKEATENXYFMQJE-NHCUHLMSSA-N 2 2 409.578 3.540 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000509527016 1003924098 /nfs/dbraw/zinc/92/40/98/1003924098.db2.gz MKEATENXYFMQJE-NHCUHLMSSA-N 2 2 409.578 3.540 20 0 HHADLP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509528704 1003925335 /nfs/dbraw/zinc/92/53/35/1003925335.db2.gz TXGCSQMXAPSTON-UHFFFAOYSA-N 2 2 405.546 3.738 20 0 HHADLP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509528704 1003925345 /nfs/dbraw/zinc/92/53/45/1003925345.db2.gz TXGCSQMXAPSTON-UHFFFAOYSA-N 2 2 405.546 3.738 20 0 HHADLP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2F)CC1 ZINC000500769353 1003946041 /nfs/dbraw/zinc/94/60/41/1003946041.db2.gz BJLUKUGPBLGQEI-UHFFFAOYSA-N 2 2 418.944 3.935 20 0 HHADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000509591056 1003965446 /nfs/dbraw/zinc/96/54/46/1003965446.db2.gz OHSCYPGQGPQHMS-UYAOXDASSA-N 2 2 401.555 3.807 20 0 HHADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000509591054 1003966034 /nfs/dbraw/zinc/96/60/34/1003966034.db2.gz OHSCYPGQGPQHMS-QUCCMNQESA-N 2 2 401.555 3.807 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000509600881 1003971949 /nfs/dbraw/zinc/97/19/49/1003971949.db2.gz JWQGEOONDUZURB-NLWGTHIKSA-N 2 2 413.566 3.831 20 0 HHADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)C2)cc1 ZINC000500811974 1003972598 /nfs/dbraw/zinc/97/25/98/1003972598.db2.gz RTYZHKQXQYPHEU-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)C2)cc1 ZINC000500811974 1003972608 /nfs/dbraw/zinc/97/26/08/1003972608.db2.gz RTYZHKQXQYPHEU-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP CCOc1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000509685043 1004028841 /nfs/dbraw/zinc/02/88/41/1004028841.db2.gz VZXGPELYOOLMIX-UHFFFAOYSA-N 2 2 416.610 3.564 20 0 HHADLP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(Br)c1 ZINC000512132674 1004045718 /nfs/dbraw/zinc/04/57/18/1004045718.db2.gz WMVFHDFBNZNPIK-INIZCTEOSA-N 2 2 419.363 3.968 20 0 HHADLP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(Br)c1 ZINC000512132674 1004045724 /nfs/dbraw/zinc/04/57/24/1004045724.db2.gz WMVFHDFBNZNPIK-INIZCTEOSA-N 2 2 419.363 3.968 20 0 HHADLP COc1sc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000512184613 1004086937 /nfs/dbraw/zinc/08/69/37/1004086937.db2.gz HZWXRVYEUSQWKE-OKILXGFUSA-N 2 2 417.413 3.840 20 0 HHADLP COc1sc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000512184613 1004086947 /nfs/dbraw/zinc/08/69/47/1004086947.db2.gz HZWXRVYEUSQWKE-OKILXGFUSA-N 2 2 417.413 3.840 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000509785688 1004095243 /nfs/dbraw/zinc/09/52/43/1004095243.db2.gz CGFUOVAENBWKAC-FQEVSTJZSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238303 1004140379 /nfs/dbraw/zinc/14/03/79/1004140379.db2.gz ZYNRMGYWNYPUJG-CPJSRVTESA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238303 1004140385 /nfs/dbraw/zinc/14/03/85/1004140385.db2.gz ZYNRMGYWNYPUJG-CPJSRVTESA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238303 1004140389 /nfs/dbraw/zinc/14/03/89/1004140389.db2.gz ZYNRMGYWNYPUJG-CPJSRVTESA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238303 1004140393 /nfs/dbraw/zinc/14/03/93/1004140393.db2.gz ZYNRMGYWNYPUJG-CPJSRVTESA-N 2 2 409.549 3.771 20 0 HHADLP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000512288565 1004190777 /nfs/dbraw/zinc/19/07/77/1004190777.db2.gz NTSHXMBUAJNAHX-QHCPKHFHSA-N 2 2 406.574 3.610 20 0 HHADLP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000512288565 1004190782 /nfs/dbraw/zinc/19/07/82/1004190782.db2.gz NTSHXMBUAJNAHX-QHCPKHFHSA-N 2 2 406.574 3.610 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000501228723 1004298127 /nfs/dbraw/zinc/29/81/27/1004298127.db2.gz QJYGONCJBGUEDD-UHFFFAOYSA-N 2 2 411.550 3.738 20 0 HHADLP Fc1cc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443334 1004305121 /nfs/dbraw/zinc/30/51/21/1004305121.db2.gz AVAZASRDQYOLOQ-HXUWFJFHSA-N 2 2 417.956 3.750 20 0 HHADLP Fc1cc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443334 1004305132 /nfs/dbraw/zinc/30/51/32/1004305132.db2.gz AVAZASRDQYOLOQ-HXUWFJFHSA-N 2 2 417.956 3.750 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512539356 1004370651 /nfs/dbraw/zinc/37/06/51/1004370651.db2.gz COXPMYDBDJZNHT-OFNKIYASSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000512539356 1004370659 /nfs/dbraw/zinc/37/06/59/1004370659.db2.gz COXPMYDBDJZNHT-OFNKIYASSA-N 2 2 402.542 3.962 20 0 HHADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000510259927 1004431158 /nfs/dbraw/zinc/43/11/58/1004431158.db2.gz LCPAWZISKRSSRO-UHFFFAOYSA-N 2 2 409.596 3.534 20 0 HHADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000510259927 1004431165 /nfs/dbraw/zinc/43/11/65/1004431165.db2.gz LCPAWZISKRSSRO-UHFFFAOYSA-N 2 2 409.596 3.534 20 0 HHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483450 1004454714 /nfs/dbraw/zinc/45/47/14/1004454714.db2.gz IJGWJGNLSWIWBW-WOJBJXKFSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483450 1004454726 /nfs/dbraw/zinc/45/47/26/1004454726.db2.gz IJGWJGNLSWIWBW-WOJBJXKFSA-N 2 2 407.599 3.957 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC000501506004 1004475071 /nfs/dbraw/zinc/47/50/71/1004475071.db2.gz UPNBDBJBPNSPRT-LLGFUMIMSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@H](C)O1 ZINC000501506004 1004475087 /nfs/dbraw/zinc/47/50/87/1004475087.db2.gz UPNBDBJBPNSPRT-LLGFUMIMSA-N 2 2 416.591 3.782 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000512669022 1004478693 /nfs/dbraw/zinc/47/86/93/1004478693.db2.gz PRFKQROFCPQILK-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000512669022 1004478696 /nfs/dbraw/zinc/47/86/96/1004478696.db2.gz PRFKQROFCPQILK-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328611 1004485322 /nfs/dbraw/zinc/48/53/22/1004485322.db2.gz CUDCRXIQQUBACQ-ZWKOTPCHSA-N 2 2 418.557 3.842 20 0 HHADLP C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328611 1004485332 /nfs/dbraw/zinc/48/53/32/1004485332.db2.gz CUDCRXIQQUBACQ-ZWKOTPCHSA-N 2 2 418.557 3.842 20 0 HHADLP CCn1c2ccccc2c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)ccc21 ZINC000512904443 1004672812 /nfs/dbraw/zinc/67/28/12/1004672812.db2.gz UIGMUKQLKNGRFJ-SEJPIABJSA-N 2 2 418.585 3.988 20 0 HHADLP CCn1c2ccccc2c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)ccc21 ZINC000512904443 1004672815 /nfs/dbraw/zinc/67/28/15/1004672815.db2.gz UIGMUKQLKNGRFJ-SEJPIABJSA-N 2 2 418.585 3.988 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000512921934 1004696383 /nfs/dbraw/zinc/69/63/83/1004696383.db2.gz DYBSDMFJZBCNMT-YUXAGFNASA-N 2 2 413.566 3.566 20 0 HHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510576588 1004723100 /nfs/dbraw/zinc/72/31/00/1004723100.db2.gz DKYDODHYRWVZRU-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510576588 1004723109 /nfs/dbraw/zinc/72/31/09/1004723109.db2.gz DKYDODHYRWVZRU-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510576588 1004723120 /nfs/dbraw/zinc/72/31/20/1004723120.db2.gz DKYDODHYRWVZRU-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510576588 1004723128 /nfs/dbraw/zinc/72/31/28/1004723128.db2.gz DKYDODHYRWVZRU-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510592025 1004739139 /nfs/dbraw/zinc/73/91/39/1004739139.db2.gz OPGDDMNFJIARAR-SSTJLMRISA-N 2 2 416.610 3.784 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510592025 1004739148 /nfs/dbraw/zinc/73/91/48/1004739148.db2.gz OPGDDMNFJIARAR-SSTJLMRISA-N 2 2 416.610 3.784 20 0 HHADLP Brc1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)CCn2cc[nH+]c2)o1 ZINC000510900605 1004921072 /nfs/dbraw/zinc/92/10/72/1004921072.db2.gz DNTMMBFIMHFRBK-UHFFFAOYSA-N 2 2 416.319 3.918 20 0 HHADLP Brc1ccc(C[N@H+](CCc2ccc3c(c2)CCO3)CCn2cc[nH+]c2)o1 ZINC000510900605 1004921076 /nfs/dbraw/zinc/92/10/76/1004921076.db2.gz DNTMMBFIMHFRBK-UHFFFAOYSA-N 2 2 416.319 3.918 20 0 HHADLP COc1ccccc1O[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000513373171 1004931616 /nfs/dbraw/zinc/93/16/16/1004931616.db2.gz XJYGNZZCURNMFG-HSZRJFAPSA-N 2 2 409.574 3.751 20 0 HHADLP COc1ccccc1O[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000513373171 1004931620 /nfs/dbraw/zinc/93/16/20/1004931620.db2.gz XJYGNZZCURNMFG-HSZRJFAPSA-N 2 2 409.574 3.751 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943542 1004946958 /nfs/dbraw/zinc/94/69/58/1004946958.db2.gz GXOVZUADGCZIGT-GCJKJVERSA-N 2 2 415.603 3.546 20 0 HHADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943542 1004946961 /nfs/dbraw/zinc/94/69/61/1004946961.db2.gz GXOVZUADGCZIGT-GCJKJVERSA-N 2 2 415.603 3.546 20 0 HHADLP CCc1ccc([C@@H]([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C(C)C)cc1 ZINC000510965810 1004957194 /nfs/dbraw/zinc/95/71/94/1004957194.db2.gz GETMBNFQQNENPF-SANMLTNESA-N 2 2 423.601 3.684 20 0 HHADLP COc1cc(C)c(C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000502254972 1004979651 /nfs/dbraw/zinc/97/96/51/1004979651.db2.gz XMBHUCOPWCSJOG-SFHVURJKSA-N 2 2 412.578 3.981 20 0 HHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000513514280 1004999527 /nfs/dbraw/zinc/99/95/27/1004999527.db2.gz IUFXEEPBIQKSSW-DEOSSOPVSA-N 2 2 404.558 3.722 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502321477 1005010896 /nfs/dbraw/zinc/01/08/96/1005010896.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 3 2 407.606 3.741 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502321477 1005010903 /nfs/dbraw/zinc/01/09/03/1005010903.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 3 2 407.606 3.741 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323829 1005012460 /nfs/dbraw/zinc/01/24/60/1005012460.db2.gz XVADQIZFMZPOMG-KRWDZBQOSA-N 2 2 405.502 3.718 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323829 1005012463 /nfs/dbraw/zinc/01/24/63/1005012463.db2.gz XVADQIZFMZPOMG-KRWDZBQOSA-N 2 2 405.502 3.718 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558758 1005021984 /nfs/dbraw/zinc/02/19/84/1005021984.db2.gz DSFQYPZOCRTMOD-XZOQPEGZSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558758 1005021988 /nfs/dbraw/zinc/02/19/88/1005021988.db2.gz DSFQYPZOCRTMOD-XZOQPEGZSA-N 2 2 409.599 3.557 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CC1 ZINC000502422030 1005069494 /nfs/dbraw/zinc/06/94/94/1005069494.db2.gz ZXGUPYKZXAKQNX-QHCPKHFHSA-N 2 2 411.977 3.915 20 0 HHADLP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1OCc1ccccc1 ZINC000513662232 1005071875 /nfs/dbraw/zinc/07/18/75/1005071875.db2.gz UTAAKBCRSYGYHQ-DEOSSOPVSA-N 2 2 423.601 3.876 20 0 HHADLP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1OCc1ccccc1 ZINC000513662232 1005071879 /nfs/dbraw/zinc/07/18/79/1005071879.db2.gz UTAAKBCRSYGYHQ-DEOSSOPVSA-N 2 2 423.601 3.876 20 0 HHADLP CC[C@H]1C[C@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C)c1 ZINC000502495450 1005092348 /nfs/dbraw/zinc/09/23/48/1005092348.db2.gz MZPWNSZFDKMNSO-SQJMNOBHSA-N 2 2 407.558 3.681 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000511576438 1005230915 /nfs/dbraw/zinc/23/09/15/1005230915.db2.gz CBXOVYHZFQONHW-HDICACEKSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000511576438 1005230923 /nfs/dbraw/zinc/23/09/23/1005230923.db2.gz CBXOVYHZFQONHW-HDICACEKSA-N 2 2 402.583 3.680 20 0 HHADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514061787 1005249243 /nfs/dbraw/zinc/24/92/43/1005249243.db2.gz NLIMWABTTVFNCO-HSZRJFAPSA-N 2 2 423.605 3.848 20 0 HHADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514061787 1005249246 /nfs/dbraw/zinc/24/92/46/1005249246.db2.gz NLIMWABTTVFNCO-HSZRJFAPSA-N 2 2 423.605 3.848 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000514111459 1005270450 /nfs/dbraw/zinc/27/04/50/1005270450.db2.gz QPFKQGXHDAHYBH-ROUUACIJSA-N 2 2 401.530 3.569 20 0 HHADLP CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502911538 1005271168 /nfs/dbraw/zinc/27/11/68/1005271168.db2.gz OTNZLJQMSACUOW-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502950427 1005289016 /nfs/dbraw/zinc/28/90/16/1005289016.db2.gz QGIZZIKZGCYWRP-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000502952980 1005290861 /nfs/dbraw/zinc/29/08/61/1005290861.db2.gz VLENHFJYKRDRHF-LJQANCHMSA-N 2 2 405.546 3.860 20 0 HHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@H]3CCOC[C@H]23)cc1 ZINC000511785159 1005326829 /nfs/dbraw/zinc/32/68/29/1005326829.db2.gz JCXZWDJWPJSNRF-NXCFDTQHSA-N 2 2 405.586 3.703 20 0 HHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@H]3CCOC[C@H]23)cc1 ZINC000511785159 1005326832 /nfs/dbraw/zinc/32/68/32/1005326832.db2.gz JCXZWDJWPJSNRF-NXCFDTQHSA-N 2 2 405.586 3.703 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000503051942 1005328757 /nfs/dbraw/zinc/32/87/57/1005328757.db2.gz WVKBVTIRBJRGQT-UHFFFAOYSA-N 2 2 409.559 3.839 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000503051942 1005328769 /nfs/dbraw/zinc/32/87/69/1005328769.db2.gz WVKBVTIRBJRGQT-UHFFFAOYSA-N 2 2 409.559 3.839 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000503072602 1005337778 /nfs/dbraw/zinc/33/77/78/1005337778.db2.gz LHKVXKBZDJYYKY-OXQOHEQNSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000503072602 1005337785 /nfs/dbraw/zinc/33/77/85/1005337785.db2.gz LHKVXKBZDJYYKY-OXQOHEQNSA-N 2 2 420.479 3.976 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503074790 1005339418 /nfs/dbraw/zinc/33/94/18/1005339418.db2.gz RYJTWUQZBFKNSR-UZLBHIALSA-N 2 2 412.921 3.996 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503074790 1005339425 /nfs/dbraw/zinc/33/94/25/1005339425.db2.gz RYJTWUQZBFKNSR-UZLBHIALSA-N 2 2 412.921 3.996 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076838 1005340509 /nfs/dbraw/zinc/34/05/09/1005340509.db2.gz ZLSFOZZLJABOIG-MBSDFSHPSA-N 2 2 406.530 3.586 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076838 1005340513 /nfs/dbraw/zinc/34/05/13/1005340513.db2.gz ZLSFOZZLJABOIG-MBSDFSHPSA-N 2 2 406.530 3.586 20 0 HHADLP CCC(CC)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000503091268 1005344816 /nfs/dbraw/zinc/34/48/16/1005344816.db2.gz QXCLKMGBGVKCLX-LJQANCHMSA-N 2 2 411.594 3.971 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000503098058 1005346947 /nfs/dbraw/zinc/34/69/47/1005346947.db2.gz XZAUNJCFXUVBBY-PKOBYXMFSA-N 2 2 410.518 3.836 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000503098058 1005346951 /nfs/dbraw/zinc/34/69/51/1005346951.db2.gz XZAUNJCFXUVBBY-PKOBYXMFSA-N 2 2 410.518 3.836 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144838 1005356507 /nfs/dbraw/zinc/35/65/07/1005356507.db2.gz ILSJHJKHSVSEAZ-BJKOFHAPSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144838 1005356508 /nfs/dbraw/zinc/35/65/08/1005356508.db2.gz ILSJHJKHSVSEAZ-BJKOFHAPSA-N 2 2 422.573 3.571 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000503257479 1005378561 /nfs/dbraw/zinc/37/85/61/1005378561.db2.gz NRXJUQBCRJNHJR-VWLOTQADSA-N 2 2 423.601 3.854 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000503257479 1005378564 /nfs/dbraw/zinc/37/85/64/1005378564.db2.gz NRXJUQBCRJNHJR-VWLOTQADSA-N 2 2 423.601 3.854 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379251 1005402894 /nfs/dbraw/zinc/40/28/94/1005402894.db2.gz UVOCEJSTIYJDHY-WMZOPIPTSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379251 1005402897 /nfs/dbraw/zinc/40/28/97/1005402897.db2.gz UVOCEJSTIYJDHY-WMZOPIPTSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387618 1005405447 /nfs/dbraw/zinc/40/54/47/1005405447.db2.gz WAZSBSIWOYQNBS-WMZOPIPTSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503387618 1005405448 /nfs/dbraw/zinc/40/54/48/1005405448.db2.gz WAZSBSIWOYQNBS-WMZOPIPTSA-N 2 2 400.954 3.757 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)CC1 ZINC000503456333 1005425777 /nfs/dbraw/zinc/42/57/77/1005425777.db2.gz WEIAGHPCUVDAEF-QHCPKHFHSA-N 2 2 409.578 3.585 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639624 1005471085 /nfs/dbraw/zinc/47/10/85/1005471085.db2.gz LWIVFBNICFYRDH-UKILVPOCSA-N 2 2 420.601 3.695 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639624 1005471086 /nfs/dbraw/zinc/47/10/86/1005471086.db2.gz LWIVFBNICFYRDH-UKILVPOCSA-N 2 2 420.601 3.695 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2ccccc2s1 ZINC000504238282 1005579922 /nfs/dbraw/zinc/57/99/22/1005579922.db2.gz ZMHCAUBOJOWZIV-MRXNPFEDSA-N 2 2 400.592 3.820 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432997 1005987761 /nfs/dbraw/zinc/98/77/61/1005987761.db2.gz KUGBVCBKGGKRMA-BHIYHBOVSA-N 2 2 422.639 3.650 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432997 1005987769 /nfs/dbraw/zinc/98/77/69/1005987769.db2.gz KUGBVCBKGGKRMA-BHIYHBOVSA-N 2 2 422.639 3.650 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000534176543 1006161859 /nfs/dbraw/zinc/16/18/59/1006161859.db2.gz FVGVNYVJYXPIBC-GHTZIAJQSA-N 2 2 421.010 3.965 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000531427614 1006188528 /nfs/dbraw/zinc/18/85/28/1006188528.db2.gz SPWIZJWPSUQGLL-UHFFFAOYSA-N 2 2 402.542 3.792 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358499 1006320550 /nfs/dbraw/zinc/32/05/50/1006320550.db2.gz FKCGCWBEWJHOFX-XZOQPEGZSA-N 2 2 401.595 3.885 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358499 1006320559 /nfs/dbraw/zinc/32/05/59/1006320559.db2.gz FKCGCWBEWJHOFX-XZOQPEGZSA-N 2 2 401.595 3.885 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359127 1006321966 /nfs/dbraw/zinc/32/19/66/1006321966.db2.gz GAVHACDGBNTXAR-BHIYHBOVSA-N 2 2 422.639 3.568 20 0 HHADLP CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534359127 1006321976 /nfs/dbraw/zinc/32/19/76/1006321976.db2.gz GAVHACDGBNTXAR-BHIYHBOVSA-N 2 2 422.639 3.568 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358917 1006322524 /nfs/dbraw/zinc/32/25/24/1006322524.db2.gz QHSZPIAFKCBNTA-UXHICEINSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358917 1006322533 /nfs/dbraw/zinc/32/25/33/1006322533.db2.gz QHSZPIAFKCBNTA-UXHICEINSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360187 1006323498 /nfs/dbraw/zinc/32/34/98/1006323498.db2.gz MCLBGGHVWQAEQJ-FCHUYYIVSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360187 1006323510 /nfs/dbraw/zinc/32/35/10/1006323510.db2.gz MCLBGGHVWQAEQJ-FCHUYYIVSA-N 2 2 417.569 3.584 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361390 1006327322 /nfs/dbraw/zinc/32/73/22/1006327322.db2.gz YUXFRPWZEJWLNV-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361390 1006327328 /nfs/dbraw/zinc/32/73/28/1006327328.db2.gz YUXFRPWZEJWLNV-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361607 1006327632 /nfs/dbraw/zinc/32/76/32/1006327632.db2.gz NAEHOQUNLXMEOT-RBUKOAKNSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361607 1006327645 /nfs/dbraw/zinc/32/76/45/1006327645.db2.gz NAEHOQUNLXMEOT-RBUKOAKNSA-N 2 2 406.640 3.850 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381915 1006353650 /nfs/dbraw/zinc/35/36/50/1006353650.db2.gz JZGGTSCERSADMW-YYWHXJBOSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381915 1006353657 /nfs/dbraw/zinc/35/36/57/1006353657.db2.gz JZGGTSCERSADMW-YYWHXJBOSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382088 1006353693 /nfs/dbraw/zinc/35/36/93/1006353693.db2.gz MPFFPMUCQJITDC-MOPGFXCFSA-N 2 2 410.965 3.740 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382088 1006353708 /nfs/dbraw/zinc/35/37/08/1006353708.db2.gz MPFFPMUCQJITDC-MOPGFXCFSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382088 1006353715 /nfs/dbraw/zinc/35/37/15/1006353715.db2.gz MPFFPMUCQJITDC-MOPGFXCFSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382088 1006353725 /nfs/dbraw/zinc/35/37/25/1006353725.db2.gz MPFFPMUCQJITDC-MOPGFXCFSA-N 2 2 410.965 3.740 20 0 HHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531691335 1006357069 /nfs/dbraw/zinc/35/70/69/1006357069.db2.gz TYTBGRBDTRPIAX-QGZVFWFLSA-N 2 2 400.954 3.731 20 0 HHADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)s2)cc1 ZINC000531715128 1006373812 /nfs/dbraw/zinc/37/38/12/1006373812.db2.gz MXHNCDQYRHCPIN-VQIMIIECSA-N 2 2 403.592 3.871 20 0 HHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)s2)cc1 ZINC000531715127 1006374119 /nfs/dbraw/zinc/37/41/19/1006374119.db2.gz MXHNCDQYRHCPIN-QFBILLFUSA-N 2 2 403.592 3.871 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000534444282 1006424444 /nfs/dbraw/zinc/42/44/44/1006424444.db2.gz RRZHBUYWZOKTEV-QHCPKHFHSA-N 2 2 423.605 3.654 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000515382350 1006428946 /nfs/dbraw/zinc/42/89/46/1006428946.db2.gz KIBDGTIOIJVREL-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000515382350 1006428954 /nfs/dbraw/zinc/42/89/54/1006428954.db2.gz KIBDGTIOIJVREL-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP CCCc1[nH+]ccn1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000534499108 1006497963 /nfs/dbraw/zinc/49/79/63/1006497963.db2.gz XEPCOOAGRRCKHG-UHFFFAOYSA-N 2 2 402.542 3.769 20 0 HHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000531958768 1006546588 /nfs/dbraw/zinc/54/65/88/1006546588.db2.gz ZBKRSYFMGSSCSE-PXDATVDWSA-N 2 2 403.574 3.571 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nnn1-c1ccc(C)cc1 ZINC000531965631 1006550719 /nfs/dbraw/zinc/55/07/19/1006550719.db2.gz IULGAGIYLCRUTO-RDPSFJRHSA-N 2 2 418.589 3.523 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354532 1006622662 /nfs/dbraw/zinc/62/26/62/1006622662.db2.gz QRAHDWDCDJANHS-MOPGFXCFSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354532 1006622679 /nfs/dbraw/zinc/62/26/79/1006622679.db2.gz QRAHDWDCDJANHS-MOPGFXCFSA-N 2 2 412.500 3.905 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538393201 1006662983 /nfs/dbraw/zinc/66/29/83/1006662983.db2.gz JMLOKUMNUBBPPN-AWEZNQCLSA-N 2 2 422.367 3.789 20 0 HHADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000538401375 1006669810 /nfs/dbraw/zinc/66/98/10/1006669810.db2.gz XLYFGOYYZFYCDQ-UHFFFAOYSA-N 2 2 410.493 3.540 20 0 HHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000532361749 1006819943 /nfs/dbraw/zinc/81/99/43/1006819943.db2.gz WWYNSDCNBXKZBY-RTBURBONSA-N 2 2 414.594 3.903 20 0 HHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442346 1006885405 /nfs/dbraw/zinc/88/54/05/1006885405.db2.gz SCKAAZXEEMSFIU-BAGYTPMASA-N 3 2 404.668 3.669 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441982 1006886130 /nfs/dbraw/zinc/88/61/30/1006886130.db2.gz TZQSFJGCHLOCND-MZYLBHOOSA-N 3 2 412.647 3.679 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441982 1006886138 /nfs/dbraw/zinc/88/61/38/1006886138.db2.gz TZQSFJGCHLOCND-MZYLBHOOSA-N 3 2 412.647 3.679 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1C(F)(F)F ZINC000532447033 1006890484 /nfs/dbraw/zinc/89/04/84/1006890484.db2.gz JZPWMCYIMFBTBF-INIZCTEOSA-N 2 2 405.464 3.944 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532571925 1007002980 /nfs/dbraw/zinc/00/29/80/1007002980.db2.gz IUWRTHFTXSVGMG-FXAWDEMLSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532571925 1007002994 /nfs/dbraw/zinc/00/29/94/1007002994.db2.gz IUWRTHFTXSVGMG-FXAWDEMLSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532571933 1007004668 /nfs/dbraw/zinc/00/46/68/1007004668.db2.gz IUWRTHFTXSVGMG-YLJYHZDGSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532571933 1007004679 /nfs/dbraw/zinc/00/46/79/1007004679.db2.gz IUWRTHFTXSVGMG-YLJYHZDGSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)C[C@@H](C)O1 ZINC000532645378 1007065046 /nfs/dbraw/zinc/06/50/46/1007065046.db2.gz VVQJPVVZZFCDQX-HZPDHXFCSA-N 2 2 418.969 3.700 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088352 1007101169 /nfs/dbraw/zinc/10/11/69/1007101169.db2.gz SOCZHHLMIPHDBT-YADHBBJMSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088352 1007101194 /nfs/dbraw/zinc/10/11/94/1007101194.db2.gz SOCZHHLMIPHDBT-YADHBBJMSA-N 2 2 400.567 3.690 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093161 1007106903 /nfs/dbraw/zinc/10/69/03/1007106903.db2.gz BWEQFVOEPNMRKA-XZOQPEGZSA-N 2 2 400.611 3.593 20 0 HHADLP Cc1ccccc1NCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093161 1007106924 /nfs/dbraw/zinc/10/69/24/1007106924.db2.gz BWEQFVOEPNMRKA-XZOQPEGZSA-N 2 2 400.611 3.593 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093516 1007108276 /nfs/dbraw/zinc/10/82/76/1007108276.db2.gz DNYVJHLRRLPYNU-YHBROIRLSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093516 1007108283 /nfs/dbraw/zinc/10/82/83/1007108283.db2.gz DNYVJHLRRLPYNU-YHBROIRLSA-N 2 2 419.560 3.864 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095444 1007110257 /nfs/dbraw/zinc/11/02/57/1007110257.db2.gz NISVNOCCNOUWHI-PMACEKPBSA-N 2 2 406.640 3.751 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095444 1007110269 /nfs/dbraw/zinc/11/02/69/1007110269.db2.gz NISVNOCCNOUWHI-PMACEKPBSA-N 2 2 406.640 3.751 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095439 1007110314 /nfs/dbraw/zinc/11/03/14/1007110314.db2.gz LDHSJYIAIQCQMV-CTUHWIOQSA-N 2 2 415.622 3.984 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095439 1007110321 /nfs/dbraw/zinc/11/03/21/1007110321.db2.gz LDHSJYIAIQCQMV-CTUHWIOQSA-N 2 2 415.622 3.984 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095308 1007110929 /nfs/dbraw/zinc/11/09/29/1007110929.db2.gz MFULANNHTUGRLC-YYWHXJBOSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095308 1007110932 /nfs/dbraw/zinc/11/09/32/1007110932.db2.gz MFULANNHTUGRLC-YYWHXJBOSA-N 2 2 422.013 3.903 20 0 HHADLP CC[N@H+](CC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734046 1007144706 /nfs/dbraw/zinc/14/47/06/1007144706.db2.gz GYZKCEVHLNLKRI-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734046 1007144711 /nfs/dbraw/zinc/14/47/11/1007144711.db2.gz GYZKCEVHLNLKRI-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119337 1007151837 /nfs/dbraw/zinc/15/18/37/1007151837.db2.gz AMXUCEGHNNTNOI-PKTZIBPZSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119337 1007151843 /nfs/dbraw/zinc/15/18/43/1007151843.db2.gz AMXUCEGHNNTNOI-PKTZIBPZSA-N 2 2 423.605 3.713 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120338 1007153128 /nfs/dbraw/zinc/15/31/28/1007153128.db2.gz GDBUHPPAFVTTJN-XZOQPEGZSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120338 1007153135 /nfs/dbraw/zinc/15/31/35/1007153135.db2.gz GDBUHPPAFVTTJN-XZOQPEGZSA-N 2 2 416.610 3.564 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121485 1007153811 /nfs/dbraw/zinc/15/38/11/1007153811.db2.gz NRWABIJQPXRXII-CDNPAEQRSA-N 2 2 416.610 3.735 20 0 HHADLP COc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535121485 1007153819 /nfs/dbraw/zinc/15/38/19/1007153819.db2.gz NRWABIJQPXRXII-CDNPAEQRSA-N 2 2 416.610 3.735 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000532793679 1007186130 /nfs/dbraw/zinc/18/61/30/1007186130.db2.gz UVBAKLLQEUNCBV-FQEVSTJZSA-N 2 2 400.485 3.797 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000532793679 1007186138 /nfs/dbraw/zinc/18/61/38/1007186138.db2.gz UVBAKLLQEUNCBV-FQEVSTJZSA-N 2 2 400.485 3.797 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C[C@H](C)O1 ZINC000516639704 1007207151 /nfs/dbraw/zinc/20/71/51/1007207151.db2.gz QDJOAQBEJSUSPB-CALCHBBNSA-N 2 2 416.484 3.675 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C[C@H](C)O1 ZINC000516639704 1007207159 /nfs/dbraw/zinc/20/71/59/1007207159.db2.gz QDJOAQBEJSUSPB-CALCHBBNSA-N 2 2 416.484 3.675 20 0 HHADLP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1)CC1CC1 ZINC000538949736 1007237488 /nfs/dbraw/zinc/23/74/88/1007237488.db2.gz VNEHFDILBCSALM-FQEVSTJZSA-N 2 2 422.411 3.810 20 0 HHADLP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1)CC1CC1 ZINC000538949736 1007237493 /nfs/dbraw/zinc/23/74/93/1007237493.db2.gz VNEHFDILBCSALM-FQEVSTJZSA-N 2 2 422.411 3.810 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850856 1007238397 /nfs/dbraw/zinc/23/83/97/1007238397.db2.gz YMLDDTZMVMZCFX-YSGRDPCXSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850856 1007238416 /nfs/dbraw/zinc/23/84/16/1007238416.db2.gz YMLDDTZMVMZCFX-YSGRDPCXSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850856 1007238430 /nfs/dbraw/zinc/23/84/30/1007238430.db2.gz YMLDDTZMVMZCFX-YSGRDPCXSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850856 1007238441 /nfs/dbraw/zinc/23/84/41/1007238441.db2.gz YMLDDTZMVMZCFX-YSGRDPCXSA-N 2 2 410.965 3.644 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ncc(Br)s1 ZINC000535230974 1007283450 /nfs/dbraw/zinc/28/34/50/1007283450.db2.gz QKKOBTPYQJLCRM-ZDUSSCGKSA-N 2 2 410.381 3.713 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265446 1007314500 /nfs/dbraw/zinc/31/45/00/1007314500.db2.gz INWHZMDHTKEKDG-PWRODBHTSA-N 2 2 416.928 3.710 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265446 1007314512 /nfs/dbraw/zinc/31/45/12/1007314512.db2.gz INWHZMDHTKEKDG-PWRODBHTSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265446 1007314524 /nfs/dbraw/zinc/31/45/24/1007314524.db2.gz INWHZMDHTKEKDG-PWRODBHTSA-N 2 2 416.928 3.710 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535265446 1007314538 /nfs/dbraw/zinc/31/45/38/1007314538.db2.gz INWHZMDHTKEKDG-PWRODBHTSA-N 2 2 416.928 3.710 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000532956696 1007323440 /nfs/dbraw/zinc/32/34/40/1007323440.db2.gz JAGOLZZOZDCXMD-KURKYZTESA-N 2 2 407.986 3.797 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532982462 1007354004 /nfs/dbraw/zinc/35/40/04/1007354004.db2.gz NZSLHVBVWHNKFQ-HXUWFJFHSA-N 2 2 413.949 3.600 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000532982462 1007354018 /nfs/dbraw/zinc/35/40/18/1007354018.db2.gz NZSLHVBVWHNKFQ-HXUWFJFHSA-N 2 2 413.949 3.600 20 0 HHADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535325309 1007378217 /nfs/dbraw/zinc/37/82/17/1007378217.db2.gz GPZKXUZTIAFZIH-UHFFFAOYSA-N 2 2 416.529 3.593 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143438 1007439128 /nfs/dbraw/zinc/43/91/28/1007439128.db2.gz RWAMUYHUUQBFDO-TYCQWZJGSA-N 2 2 424.992 3.892 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143438 1007439136 /nfs/dbraw/zinc/43/91/36/1007439136.db2.gz RWAMUYHUUQBFDO-TYCQWZJGSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143438 1007439144 /nfs/dbraw/zinc/43/91/44/1007439144.db2.gz RWAMUYHUUQBFDO-TYCQWZJGSA-N 2 2 424.992 3.892 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539143438 1007439150 /nfs/dbraw/zinc/43/91/50/1007439150.db2.gz RWAMUYHUUQBFDO-TYCQWZJGSA-N 2 2 424.992 3.892 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000535394763 1007460500 /nfs/dbraw/zinc/46/05/00/1007460500.db2.gz PMGOWOCHRHKFBX-TZRRMPRUSA-N 2 2 417.557 3.986 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C)c1 ZINC000535394763 1007460503 /nfs/dbraw/zinc/46/05/03/1007460503.db2.gz PMGOWOCHRHKFBX-TZRRMPRUSA-N 2 2 417.557 3.986 20 0 HHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000517197458 1007499216 /nfs/dbraw/zinc/49/92/16/1007499216.db2.gz MBFUNTHQJVXRGR-UHFFFAOYSA-N 2 2 423.561 3.531 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172691 1007514133 /nfs/dbraw/zinc/51/41/33/1007514133.db2.gz YZYASGWUTMFZPW-RTWAWAEBSA-N 2 2 422.976 3.931 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172691 1007514142 /nfs/dbraw/zinc/51/41/42/1007514142.db2.gz YZYASGWUTMFZPW-RTWAWAEBSA-N 2 2 422.976 3.931 20 0 HHADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000539261136 1007556770 /nfs/dbraw/zinc/55/67/70/1007556770.db2.gz LJDIQMOKXIKMFX-RUZDIDTESA-N 2 2 423.601 3.820 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000535506009 1007561408 /nfs/dbraw/zinc/56/14/08/1007561408.db2.gz ACIAHSIEAXZAJO-TZIWHRDSSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000535506009 1007561417 /nfs/dbraw/zinc/56/14/17/1007561417.db2.gz ACIAHSIEAXZAJO-TZIWHRDSSA-N 2 2 419.338 3.802 20 0 HHADLP CCSc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000539303003 1007601086 /nfs/dbraw/zinc/60/10/86/1007601086.db2.gz HZOJDAQITIDCLK-KRWDZBQOSA-N 2 2 403.617 3.855 20 0 HHADLP Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000533347497 1007655688 /nfs/dbraw/zinc/65/56/88/1007655688.db2.gz BHXIBIRHAQVJKI-NRFANRHFSA-N 2 2 417.513 3.868 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647994 1007656966 /nfs/dbraw/zinc/65/69/66/1007656966.db2.gz ZFNRIQRYHFQPEI-FGZHOGPDSA-N 2 2 401.599 3.554 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647994 1007656972 /nfs/dbraw/zinc/65/69/72/1007656972.db2.gz ZFNRIQRYHFQPEI-FGZHOGPDSA-N 2 2 401.599 3.554 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395310 1007707345 /nfs/dbraw/zinc/70/73/45/1007707345.db2.gz MUHLYRODLVPSCA-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395310 1007707356 /nfs/dbraw/zinc/70/73/56/1007707356.db2.gz MUHLYRODLVPSCA-UHFFFAOYSA-N 2 2 413.541 3.977 20 0 HHADLP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533435375 1007749632 /nfs/dbraw/zinc/74/96/32/1007749632.db2.gz VOMSIKAWRDPMRF-SFHVURJKSA-N 2 2 408.468 3.885 20 0 HHADLP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000533435375 1007749643 /nfs/dbraw/zinc/74/96/43/1007749643.db2.gz VOMSIKAWRDPMRF-SFHVURJKSA-N 2 2 408.468 3.885 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458949 1007769771 /nfs/dbraw/zinc/76/97/71/1007769771.db2.gz RNDQOZVTLAUSAE-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458949 1007769774 /nfs/dbraw/zinc/76/97/74/1007769774.db2.gz RNDQOZVTLAUSAE-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP CC[NH+]1CCN(c2ccc(-c3noc([C@H](c4ccccc4)[NH+](C)C)n3)cc2F)CC1 ZINC000517579362 1007782137 /nfs/dbraw/zinc/78/21/37/1007782137.db2.gz PBQWZNJBGWKEFU-NRFANRHFSA-N 2 2 409.509 3.669 20 0 HHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000533496659 1007807273 /nfs/dbraw/zinc/80/72/73/1007807273.db2.gz SEGZMGQTFZTLGL-INIZCTEOSA-N 2 2 423.513 3.938 20 0 HHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)oc21 ZINC000539495318 1007807559 /nfs/dbraw/zinc/80/75/59/1007807559.db2.gz LNUBHPNPUSBJIC-SFHVURJKSA-N 2 2 422.529 3.616 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000539509262 1007818777 /nfs/dbraw/zinc/81/87/77/1007818777.db2.gz XZSMHNFHRHSOQA-PNHOKKKMSA-N 2 2 411.384 3.876 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000539540469 1007849287 /nfs/dbraw/zinc/84/92/87/1007849287.db2.gz UAMKORGZJUCVNS-WIYYLYMNSA-N 2 2 411.550 3.535 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849382 1007862278 /nfs/dbraw/zinc/86/22/78/1007862278.db2.gz YZTFLBFQYXMWBP-NHCUHLMSSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849382 1007862283 /nfs/dbraw/zinc/86/22/83/1007862283.db2.gz YZTFLBFQYXMWBP-NHCUHLMSSA-N 2 2 407.986 3.514 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000533550143 1007869505 /nfs/dbraw/zinc/86/95/05/1007869505.db2.gz UMSIVVTVEPDUFJ-UXHICEINSA-N 2 2 414.509 3.959 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570898 1007887198 /nfs/dbraw/zinc/88/71/98/1007887198.db2.gz YDZWJVKXGKEJJR-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539570898 1007887210 /nfs/dbraw/zinc/88/72/10/1007887210.db2.gz YDZWJVKXGKEJJR-AZUAARDMSA-N 2 2 411.512 3.860 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878700 1007897678 /nfs/dbraw/zinc/89/76/78/1007897678.db2.gz YYVVOMAAPABTNL-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878700 1007897684 /nfs/dbraw/zinc/89/76/84/1007897684.db2.gz YYVVOMAAPABTNL-RTWAWAEBSA-N 2 2 424.992 3.958 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626809 1007929935 /nfs/dbraw/zinc/92/99/35/1007929935.db2.gz PREIPEFFESJRNO-ZHALLVOQSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626809 1007929943 /nfs/dbraw/zinc/92/99/43/1007929943.db2.gz PREIPEFFESJRNO-ZHALLVOQSA-N 2 2 424.973 3.888 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648405 1007957742 /nfs/dbraw/zinc/95/77/42/1007957742.db2.gz NFKFXNHQFSMUDP-RTBURBONSA-N 2 2 406.640 3.984 20 0 HHADLP Cc1nc(C(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648405 1007957748 /nfs/dbraw/zinc/95/77/48/1007957748.db2.gz NFKFXNHQFSMUDP-RTBURBONSA-N 2 2 406.640 3.984 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648262 1007958697 /nfs/dbraw/zinc/95/86/97/1007958697.db2.gz LVJBSQYGOKXEPF-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)n1 ZINC000533648262 1007958701 /nfs/dbraw/zinc/95/87/01/1007958701.db2.gz LVJBSQYGOKXEPF-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649908 1007960423 /nfs/dbraw/zinc/96/04/23/1007960423.db2.gz YIMLYECEEZGOAA-VXKWHMMOSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649908 1007960430 /nfs/dbraw/zinc/96/04/30/1007960430.db2.gz YIMLYECEEZGOAA-VXKWHMMOSA-N 2 2 419.635 3.583 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649636 1007961085 /nfs/dbraw/zinc/96/10/85/1007961085.db2.gz PUTBXXKDHAOCHE-BJKOFHAPSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649636 1007961099 /nfs/dbraw/zinc/96/10/99/1007961099.db2.gz PUTBXXKDHAOCHE-BJKOFHAPSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650551 1007962112 /nfs/dbraw/zinc/96/21/12/1007962112.db2.gz YSPMDNYMGANDTG-YADHBBJMSA-N 2 2 415.553 3.910 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650551 1007962122 /nfs/dbraw/zinc/96/21/22/1007962122.db2.gz YSPMDNYMGANDTG-YADHBBJMSA-N 2 2 415.553 3.910 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649962 1007962782 /nfs/dbraw/zinc/96/27/82/1007962782.db2.gz VFCWDEANMNQCPU-XZOQPEGZSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649962 1007962788 /nfs/dbraw/zinc/96/27/88/1007962788.db2.gz VFCWDEANMNQCPU-XZOQPEGZSA-N 2 2 410.606 3.814 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000539658406 1007973862 /nfs/dbraw/zinc/97/38/62/1007973862.db2.gz YKARADMOVIMZJQ-GHTZIAJQSA-N 2 2 420.561 3.708 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000517812606 1007987087 /nfs/dbraw/zinc/98/70/87/1007987087.db2.gz FFOMGMIKJAOSHG-UHFFFAOYSA-N 2 2 409.509 3.853 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672439 1007991338 /nfs/dbraw/zinc/99/13/38/1007991338.db2.gz QJDQOSMGQPPQED-RPWUZVMVSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672439 1007991348 /nfs/dbraw/zinc/99/13/48/1007991348.db2.gz QJDQOSMGQPPQED-RPWUZVMVSA-N 2 2 414.638 3.825 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533673378 1007992969 /nfs/dbraw/zinc/99/29/69/1007992969.db2.gz PXMUVOPHZXHQDA-PKTZIBPZSA-N 2 2 418.601 3.737 20 0 HHADLP CN(C(=O)NCCCc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533673378 1007992976 /nfs/dbraw/zinc/99/29/76/1007992976.db2.gz PXMUVOPHZXHQDA-PKTZIBPZSA-N 2 2 418.601 3.737 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539687786 1008007663 /nfs/dbraw/zinc/00/76/63/1008007663.db2.gz DRJCRWKHMYOUOY-MRXNPFEDSA-N 2 2 411.550 3.752 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000517904631 1008048137 /nfs/dbraw/zinc/04/81/37/1008048137.db2.gz RWLQNCMXNMTCFX-HXUWFJFHSA-N 2 2 414.594 3.810 20 0 HHADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851804 1008140656 /nfs/dbraw/zinc/14/06/56/1008140656.db2.gz DCEIHQPNZRWSOS-KRWDZBQOSA-N 2 2 403.368 3.943 20 0 HHADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851804 1008140660 /nfs/dbraw/zinc/14/06/60/1008140660.db2.gz DCEIHQPNZRWSOS-KRWDZBQOSA-N 2 2 403.368 3.943 20 0 HHADLP CC(C)COC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955346 1008231396 /nfs/dbraw/zinc/23/13/96/1008231396.db2.gz HLZARWPYIQNAGQ-HXUWFJFHSA-N 2 2 402.501 3.635 20 0 HHADLP CC(C)COC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000533955346 1008231406 /nfs/dbraw/zinc/23/14/06/1008231406.db2.gz HLZARWPYIQNAGQ-HXUWFJFHSA-N 2 2 402.501 3.635 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 ZINC000518268570 1008234080 /nfs/dbraw/zinc/23/40/80/1008234080.db2.gz JUYOOYUITKZAIQ-SANMLTNESA-N 2 2 423.601 3.855 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332708 1008264904 /nfs/dbraw/zinc/26/49/04/1008264904.db2.gz CRIBZLJPNNTNON-VQTJNVASSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332708 1008264910 /nfs/dbraw/zinc/26/49/10/1008264910.db2.gz CRIBZLJPNNTNON-VQTJNVASSA-N 2 2 418.969 3.890 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)cc1 ZINC000540168065 1008319868 /nfs/dbraw/zinc/31/98/68/1008319868.db2.gz BQFQPZATANMZKD-CYFREDJKSA-N 2 2 407.558 3.627 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2)cc1 ZINC000540168065 1008319873 /nfs/dbraw/zinc/31/98/73/1008319873.db2.gz BQFQPZATANMZKD-CYFREDJKSA-N 2 2 407.558 3.627 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244091 1008350667 /nfs/dbraw/zinc/35/06/67/1008350667.db2.gz HQIBSHMCYUJRHJ-WJFKRZNGSA-N 2 2 408.949 3.539 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244091 1008350668 /nfs/dbraw/zinc/35/06/68/1008350668.db2.gz HQIBSHMCYUJRHJ-WJFKRZNGSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244091 1008350671 /nfs/dbraw/zinc/35/06/71/1008350671.db2.gz HQIBSHMCYUJRHJ-WJFKRZNGSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244091 1008350674 /nfs/dbraw/zinc/35/06/74/1008350674.db2.gz HQIBSHMCYUJRHJ-WJFKRZNGSA-N 2 2 408.949 3.539 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1)CC(C)C ZINC000540271491 1008362936 /nfs/dbraw/zinc/36/29/36/1008362936.db2.gz JVQXUMVBIBUNPW-UHFFFAOYSA-N 2 2 403.615 3.552 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1)CC(C)C ZINC000540271491 1008362939 /nfs/dbraw/zinc/36/29/39/1008362939.db2.gz JVQXUMVBIBUNPW-UHFFFAOYSA-N 2 2 403.615 3.552 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912930 1008470979 /nfs/dbraw/zinc/47/09/79/1008470979.db2.gz JWVCTZDIYZDJCT-VGSWGCGISA-N 2 2 414.525 3.643 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540544957 1008475423 /nfs/dbraw/zinc/47/54/23/1008475423.db2.gz WWFUSQDLBGRJEF-RBUKOAKNSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540544957 1008475425 /nfs/dbraw/zinc/47/54/25/1008475425.db2.gz WWFUSQDLBGRJEF-RBUKOAKNSA-N 2 2 405.612 3.821 20 0 HHADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981770 1008559990 /nfs/dbraw/zinc/55/99/90/1008559990.db2.gz BIWYPHMXRVIDNX-DEOSSOPVSA-N 2 2 404.558 3.776 20 0 HHADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2cnn(C)c2)c1 ZINC000548981770 1008559997 /nfs/dbraw/zinc/55/99/97/1008559997.db2.gz BIWYPHMXRVIDNX-DEOSSOPVSA-N 2 2 404.558 3.776 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000543043303 1008624992 /nfs/dbraw/zinc/62/49/92/1008624992.db2.gz QSQKBQPPMHIQHI-NZQKXSOJSA-N 2 2 409.578 3.748 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000543043303 1008625002 /nfs/dbraw/zinc/62/50/02/1008625002.db2.gz QSQKBQPPMHIQHI-NZQKXSOJSA-N 2 2 409.578 3.748 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549158410 1008727532 /nfs/dbraw/zinc/72/75/32/1008727532.db2.gz CSDPNVHGWFUKAW-LJQANCHMSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549158410 1008727536 /nfs/dbraw/zinc/72/75/36/1008727536.db2.gz CSDPNVHGWFUKAW-LJQANCHMSA-N 2 2 423.586 3.704 20 0 HHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868635 1008957391 /nfs/dbraw/zinc/95/73/91/1008957391.db2.gz VWGVRNVZTWPGQQ-WOJBJXKFSA-N 2 2 407.327 3.528 20 0 HHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868635 1008957399 /nfs/dbraw/zinc/95/73/99/1008957399.db2.gz VWGVRNVZTWPGQQ-WOJBJXKFSA-N 2 2 407.327 3.528 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045751 /nfs/dbraw/zinc/04/57/51/1009045751.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000543459925 1009045765 /nfs/dbraw/zinc/04/57/65/1009045765.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459925 1009045779 /nfs/dbraw/zinc/04/57/79/1009045779.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 2 404.687 3.862 20 0 HHADLP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459925 1009045790 /nfs/dbraw/zinc/04/57/90/1009045790.db2.gz GXWPTFVXFJZKIL-ZCQNZVIGSA-N 4 2 404.687 3.862 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000543537635 1009128965 /nfs/dbraw/zinc/12/89/65/1009128965.db2.gz CXRURXKYIRYRON-QHCPKHFHSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000543537635 1009128974 /nfs/dbraw/zinc/12/89/74/1009128974.db2.gz CXRURXKYIRYRON-QHCPKHFHSA-N 2 2 415.541 3.792 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c2)cc[nH+]1 ZINC000543588707 1009194288 /nfs/dbraw/zinc/19/42/88/1009194288.db2.gz QJUOZSUUWXRYJK-UHFFFAOYSA-N 2 2 407.562 3.924 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)C3(C2)CCOCC3)cc1 ZINC000549618091 1009246738 /nfs/dbraw/zinc/24/67/38/1009246738.db2.gz XBOISGSCRXLICS-JOCHJYFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)C3(C2)CCOCC3)cc1 ZINC000549618091 1009246754 /nfs/dbraw/zinc/24/67/54/1009246754.db2.gz XBOISGSCRXLICS-JOCHJYFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000549618091 1009246765 /nfs/dbraw/zinc/24/67/65/1009246765.db2.gz XBOISGSCRXLICS-JOCHJYFZSA-N 2 2 421.589 3.808 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)C3(C2)CCOCC3)cc1 ZINC000549618091 1009246778 /nfs/dbraw/zinc/24/67/78/1009246778.db2.gz XBOISGSCRXLICS-JOCHJYFZSA-N 2 2 421.589 3.808 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]c(N4CCCCC4)n3)CC2)cs1 ZINC000543693087 1009301515 /nfs/dbraw/zinc/30/15/15/1009301515.db2.gz YWIVTMAGXXDAIJ-UHFFFAOYSA-N 2 2 400.596 3.810 20 0 HHADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000520314377 1009442236 /nfs/dbraw/zinc/44/22/36/1009442236.db2.gz YVMWNESQDRCNGA-UHFFFAOYSA-N 2 2 407.518 3.558 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)CC2)cs1 ZINC000520348987 1009486667 /nfs/dbraw/zinc/48/66/67/1009486667.db2.gz LRBBFRAIZBGTJT-JOCHJYFZSA-N 2 2 414.619 3.727 20 0 HHADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H](c3ccccc3)[N@H+](C)CC)CC2)cs1 ZINC000520348987 1009486678 /nfs/dbraw/zinc/48/66/78/1009486678.db2.gz LRBBFRAIZBGTJT-JOCHJYFZSA-N 2 2 414.619 3.727 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941307 1009535177 /nfs/dbraw/zinc/53/51/77/1009535177.db2.gz ZLFNZVKWKLEBAV-NBHGPNQESA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941307 1009535187 /nfs/dbraw/zinc/53/51/87/1009535187.db2.gz ZLFNZVKWKLEBAV-NBHGPNQESA-N 2 2 424.511 3.509 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543978962 1009579538 /nfs/dbraw/zinc/57/95/38/1009579538.db2.gz HIRRWMLRNZPOLN-UHFFFAOYSA-N 2 2 401.599 3.740 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC3 ZINC000546603295 1009623647 /nfs/dbraw/zinc/62/36/47/1009623647.db2.gz ISMISRKUOIIVRB-FQEVSTJZSA-N 2 2 405.542 3.656 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035761 1009636499 /nfs/dbraw/zinc/63/64/99/1009636499.db2.gz VWNYSAWAFVAWRO-UXHICEINSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1ccc2ncsc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035761 1009636510 /nfs/dbraw/zinc/63/65/10/1009636510.db2.gz VWNYSAWAFVAWRO-UXHICEINSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550073668 1009676485 /nfs/dbraw/zinc/67/64/85/1009676485.db2.gz WBPXWQGOGNXDDQ-RTWAWAEBSA-N 2 2 412.578 3.556 20 0 HHADLP CN(C(=O)CCc1nc2ccccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550073668 1009676491 /nfs/dbraw/zinc/67/64/91/1009676491.db2.gz WBPXWQGOGNXDDQ-RTWAWAEBSA-N 2 2 412.578 3.556 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000546871403 1009833159 /nfs/dbraw/zinc/83/31/59/1009833159.db2.gz HITWVCNDXWSWMV-INIZCTEOSA-N 2 2 422.411 3.684 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000546871403 1009833176 /nfs/dbraw/zinc/83/31/76/1009833176.db2.gz HITWVCNDXWSWMV-INIZCTEOSA-N 2 2 422.411 3.684 20 0 HHADLP Cc1cc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000544359575 1009985593 /nfs/dbraw/zinc/98/55/93/1009985593.db2.gz GFASKVMWNPRFGZ-HSZRJFAPSA-N 2 2 405.521 3.555 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360099 1009986880 /nfs/dbraw/zinc/98/68/80/1009986880.db2.gz SLGUHGIRKMNCSO-UPVQGACJSA-N 2 2 403.526 3.856 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360099 1009986896 /nfs/dbraw/zinc/98/68/96/1009986896.db2.gz SLGUHGIRKMNCSO-UPVQGACJSA-N 2 2 403.526 3.856 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544416422 1010033070 /nfs/dbraw/zinc/03/30/70/1010033070.db2.gz ZOMQOKGTIPFWBG-MSOLQXFVSA-N 2 2 406.983 3.791 20 0 HHADLP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419770 1010036984 /nfs/dbraw/zinc/03/69/84/1010036984.db2.gz NBGUHSMNFWNYPQ-DLBZAZTESA-N 2 2 400.592 3.892 20 0 HHADLP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2s1 ZINC000544419770 1010037004 /nfs/dbraw/zinc/03/70/04/1010037004.db2.gz NBGUHSMNFWNYPQ-DLBZAZTESA-N 2 2 400.592 3.892 20 0 HHADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000521071549 1010088033 /nfs/dbraw/zinc/08/80/33/1010088033.db2.gz SKQVNPMLBHLBAV-UHFFFAOYSA-N 2 2 407.493 3.552 20 0 HHADLP Cc1csc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000544478417 1010101322 /nfs/dbraw/zinc/10/13/22/1010101322.db2.gz XTMZJMYPUGICCJ-QAPCUYQASA-N 2 2 406.983 3.709 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](c3cnn[nH]3)c3ccc(F)cc3)CC2)c1 ZINC000550887557 1010243064 /nfs/dbraw/zinc/24/30/64/1010243064.db2.gz YPZGMKZRBWZOLX-XMMPIXPASA-N 2 2 422.552 3.534 20 0 HHADLP C[N@H+](CCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1)Cc1ccccc1 ZINC000521330168 1010310509 /nfs/dbraw/zinc/31/05/09/1010310509.db2.gz DQKDLKHNNFHEFB-UHFFFAOYSA-N 2 2 408.521 3.730 20 0 HHADLP C[N@@H+](CCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1)Cc1ccccc1 ZINC000521330168 1010310523 /nfs/dbraw/zinc/31/05/23/1010310523.db2.gz DQKDLKHNNFHEFB-UHFFFAOYSA-N 2 2 408.521 3.730 20 0 HHADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000544740386 1010346093 /nfs/dbraw/zinc/34/60/93/1010346093.db2.gz BUGVHCIHBDNYAG-UHFFFAOYSA-N 2 2 418.526 3.691 20 0 HHADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CC1 ZINC000544740386 1010346102 /nfs/dbraw/zinc/34/61/02/1010346102.db2.gz BUGVHCIHBDNYAG-UHFFFAOYSA-N 2 2 418.526 3.691 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2C1 ZINC000544806575 1010400774 /nfs/dbraw/zinc/40/07/74/1010400774.db2.gz LYYFTRNOINLFKL-UHFFFAOYSA-N 2 2 406.574 3.750 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2C1 ZINC000544806575 1010400780 /nfs/dbraw/zinc/40/07/80/1010400780.db2.gz LYYFTRNOINLFKL-UHFFFAOYSA-N 2 2 406.574 3.750 20 0 HHADLP Cc1csc(C2([NH2+]CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CCC2)n1 ZINC000547971214 1010489530 /nfs/dbraw/zinc/48/95/30/1010489530.db2.gz ZWLJQDGLLJPKLK-UHFFFAOYSA-N 2 2 416.616 3.608 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522048259 1010777237 /nfs/dbraw/zinc/77/72/37/1010777237.db2.gz JTYRUTJSMOBMPA-HXUWFJFHSA-N 2 2 422.976 3.617 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522048259 1010777242 /nfs/dbraw/zinc/77/72/42/1010777242.db2.gz JTYRUTJSMOBMPA-HXUWFJFHSA-N 2 2 422.976 3.617 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1)[NH+]1CCOCC1 ZINC000522431686 1011006367 /nfs/dbraw/zinc/00/63/67/1011006367.db2.gz LBHNRRKJGFDRGR-KQVJYAISSA-N 2 2 414.594 3.808 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000522561765 1011080973 /nfs/dbraw/zinc/08/09/73/1011080973.db2.gz YHFFJUYKMMYLMQ-SFTDATJTSA-N 2 2 421.589 3.695 20 0 HHADLP Cn1cc[nH+]c1N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000536356950 1011564266 /nfs/dbraw/zinc/56/42/66/1011564266.db2.gz VDAJOTRCRKBTRW-UHFFFAOYSA-N 2 2 412.950 3.772 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372536 1011582245 /nfs/dbraw/zinc/58/22/45/1011582245.db2.gz VYWVYKITKFRCAR-OAHLLOKOSA-N 2 2 404.917 3.798 20 0 HHADLP CC(C)COC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536378141 1011586051 /nfs/dbraw/zinc/58/60/51/1011586051.db2.gz KBPVSKBSDHFPAE-QFIPXVFZSA-N 2 2 422.013 3.730 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116276 1011766528 /nfs/dbraw/zinc/76/65/28/1011766528.db2.gz PBEHWFSESNMEDK-IXDGSTSKSA-N 2 2 414.516 3.515 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116276 1011766552 /nfs/dbraw/zinc/76/65/52/1011766552.db2.gz PBEHWFSESNMEDK-IXDGSTSKSA-N 2 2 414.516 3.515 20 0 HHADLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c[nH+]1 ZINC000536621148 1011777560 /nfs/dbraw/zinc/77/75/60/1011777560.db2.gz BTJALFUOPSSZJW-UHFFFAOYSA-N 2 2 406.452 3.879 20 0 HHADLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c[nH+]1 ZINC000536621148 1011777575 /nfs/dbraw/zinc/77/75/75/1011777575.db2.gz BTJALFUOPSSZJW-UHFFFAOYSA-N 2 2 406.452 3.879 20 0 HHADLP C[C@@H](Oc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1)c1ccccc1 ZINC000523305516 1011783790 /nfs/dbraw/zinc/78/37/90/1011783790.db2.gz NGLNNRFMIHRLSF-LJQANCHMSA-N 2 2 422.573 3.510 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000536666760 1011820152 /nfs/dbraw/zinc/82/01/52/1011820152.db2.gz NYAZJJZMFBCWSH-REWPJTCUSA-N 2 2 404.618 3.910 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000536666760 1011820158 /nfs/dbraw/zinc/82/01/58/1011820158.db2.gz NYAZJJZMFBCWSH-REWPJTCUSA-N 2 2 404.618 3.910 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541162561 1011825000 /nfs/dbraw/zinc/82/50/00/1011825000.db2.gz AMJNCPZZTGIWAR-RYGJVYDSSA-N 2 2 418.944 3.968 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541162561 1011825014 /nfs/dbraw/zinc/82/50/14/1011825014.db2.gz AMJNCPZZTGIWAR-RYGJVYDSSA-N 2 2 418.944 3.968 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c1 ZINC000523436585 1011926148 /nfs/dbraw/zinc/92/61/48/1011926148.db2.gz VZBLNJYRUAIWBQ-OAQYLSRUSA-N 2 2 416.610 3.740 20 0 HHADLP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449565 1011947686 /nfs/dbraw/zinc/94/76/86/1011947686.db2.gz NRIPEXIUMLAOIK-SQJMNOBHSA-N 2 2 406.574 3.902 20 0 HHADLP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449565 1011947701 /nfs/dbraw/zinc/94/77/01/1011947701.db2.gz NRIPEXIUMLAOIK-SQJMNOBHSA-N 2 2 406.574 3.902 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000551985315 1012036353 /nfs/dbraw/zinc/03/63/53/1012036353.db2.gz PXAFQLQVHGWPDD-CQSZACIVSA-N 2 2 401.511 3.803 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000551985315 1012036365 /nfs/dbraw/zinc/03/63/65/1012036365.db2.gz PXAFQLQVHGWPDD-CQSZACIVSA-N 2 2 401.511 3.803 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000523559152 1012095272 /nfs/dbraw/zinc/09/52/72/1012095272.db2.gz HUQCIGHSDADTTJ-OAQYLSRUSA-N 2 2 401.570 3.905 20 0 HHADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000523559152 1012095292 /nfs/dbraw/zinc/09/52/92/1012095292.db2.gz HUQCIGHSDADTTJ-OAQYLSRUSA-N 2 2 401.570 3.905 20 0 HHADLP C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536866528 1012103414 /nfs/dbraw/zinc/10/34/14/1012103414.db2.gz VSLOGSIJEGIFJP-IBGZPJMESA-N 2 2 424.570 3.624 20 0 HHADLP Brc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc2c1OCCO2 ZINC000541388266 1012110470 /nfs/dbraw/zinc/11/04/70/1012110470.db2.gz ZQMNADILENVJNE-UHFFFAOYSA-N 2 2 406.305 3.757 20 0 HHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552097835 1012114440 /nfs/dbraw/zinc/11/44/40/1012114440.db2.gz OILAWPAIXHALGQ-FAXKSRBJSA-N 2 2 411.512 3.700 20 0 HHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552097835 1012114447 /nfs/dbraw/zinc/11/44/47/1012114447.db2.gz OILAWPAIXHALGQ-FAXKSRBJSA-N 2 2 411.512 3.700 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000552099260 1012115693 /nfs/dbraw/zinc/11/56/93/1012115693.db2.gz CGHMZQHRQLFUGY-KYLYQBOTSA-N 2 2 421.585 3.652 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000552099260 1012115705 /nfs/dbraw/zinc/11/57/05/1012115705.db2.gz CGHMZQHRQLFUGY-KYLYQBOTSA-N 2 2 421.585 3.652 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000536876072 1012118964 /nfs/dbraw/zinc/11/89/64/1012118964.db2.gz KYZXJKVGMOGPGY-WZONZLPQSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000536876072 1012118974 /nfs/dbraw/zinc/11/89/74/1012118974.db2.gz KYZXJKVGMOGPGY-WZONZLPQSA-N 2 2 415.603 3.792 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccs1 ZINC000541403629 1012136506 /nfs/dbraw/zinc/13/65/06/1012136506.db2.gz MYPUYWCTYFJRDQ-MJGOQNOKSA-N 2 2 400.592 3.974 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccs1 ZINC000541403625 1012136823 /nfs/dbraw/zinc/13/68/23/1012136823.db2.gz MYPUYWCTYFJRDQ-IEBWSBKVSA-N 2 2 400.592 3.974 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000523586366 1012138303 /nfs/dbraw/zinc/13/83/03/1012138303.db2.gz GVGMETGHZJNDAC-UHFFFAOYSA-N 2 2 416.957 3.547 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)s1 ZINC000552134265 1012154615 /nfs/dbraw/zinc/15/46/15/1012154615.db2.gz DCZRQKJDEWCXRM-FQEVSTJZSA-N 2 2 408.571 3.895 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)s1 ZINC000552134265 1012154625 /nfs/dbraw/zinc/15/46/25/1012154625.db2.gz DCZRQKJDEWCXRM-FQEVSTJZSA-N 2 2 408.571 3.895 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486706 1012259746 /nfs/dbraw/zinc/25/97/46/1012259746.db2.gz VKGHHWPVZVRGCF-SLFFLAALSA-N 2 2 412.688 3.743 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486706 1012259763 /nfs/dbraw/zinc/25/97/63/1012259763.db2.gz VKGHHWPVZVRGCF-SLFFLAALSA-N 2 2 412.688 3.743 20 0 HHADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000537016564 1012316815 /nfs/dbraw/zinc/31/68/15/1012316815.db2.gz OOGBJLLLLHRDCP-QZTJIDSGSA-N 2 2 403.592 3.894 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000537042848 1012363672 /nfs/dbraw/zinc/36/36/72/1012363672.db2.gz JIKDMAMTPFMINY-ZWKOTPCHSA-N 2 2 417.500 3.844 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000541732964 1012587243 /nfs/dbraw/zinc/58/72/43/1012587243.db2.gz CEQKNSQEXQJULS-HLAWJBBLSA-N 2 2 401.576 3.752 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238410 1012677540 /nfs/dbraw/zinc/67/75/40/1012677540.db2.gz WEHPEVAMZBOCSX-SFTDATJTSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238410 1012677549 /nfs/dbraw/zinc/67/75/49/1012677549.db2.gz WEHPEVAMZBOCSX-SFTDATJTSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000552878015 1012885572 /nfs/dbraw/zinc/88/55/72/1012885572.db2.gz ATCIKBNMONBCPH-NRFANRHFSA-N 2 2 403.530 3.631 20 0 HHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000537456742 1012952195 /nfs/dbraw/zinc/95/21/95/1012952195.db2.gz XCRJGPIRUIRLQB-UWJYYQICSA-N 2 2 405.550 3.593 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684187 1071804071 /nfs/dbraw/zinc/80/40/71/1071804071.db2.gz KSQRQOUYBBWRKL-PKTZIBPZSA-N 2 2 406.505 3.631 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684187 1071804091 /nfs/dbraw/zinc/80/40/91/1071804091.db2.gz KSQRQOUYBBWRKL-PKTZIBPZSA-N 2 2 406.505 3.631 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cc1OC ZINC000568771262 1071944681 /nfs/dbraw/zinc/94/46/81/1071944681.db2.gz OCCCWWPOPXNRPD-CJNGLKHVSA-N 2 2 412.559 3.991 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760535803 1072560759 /nfs/dbraw/zinc/56/07/59/1072560759.db2.gz YNCIXMYSQSBLJL-QFIPXVFZSA-N 2 2 422.573 3.602 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760535803 1072560772 /nfs/dbraw/zinc/56/07/72/1072560772.db2.gz YNCIXMYSQSBLJL-QFIPXVFZSA-N 2 2 422.573 3.602 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588268466 1072979390 /nfs/dbraw/zinc/97/93/90/1072979390.db2.gz NVONMMBBDAIUNM-IBGZPJMESA-N 2 2 401.942 3.789 20 0 HHADLP COc1ccc([C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+]2CCCCC2)cc1 ZINC000588273493 1072983340 /nfs/dbraw/zinc/98/33/40/1072983340.db2.gz KFFFNXSBKBYMSL-OAQYLSRUSA-N 2 2 411.550 3.535 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000588689808 1073140205 /nfs/dbraw/zinc/14/02/05/1073140205.db2.gz RQTPNFUFBWPYQS-CRAIPNDOSA-N 2 2 407.352 3.601 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000588689808 1073140209 /nfs/dbraw/zinc/14/02/09/1073140209.db2.gz RQTPNFUFBWPYQS-CRAIPNDOSA-N 2 2 407.352 3.601 20 0 HHADLP C[NH+](C)C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000555127787 1073194070 /nfs/dbraw/zinc/19/40/70/1073194070.db2.gz BIVCSVZESAFDRF-IBGZPJMESA-N 2 2 415.900 3.767 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000572408375 1073253523 /nfs/dbraw/zinc/25/35/23/1073253523.db2.gz UUAUUPDRWDNARU-SANMLTNESA-N 2 2 415.585 3.573 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000572408375 1073253528 /nfs/dbraw/zinc/25/35/28/1073253528.db2.gz UUAUUPDRWDNARU-SANMLTNESA-N 2 2 415.585 3.573 20 0 HHADLP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccccc21 ZINC000555232914 1073276675 /nfs/dbraw/zinc/27/66/75/1073276675.db2.gz PRSTYNASXKNNEF-VLCRHTCISA-N 2 2 408.546 3.816 20 0 HHADLP COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCCC2)cc1 ZINC000590149116 1073592015 /nfs/dbraw/zinc/59/20/15/1073592015.db2.gz BUJHVISYUFSGOD-TZIWHRDSSA-N 2 2 411.550 3.535 20 0 HHADLP CC[N@H+](CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000555559705 1073629762 /nfs/dbraw/zinc/62/97/62/1073629762.db2.gz LLQVGBHXLFAZMS-UHFFFAOYSA-N 2 2 403.954 3.878 20 0 HHADLP CC[N@@H+](CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000555559705 1073629768 /nfs/dbraw/zinc/62/97/68/1073629768.db2.gz LLQVGBHXLFAZMS-UHFFFAOYSA-N 2 2 403.954 3.878 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2=O)ccc1Br ZINC000555598147 1073664142 /nfs/dbraw/zinc/66/41/42/1073664142.db2.gz PEKQPBJIEIDRDS-CTNGQTDRSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)C2=O)ccc1Br ZINC000555598147 1073664148 /nfs/dbraw/zinc/66/41/48/1073664148.db2.gz PEKQPBJIEIDRDS-CTNGQTDRSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598147 1073664153 /nfs/dbraw/zinc/66/41/53/1073664153.db2.gz PEKQPBJIEIDRDS-CTNGQTDRSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598147 1073664160 /nfs/dbraw/zinc/66/41/60/1073664160.db2.gz PEKQPBJIEIDRDS-CTNGQTDRSA-N 2 2 420.395 3.671 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](C)CC2 ZINC000591093586 1074107634 /nfs/dbraw/zinc/10/76/34/1074107634.db2.gz DMMPPMKDSCTYOM-INIZCTEOSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](C)CC2 ZINC000591093586 1074107637 /nfs/dbraw/zinc/10/76/37/1074107637.db2.gz DMMPPMKDSCTYOM-INIZCTEOSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000591093586 1074107639 /nfs/dbraw/zinc/10/76/39/1074107639.db2.gz DMMPPMKDSCTYOM-INIZCTEOSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000591093586 1074107643 /nfs/dbraw/zinc/10/76/43/1074107643.db2.gz DMMPPMKDSCTYOM-INIZCTEOSA-N 2 2 414.575 3.637 20 0 HHADLP CC(C)[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000591202686 1074169087 /nfs/dbraw/zinc/16/90/87/1074169087.db2.gz NBIXBXJOLLIYDQ-NRFANRHFSA-N 2 2 408.550 3.772 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000591520791 1074361492 /nfs/dbraw/zinc/36/14/92/1074361492.db2.gz BGXQWRDTCBMHOE-AUSIDOKSSA-N 2 2 410.562 3.813 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522929 1074363625 /nfs/dbraw/zinc/36/36/25/1074363625.db2.gz YZBRHKGQOQOVOE-LJQANCHMSA-N 2 2 402.583 3.664 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522929 1074363633 /nfs/dbraw/zinc/36/36/33/1074363633.db2.gz YZBRHKGQOQOVOE-LJQANCHMSA-N 2 2 402.583 3.664 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591524038 1074364859 /nfs/dbraw/zinc/36/48/59/1074364859.db2.gz QXZCNRMHMIDDSQ-UZLBHIALSA-N 2 2 402.564 3.566 20 0 HHADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000591524572 1074366822 /nfs/dbraw/zinc/36/68/22/1074366822.db2.gz YCKYQFPVDQFEPP-FQEVSTJZSA-N 2 2 404.599 3.912 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592486906 1074768187 /nfs/dbraw/zinc/76/81/87/1074768187.db2.gz FMAGODBLWDOXJK-OXQOHEQNSA-N 2 2 422.976 3.932 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592486906 1074768192 /nfs/dbraw/zinc/76/81/92/1074768192.db2.gz FMAGODBLWDOXJK-OXQOHEQNSA-N 2 2 422.976 3.932 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000592818305 1075121526 /nfs/dbraw/zinc/12/15/26/1075121526.db2.gz HABZYHHIHDAQBI-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)s1 ZINC000592818305 1075121528 /nfs/dbraw/zinc/12/15/28/1075121528.db2.gz HABZYHHIHDAQBI-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000592818305 1075121531 /nfs/dbraw/zinc/12/15/31/1075121531.db2.gz HABZYHHIHDAQBI-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000592818305 1075121533 /nfs/dbraw/zinc/12/15/33/1075121533.db2.gz HABZYHHIHDAQBI-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP C[C@@H]1[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000574482937 1075254104 /nfs/dbraw/zinc/25/41/04/1075254104.db2.gz YPGUKFZZSNTWEA-CTNGQTDRSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]1[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000574482937 1075254109 /nfs/dbraw/zinc/25/41/09/1075254109.db2.gz YPGUKFZZSNTWEA-CTNGQTDRSA-N 2 2 419.529 3.747 20 0 HHADLP CC(C)COc1ccc(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601472872 1075618257 /nfs/dbraw/zinc/61/82/57/1075618257.db2.gz YMXCPYZMNJKPHZ-JOCHJYFZSA-N 2 2 415.622 3.626 20 0 HHADLP CC(C)COc1ccc(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601472872 1075618260 /nfs/dbraw/zinc/61/82/60/1075618260.db2.gz YMXCPYZMNJKPHZ-JOCHJYFZSA-N 2 2 415.622 3.626 20 0 HHADLP CN(C(=O)c1occc1CSc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475153 1075619329 /nfs/dbraw/zinc/61/93/29/1075619329.db2.gz VUDYMLVNLYNRLY-HXUWFJFHSA-N 2 2 413.587 3.812 20 0 HHADLP CN(C(=O)c1occc1CSc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475153 1075619330 /nfs/dbraw/zinc/61/93/30/1075619330.db2.gz VUDYMLVNLYNRLY-HXUWFJFHSA-N 2 2 413.587 3.812 20 0 HHADLP CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477132 1075619548 /nfs/dbraw/zinc/61/95/48/1075619548.db2.gz CJWSZKUKYBOOPQ-DEOSSOPVSA-N 2 2 405.586 3.836 20 0 HHADLP CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477132 1075619550 /nfs/dbraw/zinc/61/95/50/1075619550.db2.gz CJWSZKUKYBOOPQ-DEOSSOPVSA-N 2 2 405.586 3.836 20 0 HHADLP CN(C(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476429 1075619622 /nfs/dbraw/zinc/61/96/22/1075619622.db2.gz DVORDEWCICOSFW-KRWDZBQOSA-N 2 2 421.010 3.509 20 0 HHADLP CN(C(=O)CCc1nc2cc(Cl)ccc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476429 1075619626 /nfs/dbraw/zinc/61/96/26/1075619626.db2.gz DVORDEWCICOSFW-KRWDZBQOSA-N 2 2 421.010 3.509 20 0 HHADLP CN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478767 1075621401 /nfs/dbraw/zinc/62/14/01/1075621401.db2.gz GUHAGDYIRWWRAQ-QHCPKHFHSA-N 2 2 413.606 3.886 20 0 HHADLP CN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478767 1075621405 /nfs/dbraw/zinc/62/14/05/1075621405.db2.gz GUHAGDYIRWWRAQ-QHCPKHFHSA-N 2 2 413.606 3.886 20 0 HHADLP CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478622 1075621474 /nfs/dbraw/zinc/62/14/74/1075621474.db2.gz QMXPGJMRQPZEAL-GOSISDBHSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478622 1075621476 /nfs/dbraw/zinc/62/14/76/1075621476.db2.gz QMXPGJMRQPZEAL-GOSISDBHSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479623 1075621535 /nfs/dbraw/zinc/62/15/35/1075621535.db2.gz YNWNULQCBZAMBD-OAHLLOKOSA-N 2 2 409.958 3.934 20 0 HHADLP CN(C(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479623 1075621538 /nfs/dbraw/zinc/62/15/38/1075621538.db2.gz YNWNULQCBZAMBD-OAHLLOKOSA-N 2 2 409.958 3.934 20 0 HHADLP CN(C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669607358 1075639800 /nfs/dbraw/zinc/63/98/00/1075639800.db2.gz GEGOGAADFIREMV-JTHBVZDNSA-N 2 2 412.622 3.900 20 0 HHADLP CN(C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669607358 1075639802 /nfs/dbraw/zinc/63/98/02/1075639802.db2.gz GEGOGAADFIREMV-JTHBVZDNSA-N 2 2 412.622 3.900 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)C2)CC1 ZINC000602204192 1075712391 /nfs/dbraw/zinc/71/23/91/1075712391.db2.gz TZOKDDKWEGMLQQ-LJQANCHMSA-N 2 2 423.523 3.802 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)C2)CC1 ZINC000602204192 1075712395 /nfs/dbraw/zinc/71/23/95/1075712395.db2.gz TZOKDDKWEGMLQQ-LJQANCHMSA-N 2 2 423.523 3.802 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(SCc4ccccc4)cc3)C2)CC1 ZINC000602204519 1075713602 /nfs/dbraw/zinc/71/36/02/1075713602.db2.gz LNAVNIHREGQPAZ-NRFANRHFSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(SCc4ccccc4)cc3)C2)CC1 ZINC000602204519 1075713606 /nfs/dbraw/zinc/71/36/06/1075713606.db2.gz LNAVNIHREGQPAZ-NRFANRHFSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)C2)CC1 ZINC000602200675 1075717074 /nfs/dbraw/zinc/71/70/74/1075717074.db2.gz GUJXAGXZTOKJCH-HSZRJFAPSA-N 2 2 417.597 3.865 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCc3ccc4c(c3)-c3ccccc3C4)C2)CC1 ZINC000602200675 1075717077 /nfs/dbraw/zinc/71/70/77/1075717077.db2.gz GUJXAGXZTOKJCH-HSZRJFAPSA-N 2 2 417.597 3.865 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164664477 719349792 /nfs/dbraw/zinc/34/97/92/719349792.db2.gz VIEQRAFFYBKUTK-UHFFFAOYSA-N 2 2 416.573 3.842 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164664477 719349794 /nfs/dbraw/zinc/34/97/94/719349794.db2.gz VIEQRAFFYBKUTK-UHFFFAOYSA-N 2 2 416.573 3.842 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164725512 720316994 /nfs/dbraw/zinc/31/69/94/720316994.db2.gz WKWAMUQUZWHGPG-RBBKRZOGSA-N 2 2 424.593 3.646 20 0 HHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1 ZINC001164725512 720316999 /nfs/dbraw/zinc/31/69/99/720316999.db2.gz WKWAMUQUZWHGPG-RBBKRZOGSA-N 2 2 424.593 3.646 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164839371 720579640 /nfs/dbraw/zinc/57/96/40/720579640.db2.gz NJXJRGLPCXZDNU-SXWKCWPCSA-N 2 2 405.546 3.818 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164839371 720579654 /nfs/dbraw/zinc/57/96/54/720579654.db2.gz NJXJRGLPCXZDNU-SXWKCWPCSA-N 2 2 405.546 3.818 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842847 720707095 /nfs/dbraw/zinc/70/70/95/720707095.db2.gz ZHSFZPJSFGHZGZ-NRFANRHFSA-N 2 2 408.546 3.608 20 0 HHADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842847 720707102 /nfs/dbraw/zinc/70/71/02/720707102.db2.gz ZHSFZPJSFGHZGZ-NRFANRHFSA-N 2 2 408.546 3.608 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740220 720826288 /nfs/dbraw/zinc/82/62/88/720826288.db2.gz JPVCKQZDWQMVKA-SXWKCWPCSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740220 720826290 /nfs/dbraw/zinc/82/62/90/720826290.db2.gz JPVCKQZDWQMVKA-SXWKCWPCSA-N 2 2 402.546 3.514 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(C)C)c[nH+]1)CC2 ZINC001164784947 721461023 /nfs/dbraw/zinc/46/10/23/721461023.db2.gz KXUGXQKFNZQXIY-QFIPXVFZSA-N 2 2 401.595 3.939 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(C)C)c[nH+]1)CC2 ZINC001164784947 721461024 /nfs/dbraw/zinc/46/10/24/721461024.db2.gz KXUGXQKFNZQXIY-QFIPXVFZSA-N 2 2 401.595 3.939 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938654 721921967 /nfs/dbraw/zinc/92/19/67/721921967.db2.gz QBTKOPJBKNDLIM-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCCC5)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938654 721921969 /nfs/dbraw/zinc/92/19/69/721921969.db2.gz QBTKOPJBKNDLIM-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCCC5)nc(C)[nH+]4)CC3)C2)cc1 ZINC001164938654 721921973 /nfs/dbraw/zinc/92/19/73/721921973.db2.gz QBTKOPJBKNDLIM-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCCC5)nc(C)[nH+]4)CC3)C2)cc1 ZINC001164938654 721921976 /nfs/dbraw/zinc/92/19/76/721921976.db2.gz QBTKOPJBKNDLIM-UHFFFAOYSA-N 2 2 421.589 3.565 20 0 HHADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164950468 722006506 /nfs/dbraw/zinc/00/65/06/722006506.db2.gz COVDTMHZDWRNDU-UHFFFAOYSA-N 2 2 414.557 3.803 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1 ZINC001164979887 722129054 /nfs/dbraw/zinc/12/90/54/722129054.db2.gz QYSKEZPLNHIKFL-RDPSFJRHSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1 ZINC001164979887 722129057 /nfs/dbraw/zinc/12/90/57/722129057.db2.gz QYSKEZPLNHIKFL-RDPSFJRHSA-N 2 2 418.541 3.674 20 0 HHADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)[nH+]2)CC1 ZINC001164977359 722171174 /nfs/dbraw/zinc/17/11/74/722171174.db2.gz MNJFGXUYQJBLGT-TZBSWOFLSA-N 2 2 404.558 3.535 20 0 HHADLP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301213054 970812234 /nfs/dbraw/zinc/81/22/34/970812234.db2.gz YFCZVXZNNPOWBK-INIZCTEOSA-N 2 2 403.368 3.604 20 0 HHADLP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301213054 970812241 /nfs/dbraw/zinc/81/22/41/970812241.db2.gz YFCZVXZNNPOWBK-INIZCTEOSA-N 2 2 403.368 3.604 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)CC1 ZINC000301231664 970822103 /nfs/dbraw/zinc/82/21/03/970822103.db2.gz HZJFOPWELFJLGT-QFIPXVFZSA-N 2 2 409.578 3.529 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)CC1 ZINC000301231664 970822109 /nfs/dbraw/zinc/82/21/09/970822109.db2.gz HZJFOPWELFJLGT-QFIPXVFZSA-N 2 2 409.578 3.529 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000301247951 970831440 /nfs/dbraw/zinc/83/14/40/970831440.db2.gz OSDRMQJJTJTGTB-FQEVSTJZSA-N 2 2 409.578 3.529 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000301247951 970831453 /nfs/dbraw/zinc/83/14/53/970831453.db2.gz OSDRMQJJTJTGTB-FQEVSTJZSA-N 2 2 409.578 3.529 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541530 1013057247 /nfs/dbraw/zinc/05/72/47/1013057247.db2.gz RDFCLSCWYIIREX-ADHNFCLRSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541530 1013057259 /nfs/dbraw/zinc/05/72/59/1013057259.db2.gz RDFCLSCWYIIREX-ADHNFCLRSA-N 2 2 422.658 3.559 20 0 HHADLP CCOc1cc2[nH+]ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2cc1OCC ZINC000301824671 971077054 /nfs/dbraw/zinc/07/70/54/971077054.db2.gz IIEALBLXGVDOQD-YOFSQIOKSA-N 3 2 424.589 3.779 20 0 HHADLP CCOc1cc2[nH+]ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2cc1OCC ZINC000301824671 971077069 /nfs/dbraw/zinc/07/70/69/971077069.db2.gz IIEALBLXGVDOQD-YOFSQIOKSA-N 3 2 424.589 3.779 20 0 HHADLP C[C@H]1C[NH+](Cc2ccc(CNc3[nH+]cnc4c3cnn4C(C)(C)C)cc2)C[C@H](C)O1 ZINC000301845809 971084308 /nfs/dbraw/zinc/08/43/08/971084308.db2.gz TVIIZMDYGXZGGM-IRXDYDNUSA-N 2 2 408.550 3.803 20 0 HHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)c(OC)c1OC ZINC000302178912 971199033 /nfs/dbraw/zinc/19/90/33/971199033.db2.gz YICZQJWCYVWOLB-UHFFFAOYSA-N 2 2 407.514 3.891 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302795020 971320927 /nfs/dbraw/zinc/32/09/27/971320927.db2.gz OHXAOERRAFDVTL-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302795020 971320932 /nfs/dbraw/zinc/32/09/32/971320932.db2.gz OHXAOERRAFDVTL-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302795020 971320940 /nfs/dbraw/zinc/32/09/40/971320940.db2.gz OHXAOERRAFDVTL-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302795020 971320943 /nfs/dbraw/zinc/32/09/43/971320943.db2.gz OHXAOERRAFDVTL-DENIHFKCSA-N 2 2 409.578 3.814 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302902831 971382425 /nfs/dbraw/zinc/38/24/25/971382425.db2.gz RCQRSYIMCUPLAG-LEWJYISDSA-N 2 2 409.603 3.521 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cc1 ZINC000302902831 971382430 /nfs/dbraw/zinc/38/24/30/971382430.db2.gz RCQRSYIMCUPLAG-LEWJYISDSA-N 2 2 409.603 3.521 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000303039138 971470566 /nfs/dbraw/zinc/47/05/66/971470566.db2.gz PNIZQCGZODXPDL-UHFFFAOYSA-N 2 2 423.557 3.533 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[NH+]2CCCC2)o1 ZINC000303128659 971517575 /nfs/dbraw/zinc/51/75/75/971517575.db2.gz NVJFJGZCDOIRFV-JOCHJYFZSA-N 2 2 410.562 3.561 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178240 1013116448 /nfs/dbraw/zinc/11/64/48/1013116448.db2.gz ADQUOJGLKZNKMS-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178240 1013116456 /nfs/dbraw/zinc/11/64/56/1013116456.db2.gz ADQUOJGLKZNKMS-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP Clc1cccc(-n2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nn2)c1Cl ZINC000537618434 1013160024 /nfs/dbraw/zinc/16/00/24/1013160024.db2.gz ARARCVQMWHATOT-UHFFFAOYSA-N 2 2 424.376 3.651 20 0 HHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553221630 1013188626 /nfs/dbraw/zinc/18/86/26/1013188626.db2.gz KKVFDKUEVJOSRN-WWPVKYPJSA-N 2 2 402.542 3.959 20 0 HHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553221630 1013188635 /nfs/dbraw/zinc/18/86/35/1013188635.db2.gz KKVFDKUEVJOSRN-WWPVKYPJSA-N 2 2 402.542 3.959 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000537761067 1013323910 /nfs/dbraw/zinc/32/39/10/1013323910.db2.gz VZPFRMQHGAQACK-MHECFPHRSA-N 2 2 418.541 3.556 20 0 HHADLP CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015548567 962790928 /nfs/dbraw/zinc/79/09/28/962790928.db2.gz HXJYOUOOMAMFNS-XMMPIXPASA-N 2 2 423.557 3.693 20 0 HHADLP CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000015548567 962790945 /nfs/dbraw/zinc/79/09/45/962790945.db2.gz HXJYOUOOMAMFNS-XMMPIXPASA-N 2 2 423.557 3.693 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cn2)CC1 ZINC000542480776 1013428863 /nfs/dbraw/zinc/42/88/63/1013428863.db2.gz CJZPFVHLVWWIDL-XMMPIXPASA-N 2 2 405.521 3.637 20 0 HHADLP CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000542501565 1013446131 /nfs/dbraw/zinc/44/61/31/1013446131.db2.gz BLSKKHHZWBVDFY-UHFFFAOYSA-N 2 2 402.542 3.850 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC000050800661 964401438 /nfs/dbraw/zinc/40/14/38/964401438.db2.gz HTHHCICOWZXRHS-UHFFFAOYSA-N 2 2 418.994 3.752 20 0 HHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537952947 1013533691 /nfs/dbraw/zinc/53/36/91/1013533691.db2.gz ZESMYVHEVSWGLF-XXBNENTESA-N 2 2 424.589 3.815 20 0 HHADLP CCCC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000537976043 1013551770 /nfs/dbraw/zinc/55/17/70/1013551770.db2.gz JRVRGFBMEYGFSW-FCHUYYIVSA-N 2 2 409.578 3.803 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)c2)cc[nH+]1 ZINC000542619464 1013555028 /nfs/dbraw/zinc/55/50/28/1013555028.db2.gz TYVKYCLLYNUIJO-JOCHJYFZSA-N 2 2 421.589 3.981 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1F ZINC000542665805 1013591759 /nfs/dbraw/zinc/59/17/59/1013591759.db2.gz DEDGMBUWAZSVQH-MRXNPFEDSA-N 2 2 401.507 3.580 20 0 HHADLP Cc1c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)sc2nc(C)nc(C)c12 ZINC000030631899 965749793 /nfs/dbraw/zinc/74/97/93/965749793.db2.gz ADLWCHXFOXEUNS-UHFFFAOYSA-N 2 2 409.603 3.918 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058880386 965938824 /nfs/dbraw/zinc/93/88/24/965938824.db2.gz CAFWHRBNWFKEFI-QFIPXVFZSA-N 2 2 401.620 3.547 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1C ZINC000060564165 966207477 /nfs/dbraw/zinc/20/74/77/966207477.db2.gz UZFPEMVHODEKOO-UHFFFAOYSA-N 2 2 402.583 3.893 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000061521122 966487650 /nfs/dbraw/zinc/48/76/50/966487650.db2.gz VQYGWPPVTKOXEK-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894746 966506147 /nfs/dbraw/zinc/50/61/47/966506147.db2.gz DKOAVMRTGYGEAH-UHFFFAOYSA-N 2 2 403.530 3.858 20 0 HHADLP COc1cccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)c1 ZINC000056894491 966506801 /nfs/dbraw/zinc/50/68/01/966506801.db2.gz WXMLCDDRTWRXLK-HSZRJFAPSA-N 2 2 419.529 3.517 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254295 966632035 /nfs/dbraw/zinc/63/20/35/966632035.db2.gz MVTXLKXSUROHKR-AWEZNQCLSA-N 2 2 402.340 3.874 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000538120632 1013682516 /nfs/dbraw/zinc/68/25/16/1013682516.db2.gz IQJZOHKQQHIIPN-UHFFFAOYSA-N 2 2 414.513 3.696 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000538120632 1013682520 /nfs/dbraw/zinc/68/25/20/1013682520.db2.gz IQJZOHKQQHIIPN-UHFFFAOYSA-N 2 2 414.513 3.696 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000043391310 966963770 /nfs/dbraw/zinc/96/37/70/966963770.db2.gz VXZVUNJJOGDQMO-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000043391310 966963777 /nfs/dbraw/zinc/96/37/77/966963777.db2.gz VXZVUNJJOGDQMO-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP COc1cccc([C@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)c1 ZINC000043517569 966988764 /nfs/dbraw/zinc/98/87/64/966988764.db2.gz QDIXKPODGLCQRZ-IBGZPJMESA-N 2 2 417.579 3.562 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000043547112 966996341 /nfs/dbraw/zinc/99/63/41/966996341.db2.gz RXBJHPFEHNEQBH-PKOBYXMFSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000043547112 966996349 /nfs/dbraw/zinc/99/63/49/966996349.db2.gz RXBJHPFEHNEQBH-PKOBYXMFSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000043547112 966996354 /nfs/dbraw/zinc/99/63/54/966996354.db2.gz RXBJHPFEHNEQBH-PKOBYXMFSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000043547112 966996359 /nfs/dbraw/zinc/99/63/59/966996359.db2.gz RXBJHPFEHNEQBH-PKOBYXMFSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908965 1013693496 /nfs/dbraw/zinc/69/34/96/1013693496.db2.gz CLGYBUUYCHSWRO-GCJKJVERSA-N 2 2 410.587 3.652 20 0 HHADLP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908965 1013693501 /nfs/dbraw/zinc/69/35/01/1013693501.db2.gz CLGYBUUYCHSWRO-GCJKJVERSA-N 2 2 410.587 3.652 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000043800651 967036354 /nfs/dbraw/zinc/03/63/54/967036354.db2.gz XOOCZXFHMLVEDF-NRFANRHFSA-N 2 2 415.969 3.516 20 0 HHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000542844928 1013704033 /nfs/dbraw/zinc/70/40/33/1013704033.db2.gz ZUYCUZQZYGDWIZ-OAQYLSRUSA-N 2 2 408.590 3.894 20 0 HHADLP CSC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542844970 1013704072 /nfs/dbraw/zinc/70/40/72/1013704072.db2.gz PZJRBQJAVYBUIO-GOSISDBHSA-N 2 2 417.541 3.642 20 0 HHADLP O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000064507750 967218122 /nfs/dbraw/zinc/21/81/22/967218122.db2.gz OXVVBALSNUQBNP-NRFANRHFSA-N 2 2 401.601 3.500 20 0 HHADLP O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000064507750 967218129 /nfs/dbraw/zinc/21/81/29/967218129.db2.gz OXVVBALSNUQBNP-NRFANRHFSA-N 2 2 401.601 3.500 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000065304112 967431887 /nfs/dbraw/zinc/43/18/87/967431887.db2.gz RGLOKVWSMNCGCT-QGZVFWFLSA-N 2 2 410.562 3.938 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000065304112 967431892 /nfs/dbraw/zinc/43/18/92/967431892.db2.gz RGLOKVWSMNCGCT-QGZVFWFLSA-N 2 2 410.562 3.938 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000046367098 967767092 /nfs/dbraw/zinc/76/70/92/967767092.db2.gz WEMRXIBVAGUKPS-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000046367098 967767099 /nfs/dbraw/zinc/76/70/99/967767099.db2.gz WEMRXIBVAGUKPS-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046367098 967767104 /nfs/dbraw/zinc/76/71/04/967767104.db2.gz WEMRXIBVAGUKPS-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000046367098 967767109 /nfs/dbraw/zinc/76/71/09/967767109.db2.gz WEMRXIBVAGUKPS-WCIQWLHISA-N 2 2 402.583 3.538 20 0 HHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047297365 968129362 /nfs/dbraw/zinc/12/93/62/968129362.db2.gz QFKVKSGIXWBLPZ-UHFFFAOYSA-N 2 2 416.529 3.875 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000538235663 1013784089 /nfs/dbraw/zinc/78/40/89/1013784089.db2.gz GTPSFKBHXHOMTD-LJQANCHMSA-N 2 2 420.582 3.805 20 0 HHADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264474 1013806067 /nfs/dbraw/zinc/80/60/67/1013806067.db2.gz WOTQPTTUFUFTEJ-YADHBBJMSA-N 2 2 408.590 3.728 20 0 HHADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000538264474 1013806072 /nfs/dbraw/zinc/80/60/72/1013806072.db2.gz WOTQPTTUFUFTEJ-YADHBBJMSA-N 2 2 408.590 3.728 20 0 HHADLP O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065966336 968741822 /nfs/dbraw/zinc/74/18/22/968741822.db2.gz FICGCLBGQMRFIG-UHFFFAOYSA-N 2 2 416.569 3.692 20 0 HHADLP O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000065966297 968741883 /nfs/dbraw/zinc/74/18/83/968741883.db2.gz WUQXWFKUWUCRJW-UHFFFAOYSA-N 2 2 422.598 3.753 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C[C@H](C)O1 ZINC000071941205 968899955 /nfs/dbraw/zinc/89/99/55/968899955.db2.gz HZTKFDHGRGGLEI-SFTDATJTSA-N 2 2 424.589 3.892 20 0 HHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000139922185 970053739 /nfs/dbraw/zinc/05/37/39/970053739.db2.gz LLTUQARMSODRAM-HXUWFJFHSA-N 2 2 415.607 3.711 20 0 HHADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1OC(F)F ZINC000215996534 970059508 /nfs/dbraw/zinc/05/95/08/970059508.db2.gz MUFVNKQQNBXNJC-LJQANCHMSA-N 2 2 424.536 3.597 20 0 HHADLP CCCOc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000216002456 970059676 /nfs/dbraw/zinc/05/96/76/970059676.db2.gz YBLPTMMDDRDBRT-UHFFFAOYSA-N 2 2 408.974 3.809 20 0 HHADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236698068 970157500 /nfs/dbraw/zinc/15/75/00/970157500.db2.gz UVYWNBGXQUDYLA-UHFFFAOYSA-N 2 2 403.574 3.764 20 0 HHADLP CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1OC ZINC000236995741 970202885 /nfs/dbraw/zinc/20/28/85/970202885.db2.gz WRPXFOVLFMZMCR-UHFFFAOYSA-N 2 2 403.954 3.789 20 0 HHADLP Cn1c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)nc2ccccc21 ZINC000237101265 970222094 /nfs/dbraw/zinc/22/20/94/970222094.db2.gz JKAZEKQDJFBOCU-UHFFFAOYSA-N 2 2 417.479 3.634 20 0 HHADLP CC(=O)N(c1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cs1)c1ccc(F)cc1 ZINC000237430413 970284585 /nfs/dbraw/zinc/28/45/85/970284585.db2.gz MVFKYDUSHARHMB-AWEZNQCLSA-N 2 2 401.511 3.898 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(C3SCCS3)cc2)([NH+]2CCCCC2)CC1 ZINC000303972937 972560365 /nfs/dbraw/zinc/56/03/65/972560365.db2.gz UGXRNMUPIOSKSQ-UHFFFAOYSA-N 2 2 419.660 3.845 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000554843904 1014071838 /nfs/dbraw/zinc/07/18/38/1014071838.db2.gz RKOVWFBWFCDFDA-JHLQHZFVSA-N 2 2 409.618 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000554843904 1014071840 /nfs/dbraw/zinc/07/18/40/1014071840.db2.gz RKOVWFBWFCDFDA-JHLQHZFVSA-N 2 2 409.618 3.962 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628885 973075421 /nfs/dbraw/zinc/07/54/21/973075421.db2.gz DMBVCSYLFLIVET-CTNGQTDRSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628885 973075440 /nfs/dbraw/zinc/07/54/40/973075440.db2.gz DMBVCSYLFLIVET-CTNGQTDRSA-N 2 2 413.610 3.906 20 0 HHADLP C[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000409716021 973190303 /nfs/dbraw/zinc/19/03/03/973190303.db2.gz JXAJWGVUOWBILY-WMLDXEAASA-N 2 2 421.358 3.599 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000425985673 974096999 /nfs/dbraw/zinc/09/69/99/974096999.db2.gz ABJLFHDJKSTZRR-KDURUIRLSA-N 2 2 418.541 3.550 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000425985673 974097013 /nfs/dbraw/zinc/09/70/13/974097013.db2.gz ABJLFHDJKSTZRR-KDURUIRLSA-N 2 2 418.541 3.550 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000425985673 974097022 /nfs/dbraw/zinc/09/70/22/974097022.db2.gz ABJLFHDJKSTZRR-KDURUIRLSA-N 2 2 418.541 3.550 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000425985673 974097040 /nfs/dbraw/zinc/09/70/40/974097040.db2.gz ABJLFHDJKSTZRR-KDURUIRLSA-N 2 2 418.541 3.550 20 0 HHADLP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425996367 974110192 /nfs/dbraw/zinc/11/01/92/974110192.db2.gz PCUCSNYDUYWAHU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425996367 974110194 /nfs/dbraw/zinc/11/01/94/974110194.db2.gz PCUCSNYDUYWAHU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425996367 974110201 /nfs/dbraw/zinc/11/02/01/974110201.db2.gz PCUCSNYDUYWAHU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425996367 974110205 /nfs/dbraw/zinc/11/02/05/974110205.db2.gz PCUCSNYDUYWAHU-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000426054021 974176228 /nfs/dbraw/zinc/17/62/28/974176228.db2.gz FFEFUXVRLUYAOF-PKTZIBPZSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@H](C)O1 ZINC000426770008 974647380 /nfs/dbraw/zinc/64/73/80/974647380.db2.gz NWKZKZOMWNSXMV-SVMVAKDDSA-N 2 2 419.997 3.657 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@H](C)O1 ZINC000426770008 974647383 /nfs/dbraw/zinc/64/73/83/974647383.db2.gz NWKZKZOMWNSXMV-SVMVAKDDSA-N 2 2 419.997 3.657 20 0 HHADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426788448 974660203 /nfs/dbraw/zinc/66/02/03/974660203.db2.gz NIDZZDZQGLLHAW-ZACQAIPSSA-N 2 2 409.521 3.503 20 0 HHADLP C[C@H](CSc1ccc(F)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426844638 974707068 /nfs/dbraw/zinc/70/70/68/974707068.db2.gz DRMUWQHWTBNHGF-GOSISDBHSA-N 2 2 407.599 3.620 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689975 975239635 /nfs/dbraw/zinc/23/96/35/975239635.db2.gz KWLWKAJXCPORLJ-UCNVEGJOSA-N 2 2 419.491 3.950 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689975 975239642 /nfs/dbraw/zinc/23/96/42/975239642.db2.gz KWLWKAJXCPORLJ-UCNVEGJOSA-N 2 2 419.491 3.950 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)cc1F ZINC000427859067 975324411 /nfs/dbraw/zinc/32/44/11/975324411.db2.gz NAAKARRAAWAYSJ-IUODEOHRSA-N 2 2 408.319 3.692 20 0 HHADLP Cn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443706 975755423 /nfs/dbraw/zinc/75/54/23/975755423.db2.gz ZWCQLAGFEUSKTB-XMMPIXPASA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443706 975755429 /nfs/dbraw/zinc/75/54/29/975755429.db2.gz ZWCQLAGFEUSKTB-XMMPIXPASA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443706 975755435 /nfs/dbraw/zinc/75/54/35/975755435.db2.gz ZWCQLAGFEUSKTB-XMMPIXPASA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443706 975755442 /nfs/dbraw/zinc/75/54/42/975755442.db2.gz ZWCQLAGFEUSKTB-XMMPIXPASA-N 2 2 424.976 3.809 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)sc2C1 ZINC000428538828 975839225 /nfs/dbraw/zinc/83/92/25/975839225.db2.gz YEJXSYVOJMNZOF-LJQANCHMSA-N 2 2 416.660 3.617 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CSCCN3Cc3ccccc3)sc2C1 ZINC000428538828 975839233 /nfs/dbraw/zinc/83/92/33/975839233.db2.gz YEJXSYVOJMNZOF-LJQANCHMSA-N 2 2 416.660 3.617 20 0 HHADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000428544113 975848261 /nfs/dbraw/zinc/84/82/61/975848261.db2.gz TWFQBWSMQYIDPQ-OAHLLOKOSA-N 2 2 406.349 3.637 20 0 HHADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000428546282 975851630 /nfs/dbraw/zinc/85/16/30/975851630.db2.gz XGYPCXKLVXZDQH-LZBANZJXSA-N 2 2 402.579 3.768 20 0 HHADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000428546282 975851643 /nfs/dbraw/zinc/85/16/43/975851643.db2.gz XGYPCXKLVXZDQH-LZBANZJXSA-N 2 2 402.579 3.768 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000428678374 975970435 /nfs/dbraw/zinc/97/04/35/975970435.db2.gz VOOQPSDWYDWLHW-GOSISDBHSA-N 2 2 403.596 3.766 20 0 HHADLP CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428941744 976238692 /nfs/dbraw/zinc/23/86/92/976238692.db2.gz WSSDNCHCRMBFQL-OAQYLSRUSA-N 2 2 408.612 3.595 20 0 HHADLP CCC[C@]1(COC)CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428941744 976238700 /nfs/dbraw/zinc/23/87/00/976238700.db2.gz WSSDNCHCRMBFQL-OAQYLSRUSA-N 2 2 408.612 3.595 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428965062 976253800 /nfs/dbraw/zinc/25/38/00/976253800.db2.gz HLJVFWSYSFMRRJ-IFMALSPDSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000428965062 976253813 /nfs/dbraw/zinc/25/38/13/976253813.db2.gz HLJVFWSYSFMRRJ-IFMALSPDSA-N 2 2 411.594 3.778 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000429016025 976296858 /nfs/dbraw/zinc/29/68/58/976296858.db2.gz AKQGXWLSFGRNDS-NQIIRXRSSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000429016025 976296869 /nfs/dbraw/zinc/29/68/69/976296869.db2.gz AKQGXWLSFGRNDS-NQIIRXRSSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016025 976296879 /nfs/dbraw/zinc/29/68/79/976296879.db2.gz AKQGXWLSFGRNDS-NQIIRXRSSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016025 976296893 /nfs/dbraw/zinc/29/68/93/976296893.db2.gz AKQGXWLSFGRNDS-NQIIRXRSSA-N 2 2 420.395 3.589 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000429043001 976328087 /nfs/dbraw/zinc/32/80/87/976328087.db2.gz RNAOCNLTLMVXCH-SIKLNZKXSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000429043001 976328098 /nfs/dbraw/zinc/32/80/98/976328098.db2.gz RNAOCNLTLMVXCH-SIKLNZKXSA-N 2 2 403.530 3.725 20 0 HHADLP CC(C)[NH+](CCn1c(SCc2cc[nH+]c(N)c2)nc2ccccc2c1=O)C(C)C ZINC000430100983 977319594 /nfs/dbraw/zinc/31/95/94/977319594.db2.gz HJPAPXLDYRTTRK-UHFFFAOYSA-N 2 2 411.575 3.785 20 0 HHADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000430422239 977535567 /nfs/dbraw/zinc/53/55/67/977535567.db2.gz CIPMCUXPFGTPTM-MOPGFXCFSA-N 2 2 408.384 3.529 20 0 HHADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000430440238 977550800 /nfs/dbraw/zinc/55/08/00/977550800.db2.gz LIBZBIKGYQXQSS-IBGZPJMESA-N 2 2 417.985 3.870 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430859139 977815083 /nfs/dbraw/zinc/81/50/83/977815083.db2.gz HTHOVJIZHFZQHF-UHFFFAOYSA-N 2 2 403.958 3.623 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000430927695 977892295 /nfs/dbraw/zinc/89/22/95/977892295.db2.gz RBMVLXCUCDCWPI-UHFFFAOYSA-N 3 2 415.557 3.504 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000430927695 977892301 /nfs/dbraw/zinc/89/23/01/977892301.db2.gz RBMVLXCUCDCWPI-UHFFFAOYSA-N 3 2 415.557 3.504 20 0 HHADLP O=C(NC1CC([NH+]2CCCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430935005 977899670 /nfs/dbraw/zinc/89/96/70/977899670.db2.gz OUEMBLLIOFDPJB-UHFFFAOYSA-N 2 2 415.969 3.765 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000431207270 978093366 /nfs/dbraw/zinc/09/33/66/978093366.db2.gz MQKFVEISJIJFGP-WOJBJXKFSA-N 2 2 413.566 3.984 20 0 HHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000431342619 978223750 /nfs/dbraw/zinc/22/37/50/978223750.db2.gz ABZJQWFWEUUHQA-QFIPXVFZSA-N 2 2 422.573 3.747 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)CC1 ZINC000431350479 978229073 /nfs/dbraw/zinc/22/90/73/978229073.db2.gz ODUWSTCBTDFKTB-XMMPIXPASA-N 2 2 419.569 3.566 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000431569241 978363711 /nfs/dbraw/zinc/36/37/11/978363711.db2.gz DNUZDRFFEQYREO-QFIPXVFZSA-N 2 2 403.636 3.651 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000431672696 978426111 /nfs/dbraw/zinc/42/61/11/978426111.db2.gz HUKHEHNDDKFBBA-RXVVDRJESA-N 2 2 410.562 3.902 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000431672696 978426113 /nfs/dbraw/zinc/42/61/13/978426113.db2.gz HUKHEHNDDKFBBA-RXVVDRJESA-N 2 2 410.562 3.902 20 0 HHADLP C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000431694192 978440805 /nfs/dbraw/zinc/44/08/05/978440805.db2.gz UDMWHFGXZXWZNS-GCJKJVERSA-N 2 2 416.585 3.699 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2c(Cl)cc(F)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000431847688 978550288 /nfs/dbraw/zinc/55/02/88/978550288.db2.gz VSDRIGUKIFQHIL-UHFFFAOYSA-N 2 2 402.341 3.813 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc(Br)c1 ZINC000432334275 978765508 /nfs/dbraw/zinc/76/55/08/978765508.db2.gz FHAYNRCOSXNUKH-HXUWFJFHSA-N 2 2 420.395 3.941 20 0 HHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Br)c2OC(F)F)CCCO1 ZINC000432344588 978769123 /nfs/dbraw/zinc/76/91/23/978769123.db2.gz DWHTWXLFFSWPAQ-ZDUSSCGKSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Br)c2OC(F)F)CCCO1 ZINC000432344588 978769124 /nfs/dbraw/zinc/76/91/24/978769124.db2.gz DWHTWXLFFSWPAQ-ZDUSSCGKSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCO1 ZINC000432371454 978782824 /nfs/dbraw/zinc/78/28/24/978782824.db2.gz ZAQLOBFAPQQDNN-KRWDZBQOSA-N 2 2 410.484 3.541 20 0 HHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCO1 ZINC000432371454 978782827 /nfs/dbraw/zinc/78/28/27/978782827.db2.gz ZAQLOBFAPQQDNN-KRWDZBQOSA-N 2 2 410.484 3.541 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671080 978931366 /nfs/dbraw/zinc/93/13/66/978931366.db2.gz PXTPUSHCDLGGBN-UFYCRDLUSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000432671080 978931369 /nfs/dbraw/zinc/93/13/69/978931369.db2.gz PXTPUSHCDLGGBN-UFYCRDLUSA-N 2 2 414.594 3.634 20 0 HHADLP CO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C[NH+]2CCC[C@H](OC)C2)C1 ZINC000432962710 979025874 /nfs/dbraw/zinc/02/58/74/979025874.db2.gz SFXPZVOZNYIJSI-UXHICEINSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C[NH+]2CCC[C@H](OC)C2)C1 ZINC000432962710 979025878 /nfs/dbraw/zinc/02/58/78/979025878.db2.gz SFXPZVOZNYIJSI-UXHICEINSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000432962710 979025883 /nfs/dbraw/zinc/02/58/83/979025883.db2.gz SFXPZVOZNYIJSI-UXHICEINSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000432962710 979025887 /nfs/dbraw/zinc/02/58/87/979025887.db2.gz SFXPZVOZNYIJSI-UXHICEINSA-N 2 2 411.384 3.671 20 0 HHADLP CCc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000433046646 979050985 /nfs/dbraw/zinc/05/09/85/979050985.db2.gz QFBVIAHAWKKOJQ-QHCPKHFHSA-N 2 2 407.558 3.509 20 0 HHADLP CCc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000433046646 979050990 /nfs/dbraw/zinc/05/09/90/979050990.db2.gz QFBVIAHAWKKOJQ-QHCPKHFHSA-N 2 2 407.558 3.509 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC4(CCCC4)c4cccc(F)c43)CC2)CC1 ZINC000433336512 979246184 /nfs/dbraw/zinc/24/61/84/979246184.db2.gz PXLLFQVNNWAQHX-UHFFFAOYSA-N 2 2 414.569 3.726 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433762783 979557101 /nfs/dbraw/zinc/55/71/01/979557101.db2.gz AVWGCWKAOBCEQK-FCEUIQTBSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433762783 979557109 /nfs/dbraw/zinc/55/71/09/979557109.db2.gz AVWGCWKAOBCEQK-FCEUIQTBSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433762783 979557119 /nfs/dbraw/zinc/55/71/19/979557119.db2.gz AVWGCWKAOBCEQK-FCEUIQTBSA-N 2 2 409.578 3.540 20 0 HHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433762783 979557129 /nfs/dbraw/zinc/55/71/29/979557129.db2.gz AVWGCWKAOBCEQK-FCEUIQTBSA-N 2 2 409.578 3.540 20 0 HHADLP C[NH+](C)[C@@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000433770817 979561980 /nfs/dbraw/zinc/56/19/80/979561980.db2.gz JPBWKDWSWNETPR-MSOLQXFVSA-N 2 2 423.483 3.561 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000434288550 980048939 /nfs/dbraw/zinc/04/89/39/980048939.db2.gz OQQSMYSFEGEOOO-FGZHOGPDSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[C@H]1c1ccccc1 ZINC000434288550 980048943 /nfs/dbraw/zinc/04/89/43/980048943.db2.gz OQQSMYSFEGEOOO-FGZHOGPDSA-N 2 2 407.562 3.554 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000434298529 980058361 /nfs/dbraw/zinc/05/83/61/980058361.db2.gz SWDPGZKPTDIIJI-UNWVZKJWSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000434298529 980058370 /nfs/dbraw/zinc/05/83/70/980058370.db2.gz SWDPGZKPTDIIJI-UNWVZKJWSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434663043 980327093 /nfs/dbraw/zinc/32/70/93/980327093.db2.gz JYOVZKWHJHWOFQ-MRXNPFEDSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434685074 980338050 /nfs/dbraw/zinc/33/80/50/980338050.db2.gz MGGCBDWZTMCTJO-SELVFMLMSA-N 2 2 410.606 3.872 20 0 HHADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000434686548 980338736 /nfs/dbraw/zinc/33/87/36/980338736.db2.gz WFOCJXRDJJVSPZ-HXUWFJFHSA-N 2 2 416.928 3.997 20 0 HHADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435054651 980599356 /nfs/dbraw/zinc/59/93/56/980599356.db2.gz DRRACBNHVHVLEL-UHFFFAOYSA-N 2 2 411.472 3.582 20 0 HHADLP C[C@@H](c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122985 980655529 /nfs/dbraw/zinc/65/55/29/980655529.db2.gz DCDXXVQBUIEGKV-SFTDATJTSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122985 980655532 /nfs/dbraw/zinc/65/55/32/980655532.db2.gz DCDXXVQBUIEGKV-SFTDATJTSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000435129138 980660515 /nfs/dbraw/zinc/66/05/15/980660515.db2.gz IACKFKLVNKCWTD-FQEVSTJZSA-N 2 2 424.614 3.974 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000435129138 980660520 /nfs/dbraw/zinc/66/05/20/980660520.db2.gz IACKFKLVNKCWTD-FQEVSTJZSA-N 2 2 424.614 3.974 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000435129687 980660761 /nfs/dbraw/zinc/66/07/61/980660761.db2.gz LODPAVSVFBBOHW-UHFFFAOYSA-N 2 2 424.549 3.636 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000435129687 980660763 /nfs/dbraw/zinc/66/07/63/980660763.db2.gz LODPAVSVFBBOHW-UHFFFAOYSA-N 2 2 424.549 3.636 20 0 HHADLP O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435376717 980826219 /nfs/dbraw/zinc/82/62/19/980826219.db2.gz UAMCNTSVZOJBNY-JOCHJYFZSA-N 2 2 412.497 3.768 20 0 HHADLP O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435376717 980826228 /nfs/dbraw/zinc/82/62/28/980826228.db2.gz UAMCNTSVZOJBNY-JOCHJYFZSA-N 2 2 412.497 3.768 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436148291 981220962 /nfs/dbraw/zinc/22/09/62/981220962.db2.gz HPASHTPVIJFLEG-WOJBJXKFSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436148291 981220965 /nfs/dbraw/zinc/22/09/65/981220965.db2.gz HPASHTPVIJFLEG-WOJBJXKFSA-N 2 2 407.599 3.957 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336286 981308842 /nfs/dbraw/zinc/30/88/42/981308842.db2.gz VIWRIIKLPOEVOR-CVDCTZTESA-N 2 2 414.594 3.998 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336286 981308846 /nfs/dbraw/zinc/30/88/46/981308846.db2.gz VIWRIIKLPOEVOR-CVDCTZTESA-N 2 2 414.594 3.998 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379030 981336741 /nfs/dbraw/zinc/33/67/41/981336741.db2.gz VUSKNJQLZABQBW-PKTZIBPZSA-N 2 2 417.557 3.538 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379030 981336746 /nfs/dbraw/zinc/33/67/46/981336746.db2.gz VUSKNJQLZABQBW-PKTZIBPZSA-N 2 2 417.557 3.538 20 0 HHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C[C@@H](C)O1 ZINC000460389583 982168918 /nfs/dbraw/zinc/16/89/18/982168918.db2.gz TWDSYWGHUXQCNT-HUUCEWRRSA-N 2 2 421.383 3.647 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000460477883 982269936 /nfs/dbraw/zinc/26/99/36/982269936.db2.gz COEFTISFZGANEK-UHFFFAOYSA-N 2 2 401.570 3.704 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H](OC2CCCC2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460480882 982273155 /nfs/dbraw/zinc/27/31/55/982273155.db2.gz PNUCFKXTINOGCA-HSZRJFAPSA-N 2 2 413.606 3.753 20 0 HHADLP Cc1ccc(C(C)C)c(OCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000460497293 982286534 /nfs/dbraw/zinc/28/65/34/982286534.db2.gz BQJRFJMHJKTDBK-UHFFFAOYSA-N 2 2 401.595 3.564 20 0 HHADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460501002 982290609 /nfs/dbraw/zinc/29/06/09/982290609.db2.gz DZSBYDBWFSYBEL-KRWDZBQOSA-N 2 2 410.027 3.887 20 0 HHADLP CC[C@@H](C)c1ccccc1OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460505375 982294083 /nfs/dbraw/zinc/29/40/83/982294083.db2.gz WFOCXHPJQRHWQX-HXUWFJFHSA-N 2 2 401.595 3.645 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Oc3ccncc3)c2)([NH+]2CCCCC2)CC1 ZINC000438147368 982613960 /nfs/dbraw/zinc/61/39/60/982613960.db2.gz POOAXSPLKCCOOV-UHFFFAOYSA-N 2 2 423.561 3.946 20 0 HHADLP COc1ccc2sc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c(C)c2c1 ZINC000460944576 982680950 /nfs/dbraw/zinc/68/09/50/982680950.db2.gz GFVHAIFJMXOSFU-UHFFFAOYSA-N 2 2 401.576 3.507 20 0 HHADLP CCC(CC)[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1)[NH+]1CCOCC1 ZINC000461066958 982764063 /nfs/dbraw/zinc/76/40/63/982764063.db2.gz NVBZZPHNTQMMFX-QHCPKHFHSA-N 2 2 417.594 3.545 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000438443413 982796027 /nfs/dbraw/zinc/79/60/27/982796027.db2.gz LNZUPMGGXXJVLO-HIGZBPRKSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438443413 982796029 /nfs/dbraw/zinc/79/60/29/982796029.db2.gz LNZUPMGGXXJVLO-HIGZBPRKSA-N 2 2 412.622 3.911 20 0 HHADLP COc1ccc(C2(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CCCC2)cc1 ZINC000461299927 982999571 /nfs/dbraw/zinc/99/95/71/982999571.db2.gz IDKONRJTPDJSOR-UHFFFAOYSA-N 2 2 413.606 3.574 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)([NH+]2CCCCC2)CC1 ZINC000439320689 983363366 /nfs/dbraw/zinc/36/33/66/983363366.db2.gz BUYJNZWCIXJPPN-MSOLQXFVSA-N 2 2 418.548 3.605 20 0 HHADLP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805936 983545590 /nfs/dbraw/zinc/54/55/90/983545590.db2.gz KVBVPADIZDKEGR-NTKDMRAZSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805936 983545592 /nfs/dbraw/zinc/54/55/92/983545592.db2.gz KVBVPADIZDKEGR-NTKDMRAZSA-N 2 2 408.590 3.824 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000440542653 983790043 /nfs/dbraw/zinc/79/00/43/983790043.db2.gz DXGQZFHAZUPAHY-UHFFFAOYSA-N 2 2 406.014 3.975 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440798067 983910468 /nfs/dbraw/zinc/91/04/68/983910468.db2.gz OGKABRJQGLXMJV-RRWXTXHCSA-N 2 2 424.992 3.863 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440798067 983910477 /nfs/dbraw/zinc/91/04/77/983910477.db2.gz OGKABRJQGLXMJV-RRWXTXHCSA-N 2 2 424.992 3.863 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334793 984191564 /nfs/dbraw/zinc/19/15/64/984191564.db2.gz XKHUHUZVLBNWQZ-XZOQPEGZSA-N 2 2 406.574 3.697 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334793 984191570 /nfs/dbraw/zinc/19/15/70/984191570.db2.gz XKHUHUZVLBNWQZ-XZOQPEGZSA-N 2 2 406.574 3.697 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341203 984196646 /nfs/dbraw/zinc/19/66/46/984196646.db2.gz SQKQJBQXHNABBU-APWZRJJASA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441341203 984196649 /nfs/dbraw/zinc/19/66/49/984196649.db2.gz SQKQJBQXHNABBU-APWZRJJASA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441341203 984196656 /nfs/dbraw/zinc/19/66/56/984196656.db2.gz SQKQJBQXHNABBU-APWZRJJASA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441341203 984196660 /nfs/dbraw/zinc/19/66/60/984196660.db2.gz SQKQJBQXHNABBU-APWZRJJASA-N 2 2 410.400 3.602 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c(C)c1 ZINC000441384284 984222565 /nfs/dbraw/zinc/22/25/65/984222565.db2.gz QTJOKOHDVFTNSE-PTUXOGIPSA-N 2 2 418.541 3.859 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395949 984228716 /nfs/dbraw/zinc/22/87/16/984228716.db2.gz BCIUITXCCVUBKA-RYGJVYDSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395949 984228722 /nfs/dbraw/zinc/22/87/22/984228722.db2.gz BCIUITXCCVUBKA-RYGJVYDSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395949 984228727 /nfs/dbraw/zinc/22/87/27/984228727.db2.gz BCIUITXCCVUBKA-RYGJVYDSSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395949 984228730 /nfs/dbraw/zinc/22/87/30/984228730.db2.gz BCIUITXCCVUBKA-RYGJVYDSSA-N 2 2 407.480 3.759 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397459 984229910 /nfs/dbraw/zinc/22/99/10/984229910.db2.gz ABRGPEJNDIBNLL-FGCOXFRFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397459 984229915 /nfs/dbraw/zinc/22/99/15/984229915.db2.gz ABRGPEJNDIBNLL-FGCOXFRFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397459 984229921 /nfs/dbraw/zinc/22/99/21/984229921.db2.gz ABRGPEJNDIBNLL-FGCOXFRFSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397459 984229927 /nfs/dbraw/zinc/22/99/27/984229927.db2.gz ABRGPEJNDIBNLL-FGCOXFRFSA-N 2 2 411.590 3.698 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407079 984235764 /nfs/dbraw/zinc/23/57/64/984235764.db2.gz SDDGPUCUPJCCAK-RIFZZMRRSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407079 984235766 /nfs/dbraw/zinc/23/57/66/984235766.db2.gz SDDGPUCUPJCCAK-RIFZZMRRSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407079 984235772 /nfs/dbraw/zinc/23/57/72/984235772.db2.gz SDDGPUCUPJCCAK-RIFZZMRRSA-N 2 2 420.395 3.575 20 0 HHADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000441407079 984235778 /nfs/dbraw/zinc/23/57/78/984235778.db2.gz SDDGPUCUPJCCAK-RIFZZMRRSA-N 2 2 420.395 3.575 20 0 HHADLP CCC[C@H]1CCc2nc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000441938889 984552986 /nfs/dbraw/zinc/55/29/86/984552986.db2.gz YBGLQBXZRVFBIY-INIZCTEOSA-N 2 2 407.628 3.538 20 0 HHADLP CCC[C@H]1CCc2nc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000441938889 984552988 /nfs/dbraw/zinc/55/29/88/984552988.db2.gz YBGLQBXZRVFBIY-INIZCTEOSA-N 2 2 407.628 3.538 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000442235816 984755886 /nfs/dbraw/zinc/75/58/86/984755886.db2.gz KKBHTAIAJDJCMF-ISKFKSNPSA-N 2 2 419.573 3.713 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000442237061 984758296 /nfs/dbraw/zinc/75/82/96/984758296.db2.gz NNCDFXBFRAHWDT-OYDLWJJNSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000442237061 984758308 /nfs/dbraw/zinc/75/83/08/984758308.db2.gz NNCDFXBFRAHWDT-OYDLWJJNSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237735 984758396 /nfs/dbraw/zinc/75/83/96/984758396.db2.gz YFTFCOFMOIMIFU-VWNXMTODSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237735 984758398 /nfs/dbraw/zinc/75/83/98/984758398.db2.gz YFTFCOFMOIMIFU-VWNXMTODSA-N 2 2 417.557 3.815 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000462219811 985200301 /nfs/dbraw/zinc/20/03/01/985200301.db2.gz YCZROWWRPRNYOV-UZLBHIALSA-N 2 2 404.555 3.578 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254252 985238539 /nfs/dbraw/zinc/23/85/39/985238539.db2.gz BQAOUZUHSKFYCO-SIKLNZKXSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254252 985238553 /nfs/dbraw/zinc/23/85/53/985238553.db2.gz BQAOUZUHSKFYCO-SIKLNZKXSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000462259292 985245863 /nfs/dbraw/zinc/24/58/63/985245863.db2.gz RLYHNPYBASBERF-QGZVFWFLSA-N 2 2 402.564 3.599 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000462517692 985468187 /nfs/dbraw/zinc/46/81/87/985468187.db2.gz RLCSUSPEFCZJOM-MJGOQNOKSA-N 2 2 402.564 3.566 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462614727 985558061 /nfs/dbraw/zinc/55/80/61/985558061.db2.gz KFXFDSVDXQFWRV-LEWJYISDSA-N 2 2 419.997 3.684 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462614727 985558067 /nfs/dbraw/zinc/55/80/67/985558067.db2.gz KFXFDSVDXQFWRV-LEWJYISDSA-N 2 2 419.997 3.684 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000462680557 985619859 /nfs/dbraw/zinc/61/98/59/985619859.db2.gz JRIQNYAYBDXIHP-LJQANCHMSA-N 2 2 412.603 3.932 20 0 HHADLP CC(C)C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000468006385 985657066 /nfs/dbraw/zinc/65/70/66/985657066.db2.gz QSGWICPSHSDNOH-DENIHFKCSA-N 2 2 411.594 3.827 20 0 HHADLP CC(C)C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000468006386 985658239 /nfs/dbraw/zinc/65/82/39/985658239.db2.gz QSGWICPSHSDNOH-KNQAVFIVSA-N 2 2 411.594 3.827 20 0 HHADLP CCC(C)(C)C1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000462742080 985683125 /nfs/dbraw/zinc/68/31/25/985683125.db2.gz COJRJDNTJBEFAV-XVAXZDLZSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000462743329 985685424 /nfs/dbraw/zinc/68/54/24/985685424.db2.gz JXMALKOFNPHMLX-MZYLBHOOSA-N 2 2 409.578 3.778 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000462743329 985685431 /nfs/dbraw/zinc/68/54/31/985685431.db2.gz JXMALKOFNPHMLX-MZYLBHOOSA-N 2 2 409.578 3.778 20 0 HHADLP C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443598592 985775704 /nfs/dbraw/zinc/77/57/04/985775704.db2.gz AFRHWMLKFLJXTA-OAQYLSRUSA-N 2 2 421.507 3.643 20 0 HHADLP C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443598592 985775719 /nfs/dbraw/zinc/77/57/19/985775719.db2.gz AFRHWMLKFLJXTA-OAQYLSRUSA-N 2 2 421.507 3.643 20 0 HHADLP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443618081 985795656 /nfs/dbraw/zinc/79/56/56/985795656.db2.gz ZCVXLWWSWODITF-QFIPXVFZSA-N 2 2 413.997 3.707 20 0 HHADLP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443618081 985795664 /nfs/dbraw/zinc/79/56/64/985795664.db2.gz ZCVXLWWSWODITF-QFIPXVFZSA-N 2 2 413.997 3.707 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000463067544 986024687 /nfs/dbraw/zinc/02/46/87/986024687.db2.gz CIJGPSDXDOMFTB-QGZVFWFLSA-N 2 2 404.551 3.587 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463070262 986026514 /nfs/dbraw/zinc/02/65/14/986026514.db2.gz SBHZTKHIIIZAGO-RCZVLFRGSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463070262 986026524 /nfs/dbraw/zinc/02/65/24/986026524.db2.gz SBHZTKHIIIZAGO-RCZVLFRGSA-N 2 2 423.601 3.540 20 0 HHADLP Cc1nc2ccccc2n1CCCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000463074053 986031667 /nfs/dbraw/zinc/03/16/67/986031667.db2.gz OFKLKJXANUQGLQ-UHFFFAOYSA-N 2 2 408.594 3.808 20 0 HHADLP Cc1nc2ccccc2n1CCCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000463074053 986031676 /nfs/dbraw/zinc/03/16/76/986031676.db2.gz OFKLKJXANUQGLQ-UHFFFAOYSA-N 2 2 408.594 3.808 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468411532 986110383 /nfs/dbraw/zinc/11/03/83/986110383.db2.gz ITGIQMGGVSSNQB-NHCUHLMSSA-N 2 2 407.549 3.962 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468411532 986110402 /nfs/dbraw/zinc/11/04/02/986110402.db2.gz ITGIQMGGVSSNQB-NHCUHLMSSA-N 2 2 407.549 3.962 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463144818 986114195 /nfs/dbraw/zinc/11/41/95/986114195.db2.gz BIXXMYVFSXEDHU-LJQANCHMSA-N 2 2 412.603 3.932 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccncc3OCC(F)(F)F)CC2)cc1 ZINC000463236548 986204745 /nfs/dbraw/zinc/20/47/45/986204745.db2.gz LQBCVLHQOUHPSD-UHFFFAOYSA-N 2 2 411.443 3.959 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444047998 986246812 /nfs/dbraw/zinc/24/68/12/986246812.db2.gz PNSMNECTAYRJEC-UGKGYDQZSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444047998 986246825 /nfs/dbraw/zinc/24/68/25/986246825.db2.gz PNSMNECTAYRJEC-UGKGYDQZSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000463304245 986271186 /nfs/dbraw/zinc/27/11/86/986271186.db2.gz FUZPCOKDLVUAGJ-IPMKNSEASA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000463304245 986271199 /nfs/dbraw/zinc/27/11/99/986271199.db2.gz FUZPCOKDLVUAGJ-IPMKNSEASA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208590 986389259 /nfs/dbraw/zinc/38/92/59/986389259.db2.gz YFEZDIGSWFZMRG-SIKLNZKXSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208590 986389272 /nfs/dbraw/zinc/38/92/72/986389272.db2.gz YFEZDIGSWFZMRG-SIKLNZKXSA-N 2 2 409.578 3.884 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000444210904 986392919 /nfs/dbraw/zinc/39/29/19/986392919.db2.gz IRZYLSWSMXJHIQ-FQEVSTJZSA-N 2 2 406.574 3.591 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000444210904 986392926 /nfs/dbraw/zinc/39/29/26/986392926.db2.gz IRZYLSWSMXJHIQ-FQEVSTJZSA-N 2 2 406.574 3.591 20 0 HHADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000468770028 986483309 /nfs/dbraw/zinc/48/33/09/986483309.db2.gz AONVFYMMKNGNES-OALUTQOASA-N 2 2 410.562 3.543 20 0 HHADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000469073913 986785796 /nfs/dbraw/zinc/78/57/96/986785796.db2.gz VEQIVUHKYJCRMM-NRFANRHFSA-N 2 2 412.578 3.965 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700207 986874747 /nfs/dbraw/zinc/87/47/47/986874747.db2.gz FONYTCLCQOXXMO-QGZVFWFLSA-N 2 2 401.501 3.566 20 0 HHADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700207 986874755 /nfs/dbraw/zinc/87/47/55/986874755.db2.gz FONYTCLCQOXXMO-QGZVFWFLSA-N 2 2 401.501 3.566 20 0 HHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794037 986948756 /nfs/dbraw/zinc/94/87/56/986948756.db2.gz IWPSSWOGADTAGI-SIKLNZKXSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794037 986948763 /nfs/dbraw/zinc/94/87/63/986948763.db2.gz IWPSSWOGADTAGI-SIKLNZKXSA-N 2 2 402.542 3.894 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000444801519 986956243 /nfs/dbraw/zinc/95/62/43/986956243.db2.gz LGTWFFWDRRMGOJ-WMZHIEFXSA-N 2 2 420.582 3.835 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000444801519 986956247 /nfs/dbraw/zinc/95/62/47/986956247.db2.gz LGTWFFWDRRMGOJ-WMZHIEFXSA-N 2 2 420.582 3.835 20 0 HHADLP Cc1c(Cl)cc(F)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1F ZINC000444873113 987026990 /nfs/dbraw/zinc/02/69/90/987026990.db2.gz KYCSOTXOLIRDKF-UHFFFAOYSA-N 2 2 400.901 3.607 20 0 HHADLP CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469682982 987340534 /nfs/dbraw/zinc/34/05/34/987340534.db2.gz WTVNIWIQVIYKPV-KDURUIRLSA-N 2 2 401.599 3.599 20 0 HHADLP CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469682982 987340546 /nfs/dbraw/zinc/34/05/46/987340546.db2.gz WTVNIWIQVIYKPV-KDURUIRLSA-N 2 2 401.599 3.599 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1)c1ccccc1 ZINC000469762536 987415934 /nfs/dbraw/zinc/41/59/34/987415934.db2.gz CYZNKTVXBXTFDG-UGKGYDQZSA-N 2 2 408.546 3.908 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@@H](C)C1 ZINC000469792363 987436676 /nfs/dbraw/zinc/43/66/76/987436676.db2.gz XFCQAGPIPOEKGH-NZQKXSOJSA-N 2 2 411.590 3.919 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@@H](C)C1 ZINC000469792363 987436681 /nfs/dbraw/zinc/43/66/81/987436681.db2.gz XFCQAGPIPOEKGH-NZQKXSOJSA-N 2 2 411.590 3.919 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469838544 987473403 /nfs/dbraw/zinc/47/34/03/987473403.db2.gz MXCMOALGKFBFKE-DUXKGJEZSA-N 2 2 415.969 3.966 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](c3cccnc3)C3CC3)CC2)cc1 ZINC000445815251 987876920 /nfs/dbraw/zinc/87/69/20/987876920.db2.gz IJBJKAMXQFYGDW-VWLOTQADSA-N 2 2 406.574 3.590 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000470316854 988276915 /nfs/dbraw/zinc/27/69/15/988276915.db2.gz JMIVIYWCMFABGG-UHFFFAOYSA-N 2 2 414.145 3.781 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000470396221 988355897 /nfs/dbraw/zinc/35/58/97/988355897.db2.gz DHZGXBSAMIHVND-UHFFFAOYSA-N 2 2 413.428 3.592 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464319848 988451761 /nfs/dbraw/zinc/45/17/61/988451761.db2.gz QZTLSVDDMAMRPO-IRXDYDNUSA-N 2 2 401.473 3.708 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464319848 988451768 /nfs/dbraw/zinc/45/17/68/988451768.db2.gz QZTLSVDDMAMRPO-IRXDYDNUSA-N 2 2 401.473 3.708 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439844 988610317 /nfs/dbraw/zinc/61/03/17/988610317.db2.gz PSASHJHMPMZTGP-RPWUZVMVSA-N 2 2 412.622 3.851 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439844 988610322 /nfs/dbraw/zinc/61/03/22/988610322.db2.gz PSASHJHMPMZTGP-RPWUZVMVSA-N 2 2 412.622 3.851 20 0 HHADLP CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000470721997 988747918 /nfs/dbraw/zinc/74/79/18/988747918.db2.gz FBBGGWJIURTQAL-HYBUGGRVSA-N 2 2 412.622 3.770 20 0 HHADLP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804564 989034033 /nfs/dbraw/zinc/03/40/33/989034033.db2.gz GHHCMFKJAZJWTD-FQEVSTJZSA-N 2 2 424.589 3.848 20 0 HHADLP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804564 989034038 /nfs/dbraw/zinc/03/40/38/989034038.db2.gz GHHCMFKJAZJWTD-FQEVSTJZSA-N 2 2 424.589 3.848 20 0 HHADLP CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811643 989046511 /nfs/dbraw/zinc/04/65/11/989046511.db2.gz SHHVKRIEFADVKZ-UHFFFAOYSA-N 2 2 407.518 3.879 20 0 HHADLP CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811643 989046523 /nfs/dbraw/zinc/04/65/23/989046523.db2.gz SHHVKRIEFADVKZ-UHFFFAOYSA-N 2 2 407.518 3.879 20 0 HHADLP C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843304 989091985 /nfs/dbraw/zinc/09/19/85/989091985.db2.gz SIXRCYRFPQBEHO-OAQYLSRUSA-N 2 2 416.569 3.507 20 0 HHADLP C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843304 989091998 /nfs/dbraw/zinc/09/19/98/989091998.db2.gz SIXRCYRFPQBEHO-OAQYLSRUSA-N 2 2 416.569 3.507 20 0 HHADLP C[NH+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843304 989092004 /nfs/dbraw/zinc/09/20/04/989092004.db2.gz SIXRCYRFPQBEHO-OAQYLSRUSA-N 2 2 416.569 3.507 20 0 HHADLP C[NH+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843304 989092014 /nfs/dbraw/zinc/09/20/14/989092014.db2.gz SIXRCYRFPQBEHO-OAQYLSRUSA-N 2 2 416.569 3.507 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845682 989096745 /nfs/dbraw/zinc/09/67/45/989096745.db2.gz OOKNLQSVQPHJQT-AZUAARDMSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845682 989096752 /nfs/dbraw/zinc/09/67/52/989096752.db2.gz OOKNLQSVQPHJQT-AZUAARDMSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845682 989096762 /nfs/dbraw/zinc/09/67/62/989096762.db2.gz OOKNLQSVQPHJQT-AZUAARDMSA-N 2 2 415.528 3.938 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845682 989096769 /nfs/dbraw/zinc/09/67/69/989096769.db2.gz OOKNLQSVQPHJQT-AZUAARDMSA-N 2 2 415.528 3.938 20 0 HHADLP CSc1ccccc1C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000471029919 989101276 /nfs/dbraw/zinc/10/12/76/989101276.db2.gz RTRJGIYCCKKTRB-UHFFFAOYSA-N 2 2 411.615 3.930 20 0 HHADLP CSc1ccccc1C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000471029919 989101287 /nfs/dbraw/zinc/10/12/87/989101287.db2.gz RTRJGIYCCKKTRB-UHFFFAOYSA-N 2 2 411.615 3.930 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468745 989813716 /nfs/dbraw/zinc/81/37/16/989813716.db2.gz RYOWEUXXEVFTEN-YADARESESA-N 2 2 418.541 3.649 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468745 989813725 /nfs/dbraw/zinc/81/37/25/989813725.db2.gz RYOWEUXXEVFTEN-YADARESESA-N 2 2 418.541 3.649 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465526391 989883268 /nfs/dbraw/zinc/88/32/68/989883268.db2.gz ZLSXURGUPVMFBG-HXUWFJFHSA-N 2 2 416.610 3.784 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccs1 ZINC000465570912 989938916 /nfs/dbraw/zinc/93/89/16/989938916.db2.gz LSTDFEVIGGPRKZ-WIYYLYMNSA-N 2 2 413.591 3.626 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccs1 ZINC000465570912 989938923 /nfs/dbraw/zinc/93/89/23/989938923.db2.gz LSTDFEVIGGPRKZ-WIYYLYMNSA-N 2 2 413.591 3.626 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)([NH+]2CCCCC2)CC1 ZINC000465617816 990003401 /nfs/dbraw/zinc/00/34/01/990003401.db2.gz DJHNFGAKQOMGIN-IBGZPJMESA-N 2 2 420.598 3.612 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000465620262 990005699 /nfs/dbraw/zinc/00/56/99/990005699.db2.gz BSSPZOSMRMMQHF-UNMCSNQZSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccs1 ZINC000465620262 990005708 /nfs/dbraw/zinc/00/57/08/990005708.db2.gz BSSPZOSMRMMQHF-UNMCSNQZSA-N 2 2 423.586 3.875 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465630958 990017036 /nfs/dbraw/zinc/01/70/36/990017036.db2.gz QQLAZWJLZARIFJ-XMMPIXPASA-N 2 2 417.557 3.595 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465630958 990017041 /nfs/dbraw/zinc/01/70/41/990017041.db2.gz QQLAZWJLZARIFJ-XMMPIXPASA-N 2 2 417.557 3.595 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471877632 990050178 /nfs/dbraw/zinc/05/01/78/990050178.db2.gz SIZOQTZZJQTBDW-YADHBBJMSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471877632 990050186 /nfs/dbraw/zinc/05/01/86/990050186.db2.gz SIZOQTZZJQTBDW-YADHBBJMSA-N 2 2 411.594 3.979 20 0 HHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472043937 990213133 /nfs/dbraw/zinc/21/31/33/990213133.db2.gz XBXSVHKBFNMZCN-UHFFFAOYSA-N 2 2 404.889 3.857 20 0 HHADLP CSc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000472087714 990245899 /nfs/dbraw/zinc/24/58/99/990245899.db2.gz UQIZPFUHEXIPAV-UHFFFAOYSA-N 2 2 404.407 3.813 20 0 HHADLP CSc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000472087714 990245907 /nfs/dbraw/zinc/24/59/07/990245907.db2.gz UQIZPFUHEXIPAV-UHFFFAOYSA-N 2 2 404.407 3.813 20 0 HHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465950238 991090324 /nfs/dbraw/zinc/09/03/24/991090324.db2.gz GKVNVYDKXDSOIP-OAQYLSRUSA-N 2 2 401.599 3.594 20 0 HHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465950238 991090332 /nfs/dbraw/zinc/09/03/32/991090332.db2.gz GKVNVYDKXDSOIP-OAQYLSRUSA-N 2 2 401.599 3.594 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000466037183 991208166 /nfs/dbraw/zinc/20/81/66/991208166.db2.gz IJHKMLFKXZZHIQ-IAGOWNOFSA-N 2 2 421.948 3.760 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000466037183 991208177 /nfs/dbraw/zinc/20/81/77/991208177.db2.gz IJHKMLFKXZZHIQ-IAGOWNOFSA-N 2 2 421.948 3.760 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccco2)Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466140342 991321879 /nfs/dbraw/zinc/32/18/79/991321879.db2.gz FXAKOSMRRHAOLU-UHFFFAOYSA-N 2 2 424.589 3.942 20 0 HHADLP Cc1ccc([C@@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000466156575 991343934 /nfs/dbraw/zinc/34/39/34/991343934.db2.gz DKNLBKBXEDSAAL-OAQYLSRUSA-N 2 2 400.611 3.956 20 0 HHADLP C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466158826 991346737 /nfs/dbraw/zinc/34/67/37/991346737.db2.gz RXEBFUNLZLCNPT-SFHVURJKSA-N 2 2 407.002 3.993 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228975 991452107 /nfs/dbraw/zinc/45/21/07/991452107.db2.gz VHBJHWOWOVOTPM-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228975 991452113 /nfs/dbraw/zinc/45/21/13/991452113.db2.gz VHBJHWOWOVOTPM-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP FC(F)(F)C1CCC(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000466467277 991758034 /nfs/dbraw/zinc/75/80/34/991758034.db2.gz UONSOFUXAPQERG-UHFFFAOYSA-N 2 2 400.485 3.856 20 0 HHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CCO2 ZINC000466472746 991764044 /nfs/dbraw/zinc/76/40/44/991764044.db2.gz ZYSDINTZEJBAJU-FQEVSTJZSA-N 2 2 401.938 3.714 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821289 992129559 /nfs/dbraw/zinc/12/95/59/992129559.db2.gz GMEUXPQKJQUKGO-GBXCKJPGSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821289 992129566 /nfs/dbraw/zinc/12/95/66/992129566.db2.gz GMEUXPQKJQUKGO-GBXCKJPGSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821289 992129572 /nfs/dbraw/zinc/12/95/72/992129572.db2.gz GMEUXPQKJQUKGO-GBXCKJPGSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821289 992129577 /nfs/dbraw/zinc/12/95/77/992129577.db2.gz GMEUXPQKJQUKGO-GBXCKJPGSA-N 2 2 405.546 3.870 20 0 HHADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466904565 992220354 /nfs/dbraw/zinc/22/03/54/992220354.db2.gz LKPFXJOYNGNGFO-KRWDZBQOSA-N 2 2 418.969 3.952 20 0 HHADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466904566 992220515 /nfs/dbraw/zinc/22/05/15/992220515.db2.gz LKPFXJOYNGNGFO-QGZVFWFLSA-N 2 2 418.969 3.952 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000467084942 992390665 /nfs/dbraw/zinc/39/06/65/992390665.db2.gz LTVZFGRMAJSJHA-DEOSSOPVSA-N 2 2 419.573 3.845 20 0 HHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467205594 992531055 /nfs/dbraw/zinc/53/10/55/992531055.db2.gz IKAOSIKRHOGJCB-OAHLLOKOSA-N 2 2 414.377 3.897 20 0 HHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000467339427 992660343 /nfs/dbraw/zinc/66/03/43/992660343.db2.gz URSDRLIAAFNVBD-XZOQPEGZSA-N 2 2 409.574 3.917 20 0 HHADLP CN1CCO[C@@H]([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000467748966 992996365 /nfs/dbraw/zinc/99/63/65/992996365.db2.gz KTOSGTKGSXHHFF-ISKFKSNPSA-N 2 2 424.976 3.789 20 0 HHADLP CC[N@H+](CC(=O)N1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472257861 993283461 /nfs/dbraw/zinc/28/34/61/993283461.db2.gz NGLFGLXDYBOWGK-IBGZPJMESA-N 2 2 401.599 3.600 20 0 HHADLP CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000472257861 993283464 /nfs/dbraw/zinc/28/34/64/993283464.db2.gz NGLFGLXDYBOWGK-IBGZPJMESA-N 2 2 401.599 3.600 20 0 HHADLP CCc1ccc(CN(C)C(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000472258145 993283870 /nfs/dbraw/zinc/28/38/70/993283870.db2.gz KOFGLFXFHZHRCW-UHFFFAOYSA-N 2 2 408.590 3.841 20 0 HHADLP CCc1ccc(CN(C)C(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000472258145 993283879 /nfs/dbraw/zinc/28/38/79/993283879.db2.gz KOFGLFXFHZHRCW-UHFFFAOYSA-N 2 2 408.590 3.841 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267897 993291042 /nfs/dbraw/zinc/29/10/42/993291042.db2.gz KDESKEYJAQRKQN-QUCCMNQESA-N 2 2 422.639 3.630 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267897 993291048 /nfs/dbraw/zinc/29/10/48/993291048.db2.gz KDESKEYJAQRKQN-QUCCMNQESA-N 2 2 422.639 3.630 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(OC)c(NC(C)=O)c3)cc2)CC1 ZINC000480722371 993590609 /nfs/dbraw/zinc/59/06/09/993590609.db2.gz PKDDLLNAUOYVKQ-IBGZPJMESA-N 2 2 424.589 3.642 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472764890 993704592 /nfs/dbraw/zinc/70/45/92/993704592.db2.gz FEVBQALAOMQKKE-PXNSSMCTSA-N 2 2 407.327 3.561 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472764890 993704604 /nfs/dbraw/zinc/70/46/04/993704604.db2.gz FEVBQALAOMQKKE-PXNSSMCTSA-N 2 2 407.327 3.561 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000480914406 993769665 /nfs/dbraw/zinc/76/96/65/993769665.db2.gz QDLQLRDUZDUXHP-OAQYLSRUSA-N 2 2 403.574 3.530 20 0 HHADLP Cc1ccc(SC[C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000472876384 993802140 /nfs/dbraw/zinc/80/21/40/993802140.db2.gz PFVOVVUNJXBQMU-HXUWFJFHSA-N 2 2 418.651 3.725 20 0 HHADLP C[C@@H](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000472956662 993888999 /nfs/dbraw/zinc/88/89/99/993888999.db2.gz FLXNXAOWAJQBKR-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@@H](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472956662 993889007 /nfs/dbraw/zinc/88/90/07/993889007.db2.gz FLXNXAOWAJQBKR-FQEVSTJZSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473009635 993934337 /nfs/dbraw/zinc/93/43/37/993934337.db2.gz MOPGNNSARBGLJG-FYYLOGMGSA-N 2 2 412.622 3.599 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177485 994008226 /nfs/dbraw/zinc/00/82/26/994008226.db2.gz QKGWJIBYEKQXQV-AEFFLSMTSA-N 2 2 410.543 3.842 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000481177485 994008232 /nfs/dbraw/zinc/00/82/32/994008232.db2.gz QKGWJIBYEKQXQV-AEFFLSMTSA-N 2 2 410.543 3.842 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481179437 994009420 /nfs/dbraw/zinc/00/94/20/994009420.db2.gz UTMGQRGJYFYTOW-IPJJNNNSSA-N 2 2 423.557 3.609 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481179437 994009429 /nfs/dbraw/zinc/00/94/29/994009429.db2.gz UTMGQRGJYFYTOW-IPJJNNNSSA-N 2 2 423.557 3.609 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481187337 994019132 /nfs/dbraw/zinc/01/91/32/994019132.db2.gz ZGTLMJJCFFDEFW-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000481187337 994019139 /nfs/dbraw/zinc/01/91/39/994019139.db2.gz ZGTLMJJCFFDEFW-BBTUJRGHSA-N 2 2 411.546 3.531 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190830 994022921 /nfs/dbraw/zinc/02/29/21/994022921.db2.gz PEZBVRNTGICDIR-ZRCGQRJVSA-N 2 2 422.573 3.840 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481190830 994022929 /nfs/dbraw/zinc/02/29/29/994022929.db2.gz PEZBVRNTGICDIR-ZRCGQRJVSA-N 2 2 422.573 3.840 20 0 HHADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC(F)F ZINC000481328827 994147782 /nfs/dbraw/zinc/14/77/82/994147782.db2.gz VSAQJZNRGPVDNN-MRXNPFEDSA-N 2 2 406.473 3.980 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000473309655 994168390 /nfs/dbraw/zinc/16/83/90/994168390.db2.gz USRCRHFVTHIJER-JOCHJYFZSA-N 2 2 415.541 3.649 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000473309655 994168396 /nfs/dbraw/zinc/16/83/96/994168396.db2.gz USRCRHFVTHIJER-JOCHJYFZSA-N 2 2 415.541 3.649 20 0 HHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481424108 994259105 /nfs/dbraw/zinc/25/91/05/994259105.db2.gz OBGUWIULMWMZDC-QHCPKHFHSA-N 2 2 408.542 3.934 20 0 HHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000481558816 994393372 /nfs/dbraw/zinc/39/33/72/994393372.db2.gz RAEGVQGKXGKSEG-IAGOWNOFSA-N 2 2 402.510 3.914 20 0 HHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000481558816 994393382 /nfs/dbraw/zinc/39/33/82/994393382.db2.gz RAEGVQGKXGKSEG-IAGOWNOFSA-N 2 2 402.510 3.914 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481565032 994400149 /nfs/dbraw/zinc/40/01/49/994400149.db2.gz PLNDTKMUDZZQFV-LJQANCHMSA-N 2 2 424.570 3.898 20 0 HHADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](Cc3ccc(C)cc3)C(=O)OC)CC2)cs1 ZINC000481573145 994410868 /nfs/dbraw/zinc/41/08/68/994410868.db2.gz SXLYCVKDSOXVPM-OAQYLSRUSA-N 2 2 415.603 3.600 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000473624904 994505832 /nfs/dbraw/zinc/50/58/32/994505832.db2.gz SEPXVOPLOUWXIN-UHFFFAOYSA-N 2 2 406.014 3.974 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481641405 994506837 /nfs/dbraw/zinc/50/68/37/994506837.db2.gz VALRYSGUDDSXLY-RBUKOAKNSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481641405 994506846 /nfs/dbraw/zinc/50/68/46/994506846.db2.gz VALRYSGUDDSXLY-RBUKOAKNSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692298 994551947 /nfs/dbraw/zinc/55/19/47/994551947.db2.gz JVRUCORXUUJWTL-NHCUHLMSSA-N 2 2 420.573 3.944 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692298 994551957 /nfs/dbraw/zinc/55/19/57/994551957.db2.gz JVRUCORXUUJWTL-NHCUHLMSSA-N 2 2 420.573 3.944 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000482001364 994903202 /nfs/dbraw/zinc/90/32/02/994903202.db2.gz MQHMPBQJJGJMHD-FIXISWKDSA-N 2 2 422.738 3.772 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000482001364 994903212 /nfs/dbraw/zinc/90/32/12/994903212.db2.gz MQHMPBQJJGJMHD-FIXISWKDSA-N 2 2 422.738 3.772 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482020282 994932893 /nfs/dbraw/zinc/93/28/93/994932893.db2.gz PDPBIOHRYCHRPQ-DHIUTWEWSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482020282 994932901 /nfs/dbraw/zinc/93/29/01/994932901.db2.gz PDPBIOHRYCHRPQ-DHIUTWEWSA-N 2 2 402.498 3.589 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030916 994947220 /nfs/dbraw/zinc/94/72/20/994947220.db2.gz HZTBTCBJMZYBCN-PKTZIBPZSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030916 994947234 /nfs/dbraw/zinc/94/72/34/994947234.db2.gz HZTBTCBJMZYBCN-PKTZIBPZSA-N 2 2 415.528 3.781 20 0 HHADLP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050087 994974066 /nfs/dbraw/zinc/97/40/66/994974066.db2.gz QPGCZBQISMWCKS-ZEQRLZLVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050087 994974081 /nfs/dbraw/zinc/97/40/81/994974081.db2.gz QPGCZBQISMWCKS-ZEQRLZLVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000482102772 995048738 /nfs/dbraw/zinc/04/87/38/995048738.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000482102772 995048746 /nfs/dbraw/zinc/04/87/46/995048746.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102772 995048751 /nfs/dbraw/zinc/04/87/51/995048751.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102772 995048757 /nfs/dbraw/zinc/04/87/57/995048757.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 2 2 419.569 3.754 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120059 995066824 /nfs/dbraw/zinc/06/68/24/995066824.db2.gz IPMISYFHGNVJIT-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000482120059 995066835 /nfs/dbraw/zinc/06/68/35/995066835.db2.gz IPMISYFHGNVJIT-DVECYGJZSA-N 2 2 415.541 3.729 20 0 HHADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1OC ZINC000482121070 995069790 /nfs/dbraw/zinc/06/97/90/995069790.db2.gz KTYKGTDIXXPGGM-LJQANCHMSA-N 2 2 416.953 3.523 20 0 HHADLP COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000482131859 995082205 /nfs/dbraw/zinc/08/22/05/995082205.db2.gz XJSHYTXKUNVEQO-IBGZPJMESA-N 2 2 418.541 3.633 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)o2)cc1 ZINC000482222528 995207174 /nfs/dbraw/zinc/20/71/74/995207174.db2.gz MYVHDZXXASCADI-VXKWHMMOSA-N 2 2 412.530 3.591 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000482224012 995208631 /nfs/dbraw/zinc/20/86/31/995208631.db2.gz OUURBEBGPNNJTN-FGZHOGPDSA-N 2 2 412.530 3.591 20 0 HHADLP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474340275 995320510 /nfs/dbraw/zinc/32/05/10/995320510.db2.gz XDMSVQPZEVLRGV-HXUWFJFHSA-N 2 2 413.591 3.867 20 0 HHADLP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474340275 995320524 /nfs/dbraw/zinc/32/05/24/995320524.db2.gz XDMSVQPZEVLRGV-HXUWFJFHSA-N 2 2 413.591 3.867 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474657602 995603152 /nfs/dbraw/zinc/60/31/52/995603152.db2.gz LXINVDSTOYLYDK-ZHAWHOEGSA-N 2 2 422.976 3.931 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474657602 995603158 /nfs/dbraw/zinc/60/31/58/995603158.db2.gz LXINVDSTOYLYDK-ZHAWHOEGSA-N 2 2 422.976 3.931 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719739 995705395 /nfs/dbraw/zinc/70/53/95/995705395.db2.gz UMEKMKFGPVQJLI-GGAORHGYSA-N 2 2 414.638 3.695 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482719739 995705405 /nfs/dbraw/zinc/70/54/05/995705405.db2.gz UMEKMKFGPVQJLI-GGAORHGYSA-N 2 2 414.638 3.695 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736388 995715307 /nfs/dbraw/zinc/71/53/07/995715307.db2.gz OUUXEVQQBHSQOA-VXNXHJTFSA-N 2 2 407.558 3.782 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736388 995715314 /nfs/dbraw/zinc/71/53/14/995715314.db2.gz OUUXEVQQBHSQOA-VXNXHJTFSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736388 995715321 /nfs/dbraw/zinc/71/53/21/995715321.db2.gz OUUXEVQQBHSQOA-VXNXHJTFSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736388 995715325 /nfs/dbraw/zinc/71/53/25/995715325.db2.gz OUUXEVQQBHSQOA-VXNXHJTFSA-N 2 2 407.558 3.782 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885226 995817010 /nfs/dbraw/zinc/81/70/10/995817010.db2.gz DOTGZFFCKNIUIJ-LJFZDNNRSA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885226 995817016 /nfs/dbraw/zinc/81/70/16/995817016.db2.gz DOTGZFFCKNIUIJ-LJFZDNNRSA-N 2 2 414.544 3.824 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024264 995878103 /nfs/dbraw/zinc/87/81/03/995878103.db2.gz RERHSHVHPDCRHB-QFBILLFUSA-N 2 2 414.377 3.531 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000475024264 995878107 /nfs/dbraw/zinc/87/81/07/995878107.db2.gz RERHSHVHPDCRHB-QFBILLFUSA-N 2 2 414.377 3.531 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475156190 995958424 /nfs/dbraw/zinc/95/84/24/995958424.db2.gz PSNAOUGZANZGDO-IEBWSBKVSA-N 2 2 402.608 3.987 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475156190 995958429 /nfs/dbraw/zinc/95/84/29/995958429.db2.gz PSNAOUGZANZGDO-IEBWSBKVSA-N 2 2 402.608 3.987 20 0 HHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475356283 996087293 /nfs/dbraw/zinc/08/72/93/996087293.db2.gz XXYIYBLYANPRDA-OOHWJJMZSA-N 2 2 413.484 3.807 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470074 996200430 /nfs/dbraw/zinc/20/04/30/996200430.db2.gz FTNRZCURFVRVKB-REWPJTCUSA-N 2 2 401.570 3.903 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470074 996200433 /nfs/dbraw/zinc/20/04/33/996200433.db2.gz FTNRZCURFVRVKB-REWPJTCUSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470074 996200435 /nfs/dbraw/zinc/20/04/35/996200435.db2.gz FTNRZCURFVRVKB-REWPJTCUSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470074 996200444 /nfs/dbraw/zinc/20/04/44/996200444.db2.gz FTNRZCURFVRVKB-REWPJTCUSA-N 2 2 401.570 3.903 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475064 996203800 /nfs/dbraw/zinc/20/38/00/996203800.db2.gz OGBRJWYQGHNHQZ-ILBGXUMGSA-N 2 2 405.586 3.741 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475064 996203806 /nfs/dbraw/zinc/20/38/06/996203806.db2.gz OGBRJWYQGHNHQZ-ILBGXUMGSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475064 996203809 /nfs/dbraw/zinc/20/38/09/996203809.db2.gz OGBRJWYQGHNHQZ-ILBGXUMGSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000483475064 996203816 /nfs/dbraw/zinc/20/38/16/996203816.db2.gz OGBRJWYQGHNHQZ-ILBGXUMGSA-N 2 2 405.586 3.741 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481340 996208315 /nfs/dbraw/zinc/20/83/15/996208315.db2.gz XUXAFEXEFFMZNP-BFLUCZKCSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481340 996208319 /nfs/dbraw/zinc/20/83/19/996208319.db2.gz XUXAFEXEFFMZNP-BFLUCZKCSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483481340 996208323 /nfs/dbraw/zinc/20/83/23/996208323.db2.gz XUXAFEXEFFMZNP-BFLUCZKCSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483481340 996208326 /nfs/dbraw/zinc/20/83/26/996208326.db2.gz XUXAFEXEFFMZNP-BFLUCZKCSA-N 2 2 422.569 3.615 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483519 996209744 /nfs/dbraw/zinc/20/97/44/996209744.db2.gz OBNYPPZPBUFIFD-NMVJMZGASA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483519 996209747 /nfs/dbraw/zinc/20/97/47/996209747.db2.gz OBNYPPZPBUFIFD-NMVJMZGASA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483519 996209752 /nfs/dbraw/zinc/20/97/52/996209752.db2.gz OBNYPPZPBUFIFD-NMVJMZGASA-N 2 2 409.549 3.790 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000483483519 996209755 /nfs/dbraw/zinc/20/97/55/996209755.db2.gz OBNYPPZPBUFIFD-NMVJMZGASA-N 2 2 409.549 3.790 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000483660448 996314229 /nfs/dbraw/zinc/31/42/29/996314229.db2.gz YXTMBNKAJHAPQU-GOSISDBHSA-N 2 2 421.545 3.738 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730871 996330603 /nfs/dbraw/zinc/33/06/03/996330603.db2.gz SLWNIGWPEKWAPY-YKSBVNFPSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730871 996330607 /nfs/dbraw/zinc/33/06/07/996330607.db2.gz SLWNIGWPEKWAPY-YKSBVNFPSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730871 996330609 /nfs/dbraw/zinc/33/06/09/996330609.db2.gz SLWNIGWPEKWAPY-YKSBVNFPSA-N 2 2 411.615 3.783 20 0 HHADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730871 996330615 /nfs/dbraw/zinc/33/06/15/996330615.db2.gz SLWNIGWPEKWAPY-YKSBVNFPSA-N 2 2 411.615 3.783 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751167 996347958 /nfs/dbraw/zinc/34/79/58/996347958.db2.gz VQJPDTYBQYJUJK-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751167 996347960 /nfs/dbraw/zinc/34/79/60/996347960.db2.gz VQJPDTYBQYJUJK-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475751167 996347963 /nfs/dbraw/zinc/34/79/63/996347963.db2.gz VQJPDTYBQYJUJK-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475751167 996347969 /nfs/dbraw/zinc/34/79/69/996347969.db2.gz VQJPDTYBQYJUJK-QFQXNSOFSA-N 2 2 421.585 3.688 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483766364 996373734 /nfs/dbraw/zinc/37/37/34/996373734.db2.gz ZKXBSTVKGUGNBS-MLCQCVOFSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483766364 996373737 /nfs/dbraw/zinc/37/37/37/996373737.db2.gz ZKXBSTVKGUGNBS-MLCQCVOFSA-N 2 2 422.658 3.559 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)CC2)CC1 ZINC000483929627 996474226 /nfs/dbraw/zinc/47/42/26/996474226.db2.gz WBOGCLQIQYFLNA-UHFFFAOYSA-N 2 2 418.630 3.616 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000483961850 996493343 /nfs/dbraw/zinc/49/33/43/996493343.db2.gz LNMPEGCXXSUIJV-UHFFFAOYSA-N 2 2 400.324 3.977 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000476010389 996539502 /nfs/dbraw/zinc/53/95/02/996539502.db2.gz NYQDMTUWNDCJRM-JXMROGBWSA-N 2 2 410.606 3.824 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476085644 996585767 /nfs/dbraw/zinc/58/57/67/996585767.db2.gz LYZWNNSXRMQRTQ-MRXNPFEDSA-N 2 2 412.484 3.746 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476085644 996585772 /nfs/dbraw/zinc/58/57/72/996585772.db2.gz LYZWNNSXRMQRTQ-MRXNPFEDSA-N 2 2 412.484 3.746 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484138562 996592498 /nfs/dbraw/zinc/59/24/98/996592498.db2.gz GZFXYMMBXHOGMY-NGYIFUPDSA-N 2 2 424.589 3.750 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484138562 996592502 /nfs/dbraw/zinc/59/25/02/996592502.db2.gz GZFXYMMBXHOGMY-NGYIFUPDSA-N 2 2 424.589 3.750 20 0 HHADLP Cc1c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)nnn1-c1cccc(Br)c1 ZINC000484289637 996681651 /nfs/dbraw/zinc/68/16/51/996681651.db2.gz GJZFMNDBEFXWSV-CQSZACIVSA-N 2 2 415.339 3.886 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000476314640 996750014 /nfs/dbraw/zinc/75/00/14/996750014.db2.gz NYERURBNGFZNAZ-JGQIHZOTSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000476314640 996750019 /nfs/dbraw/zinc/75/00/19/996750019.db2.gz NYERURBNGFZNAZ-JGQIHZOTSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000476314640 996750112 /nfs/dbraw/zinc/75/01/12/996750112.db2.gz NYERURBNGFZNAZ-JGQIHZOTSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000476314640 996750119 /nfs/dbraw/zinc/75/01/19/996750119.db2.gz NYERURBNGFZNAZ-JGQIHZOTSA-N 2 2 408.590 3.911 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000484477592 996797577 /nfs/dbraw/zinc/79/75/77/996797577.db2.gz QGGMPGQXAYEVSW-VQIMIIECSA-N 2 2 416.953 3.572 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000484477592 996797583 /nfs/dbraw/zinc/79/75/83/996797583.db2.gz QGGMPGQXAYEVSW-VQIMIIECSA-N 2 2 416.953 3.572 20 0 HHADLP COc1cc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614630 996947982 /nfs/dbraw/zinc/94/79/82/996947982.db2.gz KLOMOOZQJPYTRN-OAQYLSRUSA-N 2 2 401.595 3.665 20 0 HHADLP COc1cc(C[N@H+]2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614630 996947995 /nfs/dbraw/zinc/94/79/95/996947995.db2.gz KLOMOOZQJPYTRN-OAQYLSRUSA-N 2 2 401.595 3.665 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566554 997061031 /nfs/dbraw/zinc/06/10/31/997061031.db2.gz XALVDHPOWSVDGG-GOSISDBHSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566554 997061039 /nfs/dbraw/zinc/06/10/39/997061039.db2.gz XALVDHPOWSVDGG-GOSISDBHSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566554 997061057 /nfs/dbraw/zinc/06/10/57/997061057.db2.gz XALVDHPOWSVDGG-GOSISDBHSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000476566554 997061069 /nfs/dbraw/zinc/06/10/69/997061069.db2.gz XALVDHPOWSVDGG-GOSISDBHSA-N 2 2 411.512 3.860 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC1CC1 ZINC000476573166 997071235 /nfs/dbraw/zinc/07/12/35/997071235.db2.gz XQWVVPKYZJVRBT-HXUWFJFHSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC1CC1 ZINC000476573166 997071249 /nfs/dbraw/zinc/07/12/49/997071249.db2.gz XQWVVPKYZJVRBT-HXUWFJFHSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC1CC1 ZINC000476573166 997071260 /nfs/dbraw/zinc/07/12/60/997071260.db2.gz XQWVVPKYZJVRBT-HXUWFJFHSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC1CC1 ZINC000476573166 997071274 /nfs/dbraw/zinc/07/12/74/997071274.db2.gz XQWVVPKYZJVRBT-HXUWFJFHSA-N 2 2 400.611 3.999 20 0 HHADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396598 997825384 /nfs/dbraw/zinc/82/53/84/997825384.db2.gz MPTWIHFPPBQUFG-LPHOPBHVSA-N 2 2 410.965 3.599 20 0 HHADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000485396598 997825390 /nfs/dbraw/zinc/82/53/90/997825390.db2.gz MPTWIHFPPBQUFG-LPHOPBHVSA-N 2 2 410.965 3.599 20 0 HHADLP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000477288110 997971632 /nfs/dbraw/zinc/97/16/32/997971632.db2.gz AWGNGOXFELOXMY-GOSISDBHSA-N 2 2 408.537 3.541 20 0 HHADLP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000477288110 997971644 /nfs/dbraw/zinc/97/16/44/997971644.db2.gz AWGNGOXFELOXMY-GOSISDBHSA-N 2 2 408.537 3.541 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000477288487 997972667 /nfs/dbraw/zinc/97/26/67/997972667.db2.gz HJTFNESSZAZIRO-UXHICEINSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000477288487 997972678 /nfs/dbraw/zinc/97/26/78/997972678.db2.gz HJTFNESSZAZIRO-UXHICEINSA-N 2 2 422.976 3.713 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2)CC1 ZINC000485585508 998033682 /nfs/dbraw/zinc/03/36/82/998033682.db2.gz AKHQWSDDUAOOOT-QHCPKHFHSA-N 2 2 423.605 3.816 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000477868406 998618058 /nfs/dbraw/zinc/61/80/58/998618058.db2.gz OZZOATMQIPOHLF-UHFFFAOYSA-N 2 2 413.606 3.501 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000477868406 998618068 /nfs/dbraw/zinc/61/80/68/998618068.db2.gz OZZOATMQIPOHLF-UHFFFAOYSA-N 2 2 413.606 3.501 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000486188963 998630924 /nfs/dbraw/zinc/63/09/24/998630924.db2.gz ATFMJNFWNCRPMF-SFHVURJKSA-N 2 2 421.520 3.563 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000486693031 998894834 /nfs/dbraw/zinc/89/48/34/998894834.db2.gz CCPGCRJRGHVUNI-PKOBYXMFSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000486693031 998894839 /nfs/dbraw/zinc/89/48/39/998894839.db2.gz CCPGCRJRGHVUNI-PKOBYXMFSA-N 2 2 407.587 3.950 20 0 HHADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000486938306 999012661 /nfs/dbraw/zinc/01/26/61/999012661.db2.gz PUKZIKYUFDGKRO-UHFFFAOYSA-N 2 2 404.938 3.740 20 0 HHADLP COc1c(Br)cccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000478609554 999045559 /nfs/dbraw/zinc/04/55/59/999045559.db2.gz LCYIFZCFIIPUKK-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487922816 999316991 /nfs/dbraw/zinc/31/69/91/999316991.db2.gz XIVBVANKXPJTLB-XMMPIXPASA-N 2 2 407.562 3.536 20 0 HHADLP C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487922816 999316998 /nfs/dbraw/zinc/31/69/98/999316998.db2.gz XIVBVANKXPJTLB-XMMPIXPASA-N 2 2 407.562 3.536 20 0 HHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000479507230 999449778 /nfs/dbraw/zinc/44/97/78/999449778.db2.gz ZNSGQUKCXNBLJK-TZYSRNFLSA-N 2 2 419.513 3.514 20 0 HHADLP COc1c(Br)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000479539198 999467156 /nfs/dbraw/zinc/46/71/56/999467156.db2.gz GBSORUKPLAVFLS-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479540273 999468130 /nfs/dbraw/zinc/46/81/30/999468130.db2.gz IXAOIUXYQFOMAZ-UHFFFAOYSA-N 2 2 403.526 3.879 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCc4sc(Cl)cc43)CC2)CC1 ZINC000488516936 999514722 /nfs/dbraw/zinc/51/47/22/999514722.db2.gz QUNDWHPRDKZJPU-QGZVFWFLSA-N 2 2 411.015 3.637 20 0 HHADLP CN(C(=O)[C@H]1COc2ccc(Cl)cc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488784420 999606825 /nfs/dbraw/zinc/60/68/25/999606825.db2.gz LNPPVCFGWSSROX-HBMCJLEFSA-N 2 2 419.997 3.612 20 0 HHADLP CN(C(=O)[C@H]1COc2ccc(Cl)cc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488784420 999606826 /nfs/dbraw/zinc/60/68/26/999606826.db2.gz LNPPVCFGWSSROX-HBMCJLEFSA-N 2 2 419.997 3.612 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840040 999619948 /nfs/dbraw/zinc/61/99/48/999619948.db2.gz SAEVHSFLDZBHKO-YADHBBJMSA-N 2 2 416.516 3.661 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840040 999619950 /nfs/dbraw/zinc/61/99/50/999619950.db2.gz SAEVHSFLDZBHKO-YADHBBJMSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840040 999619952 /nfs/dbraw/zinc/61/99/52/999619952.db2.gz SAEVHSFLDZBHKO-YADHBBJMSA-N 2 2 416.516 3.661 20 0 HHADLP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000479840040 999619958 /nfs/dbraw/zinc/61/99/58/999619958.db2.gz SAEVHSFLDZBHKO-YADHBBJMSA-N 2 2 416.516 3.661 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000489120152 999705208 /nfs/dbraw/zinc/70/52/08/999705208.db2.gz STDDAIDAPOKTJB-XPNTWCBSSA-N 2 2 419.529 3.841 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278699 999735645 /nfs/dbraw/zinc/73/56/45/999735645.db2.gz OUROQDJYYRFVBV-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278699 999735646 /nfs/dbraw/zinc/73/56/46/999735646.db2.gz OUROQDJYYRFVBV-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000489426683 999765037 /nfs/dbraw/zinc/76/50/37/999765037.db2.gz XUHSOORIGVSSMR-LJQANCHMSA-N 2 2 410.562 3.964 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000489426683 999765039 /nfs/dbraw/zinc/76/50/39/999765039.db2.gz XUHSOORIGVSSMR-LJQANCHMSA-N 2 2 410.562 3.964 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2nccn2C)cc1 ZINC000480345332 999776320 /nfs/dbraw/zinc/77/63/20/999776320.db2.gz ZEYASJMTCDMNTQ-FDDCHVKYSA-N 2 2 408.546 3.809 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480610121 999840214 /nfs/dbraw/zinc/84/02/14/999840214.db2.gz LRTPVFLVUFIOFC-HNNXBMFYSA-N 2 2 421.463 3.666 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000480618945 999842666 /nfs/dbraw/zinc/84/26/66/999842666.db2.gz PVUQDPHWEBLAIN-UQBPGWFLSA-N 2 2 403.574 3.927 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000480618945 999842668 /nfs/dbraw/zinc/84/26/68/999842668.db2.gz PVUQDPHWEBLAIN-UQBPGWFLSA-N 2 2 403.574 3.927 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)(F)F ZINC000480624360 999843785 /nfs/dbraw/zinc/84/37/85/999843785.db2.gz YFFJIJYDVRFOMP-INIZCTEOSA-N 2 2 421.463 3.824 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000489919968 999862665 /nfs/dbraw/zinc/86/26/65/999862665.db2.gz YDWWTTOXZYCLBP-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490166917 999903079 /nfs/dbraw/zinc/90/30/79/999903079.db2.gz CMQGVDYGAANXGM-OAQYLSRUSA-N 2 2 412.603 3.527 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544665 999975165 /nfs/dbraw/zinc/97/51/65/999975165.db2.gz MCUKXLRPGYSCBZ-AYOQOUSVSA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Br)c2cccnc12 ZINC000490544665 999975167 /nfs/dbraw/zinc/97/51/67/999975167.db2.gz MCUKXLRPGYSCBZ-AYOQOUSVSA-N 2 2 404.352 3.681 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490770253 1000003887 /nfs/dbraw/zinc/00/38/87/1000003887.db2.gz ODPIQQSFDIQZRO-NKKJXINNSA-N 2 2 423.626 3.803 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490770253 1000003889 /nfs/dbraw/zinc/00/38/89/1000003889.db2.gz ODPIQQSFDIQZRO-NKKJXINNSA-N 2 2 423.626 3.803 20 0 HHADLP COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491024199 1000035073 /nfs/dbraw/zinc/03/50/73/1000035073.db2.gz SGZUJKUQZQQNOW-HXOBKFHXSA-N 2 2 417.981 3.672 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000491026937 1000035843 /nfs/dbraw/zinc/03/58/43/1000035843.db2.gz ZTWLUDVEEIULKY-KKSFZXQISA-N 2 2 420.370 3.903 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056686 1000040164 /nfs/dbraw/zinc/04/01/64/1000040164.db2.gz CGWACDQIRAOHNY-GHTZIAJQSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056686 1000040167 /nfs/dbraw/zinc/04/01/67/1000040167.db2.gz CGWACDQIRAOHNY-GHTZIAJQSA-N 2 2 403.929 3.746 20 0 HHADLP Cc1cc(Br)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1OC(F)F ZINC000491227725 1000056761 /nfs/dbraw/zinc/05/67/61/1000056761.db2.gz HRPKKWBSOAOFDB-UHFFFAOYSA-N 2 2 421.326 3.902 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000491981672 1000103598 /nfs/dbraw/zinc/10/35/98/1000103598.db2.gz VNCFJBLMFGVTKI-LJQANCHMSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)C1 ZINC000491981672 1000103599 /nfs/dbraw/zinc/10/35/99/1000103599.db2.gz VNCFJBLMFGVTKI-LJQANCHMSA-N 2 2 418.545 3.880 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492155291 1000112288 /nfs/dbraw/zinc/11/22/88/1000112288.db2.gz GMLKTDSEEOGPIA-QFIPXVFZSA-N 2 2 418.545 3.702 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492155291 1000112291 /nfs/dbraw/zinc/11/22/91/1000112291.db2.gz GMLKTDSEEOGPIA-QFIPXVFZSA-N 2 2 418.545 3.702 20 0 HHADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492350993 1000122709 /nfs/dbraw/zinc/12/27/09/1000122709.db2.gz LAMVSOKNYUFPIC-OAQYLSRUSA-N 2 2 404.518 3.503 20 0 HHADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492350993 1000122712 /nfs/dbraw/zinc/12/27/12/1000122712.db2.gz LAMVSOKNYUFPIC-OAQYLSRUSA-N 2 2 404.518 3.503 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](COC)c3ccc(Cl)cc3)cc2)CC1 ZINC000493971291 1000244975 /nfs/dbraw/zinc/24/49/75/1000244975.db2.gz WPXPHHGZZMGVQA-HSZRJFAPSA-N 2 2 401.982 3.955 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000504524141 1000250390 /nfs/dbraw/zinc/25/03/90/1000250390.db2.gz BBLIWNPMXBQAFG-FQEVSTJZSA-N 2 2 417.985 3.798 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335924 /nfs/dbraw/zinc/33/59/24/1000335924.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335930 /nfs/dbraw/zinc/33/59/30/1000335930.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335934 /nfs/dbraw/zinc/33/59/34/1000335934.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 2 401.501 3.737 20 0 HHADLP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494162989 1000335941 /nfs/dbraw/zinc/33/59/41/1000335941.db2.gz HYONRNASEGKZPF-FYYLOGMGSA-N 2 2 401.501 3.737 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000494215365 1000368184 /nfs/dbraw/zinc/36/81/84/1000368184.db2.gz HTMSPYNNRNEHBD-XZOQPEGZSA-N 2 2 419.529 3.874 20 0 HHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494979775 1000761125 /nfs/dbraw/zinc/76/11/25/1000761125.db2.gz YZQFSZOHFQDWQV-FQEVSTJZSA-N 2 2 421.511 3.697 20 0 HHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494979775 1000761129 /nfs/dbraw/zinc/76/11/29/1000761129.db2.gz YZQFSZOHFQDWQV-FQEVSTJZSA-N 2 2 421.511 3.697 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518154 1000859202 /nfs/dbraw/zinc/85/92/02/1000859202.db2.gz ZYNYZWXOAYPQCR-FHAGJXEFSA-N 2 2 421.585 3.645 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521727 1000864388 /nfs/dbraw/zinc/86/43/88/1000864388.db2.gz XXMIXPGRYOJDDK-URXFXBBRSA-N 2 2 421.585 3.813 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521727 1000864401 /nfs/dbraw/zinc/86/44/01/1000864401.db2.gz XXMIXPGRYOJDDK-URXFXBBRSA-N 2 2 421.585 3.813 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495756827 1001071445 /nfs/dbraw/zinc/07/14/45/1001071445.db2.gz BAMCXGGJMBHNHI-WOJBJXKFSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495756827 1001071456 /nfs/dbraw/zinc/07/14/56/1001071456.db2.gz BAMCXGGJMBHNHI-WOJBJXKFSA-N 2 2 419.635 3.583 20 0 HHADLP Clc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000506032700 1001177613 /nfs/dbraw/zinc/17/76/13/1001177613.db2.gz RVAJFXXSQVDPOW-UHFFFAOYSA-N 2 2 404.942 3.714 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000506053257 1001193944 /nfs/dbraw/zinc/19/39/44/1001193944.db2.gz GBGIDMDKYZOMHY-QHCPKHFHSA-N 2 2 418.541 3.725 20 0 HHADLP Cc1ccc(Nc2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cs2)cc1 ZINC000497492799 1001398832 /nfs/dbraw/zinc/39/88/32/1001398832.db2.gz SYKPGEAEZFQOGO-CBQGHPETSA-N 2 2 411.619 3.938 20 0 HHADLP Cc1ccc(Nc2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cs2)cc1 ZINC000497492799 1001398836 /nfs/dbraw/zinc/39/88/36/1001398836.db2.gz SYKPGEAEZFQOGO-CBQGHPETSA-N 2 2 411.619 3.938 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000506466904 1001425723 /nfs/dbraw/zinc/42/57/23/1001425723.db2.gz OMWYFIXUWMCVAR-MIZPHKNDSA-N 2 2 406.574 3.702 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000506466904 1001425728 /nfs/dbraw/zinc/42/57/28/1001425728.db2.gz OMWYFIXUWMCVAR-MIZPHKNDSA-N 2 2 406.574 3.702 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497643573 1001470014 /nfs/dbraw/zinc/47/00/14/1001470014.db2.gz RQEQIWMFYMPMPX-IPHXSNPTSA-N 2 2 419.520 3.629 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497643573 1001470016 /nfs/dbraw/zinc/47/00/16/1001470016.db2.gz RQEQIWMFYMPMPX-IPHXSNPTSA-N 2 2 419.520 3.629 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000506771636 1001521832 /nfs/dbraw/zinc/52/18/32/1001521832.db2.gz HLRUPWZLSKOVPH-UHFFFAOYSA-N 2 2 408.590 3.906 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000506771636 1001521838 /nfs/dbraw/zinc/52/18/38/1001521838.db2.gz HLRUPWZLSKOVPH-UHFFFAOYSA-N 2 2 408.590 3.906 20 0 HHADLP CN(c1ccccc1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000506861631 1001570446 /nfs/dbraw/zinc/57/04/46/1001570446.db2.gz MBITWCQEVIKGQN-UHFFFAOYSA-N 2 2 414.981 3.941 20 0 HHADLP CN(c1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000506861631 1001570448 /nfs/dbraw/zinc/57/04/48/1001570448.db2.gz MBITWCQEVIKGQN-UHFFFAOYSA-N 2 2 414.981 3.941 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506929492 1001599228 /nfs/dbraw/zinc/59/92/28/1001599228.db2.gz RBRNDJNVYSBRLQ-UHFFFAOYSA-N 2 2 420.189 3.994 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507087677 1001799356 /nfs/dbraw/zinc/79/93/56/1001799356.db2.gz PQMOBJXFQNIYLI-QFIPXVFZSA-N 2 2 421.589 3.904 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)([NH+]2CCCCC2)CC1 ZINC000498386648 1001816620 /nfs/dbraw/zinc/81/66/20/1001816620.db2.gz QOITYKAKGLNVQY-WXFUMESZSA-N 2 2 424.633 3.914 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@H]2c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000498406730 1001834927 /nfs/dbraw/zinc/83/49/27/1001834927.db2.gz CZDWGEUTPYIHKE-FQEVSTJZSA-N 2 2 404.986 3.747 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2(c3ccc(Cl)cc3)CCC2)([NH+]2CCCCC2)CC1 ZINC000498418942 1001847982 /nfs/dbraw/zinc/84/79/82/1001847982.db2.gz AJBPBCOCNJPAPJ-UHFFFAOYSA-N 2 2 419.013 3.969 20 0 HHADLP Fc1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498557257 1001972366 /nfs/dbraw/zinc/97/23/66/1001972366.db2.gz VVYDVAPRKBPJIL-OAQYLSRUSA-N 2 2 412.553 3.524 20 0 HHADLP Fc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498557257 1001972374 /nfs/dbraw/zinc/97/23/74/1001972374.db2.gz VVYDVAPRKBPJIL-OAQYLSRUSA-N 2 2 412.553 3.524 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(Cl)cc1 ZINC000507470802 1002090757 /nfs/dbraw/zinc/09/07/57/1002090757.db2.gz NQEHLBOPGUHTFI-BVYCBKJFSA-N 2 2 418.990 3.614 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(Cl)cc1 ZINC000507470802 1002090745 /nfs/dbraw/zinc/09/07/45/1002090745.db2.gz NQEHLBOPGUHTFI-BVYCBKJFSA-N 2 2 418.990 3.614 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)cc1 ZINC000498818273 1002201828 /nfs/dbraw/zinc/20/18/28/1002201828.db2.gz DNZZQGMRSYCHAF-QFIPXVFZSA-N 2 2 413.606 3.630 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C2CC2)cc1 ZINC000498818273 1002201834 /nfs/dbraw/zinc/20/18/34/1002201834.db2.gz DNZZQGMRSYCHAF-QFIPXVFZSA-N 2 2 413.606 3.630 20 0 HHADLP O=S(=O)(CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499139176 1002524479 /nfs/dbraw/zinc/52/44/79/1002524479.db2.gz ANBOJIRXXOWRTQ-JOZNFPNDSA-N 2 2 412.599 3.777 20 0 HHADLP O=S(=O)(CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499139176 1002524492 /nfs/dbraw/zinc/52/44/92/1002524492.db2.gz ANBOJIRXXOWRTQ-JOZNFPNDSA-N 2 2 412.599 3.777 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000499760047 1003099920 /nfs/dbraw/zinc/09/99/20/1003099920.db2.gz MALJXFXLKZSRAG-LEWJYISDSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000499760047 1003099933 /nfs/dbraw/zinc/09/99/33/1003099933.db2.gz MALJXFXLKZSRAG-LEWJYISDSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(C)c1 ZINC000500103820 1003465280 /nfs/dbraw/zinc/46/52/80/1003465280.db2.gz DVKWAIFGCDFQBM-XZOQPEGZSA-N 2 2 423.536 3.982 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020027 1003492028 /nfs/dbraw/zinc/49/20/28/1003492028.db2.gz BHIOQPYHARNIQS-ILBGXUMGSA-N 3 2 406.618 3.699 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020027 1003492024 /nfs/dbraw/zinc/49/20/24/1003492024.db2.gz BHIOQPYHARNIQS-ILBGXUMGSA-N 3 2 406.618 3.699 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000500136909 1003496024 /nfs/dbraw/zinc/49/60/24/1003496024.db2.gz XLLKJGSIXRBLJU-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000500672722 1003883092 /nfs/dbraw/zinc/88/30/92/1003883092.db2.gz ZJORXNSSHDZQLC-BGYRXZFFSA-N 2 2 409.578 3.861 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000500672722 1003883109 /nfs/dbraw/zinc/88/31/09/1003883109.db2.gz ZJORXNSSHDZQLC-BGYRXZFFSA-N 2 2 409.578 3.861 20 0 HHADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511921606 1003894994 /nfs/dbraw/zinc/89/49/94/1003894994.db2.gz HOPREHDYYQYXAP-IRXDYDNUSA-N 2 2 405.612 3.904 20 0 HHADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511921606 1003895009 /nfs/dbraw/zinc/89/50/09/1003895009.db2.gz HOPREHDYYQYXAP-IRXDYDNUSA-N 2 2 405.612 3.904 20 0 HHADLP COc1cccc(NC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509666284 1004014785 /nfs/dbraw/zinc/01/47/85/1004014785.db2.gz NQVRPMGFMJLJDF-UHFFFAOYSA-N 2 2 408.590 3.784 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509772472 1004085578 /nfs/dbraw/zinc/08/55/78/1004085578.db2.gz AUXJZKOOQCIJNA-NFBKMPQASA-N 2 2 417.557 3.972 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000509772472 1004085583 /nfs/dbraw/zinc/08/55/83/1004085583.db2.gz AUXJZKOOQCIJNA-NFBKMPQASA-N 2 2 417.557 3.972 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000500991963 1004099353 /nfs/dbraw/zinc/09/93/53/1004099353.db2.gz XMKPCFTWIVWTGG-IBGZPJMESA-N 2 2 410.965 3.791 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000509853470 1004150105 /nfs/dbraw/zinc/15/01/05/1004150105.db2.gz MHZMYMAUFCZFFS-VIZSFHNOSA-N 2 2 424.589 3.590 20 0 HHADLP CCC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281111 1004183301 /nfs/dbraw/zinc/18/33/01/1004183301.db2.gz QAUQSAJKZHUFAB-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281111 1004183307 /nfs/dbraw/zinc/18/33/07/1004183307.db2.gz QAUQSAJKZHUFAB-UHFFFAOYSA-N 2 2 423.561 3.616 20 0 HHADLP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512360118 1004246654 /nfs/dbraw/zinc/24/66/54/1004246654.db2.gz SHZVFZCWSVMJGZ-UHFFFAOYSA-N 2 2 403.530 3.803 20 0 HHADLP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512360118 1004246667 /nfs/dbraw/zinc/24/66/67/1004246667.db2.gz SHZVFZCWSVMJGZ-UHFFFAOYSA-N 2 2 403.530 3.803 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512424729 1004290934 /nfs/dbraw/zinc/29/09/34/1004290934.db2.gz SWDPGZKPTDIIJI-NWSQWKLXSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000512424729 1004290940 /nfs/dbraw/zinc/29/09/40/1004290940.db2.gz SWDPGZKPTDIIJI-NWSQWKLXSA-N 2 2 408.546 3.545 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000512424992 1004291471 /nfs/dbraw/zinc/29/14/71/1004291471.db2.gz WDBLOMWAYAKSTN-FCEUIQTBSA-N 2 2 407.562 3.527 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000512424992 1004291479 /nfs/dbraw/zinc/29/14/79/1004291479.db2.gz WDBLOMWAYAKSTN-FCEUIQTBSA-N 2 2 407.562 3.527 20 0 HHADLP Fc1ccc(-c2cc(C[NH+]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481753 1004334439 /nfs/dbraw/zinc/33/44/39/1004334439.db2.gz XXTAWUMGNARMHQ-HSZRJFAPSA-N 2 2 420.532 3.873 20 0 HHADLP Fc1ccc(-c2cc(C[NH+]3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cc1 ZINC000512481753 1004334443 /nfs/dbraw/zinc/33/44/43/1004334443.db2.gz XXTAWUMGNARMHQ-HSZRJFAPSA-N 2 2 420.532 3.873 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000501352498 1004362332 /nfs/dbraw/zinc/36/23/32/1004362332.db2.gz UARBPEBMPFVTQE-QHCPKHFHSA-N 2 2 413.537 3.610 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000501352498 1004362336 /nfs/dbraw/zinc/36/23/36/1004362336.db2.gz UARBPEBMPFVTQE-QHCPKHFHSA-N 2 2 413.537 3.610 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000512539355 1004370531 /nfs/dbraw/zinc/37/05/31/1004370531.db2.gz COXPMYDBDJZNHT-NZQKXSOJSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000512539355 1004370539 /nfs/dbraw/zinc/37/05/39/1004370539.db2.gz COXPMYDBDJZNHT-NZQKXSOJSA-N 2 2 402.542 3.962 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611232 1004424976 /nfs/dbraw/zinc/42/49/76/1004424976.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611232 1004424981 /nfs/dbraw/zinc/42/49/81/1004424981.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611232 1004424986 /nfs/dbraw/zinc/42/49/86/1004424986.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611232 1004424991 /nfs/dbraw/zinc/42/49/91/1004424991.db2.gz JAYJFOSZKBMCJD-YAOOYPAMSA-N 3 2 419.613 3.514 20 0 HHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483447 1004454613 /nfs/dbraw/zinc/45/46/13/1004454613.db2.gz IJGWJGNLSWIWBW-VQTJNVASSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000501483447 1004454618 /nfs/dbraw/zinc/45/46/18/1004454618.db2.gz IJGWJGNLSWIWBW-VQTJNVASSA-N 2 2 407.599 3.957 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4cccc5cccnc54)C3)CC2)nc1 ZINC000512664066 1004474773 /nfs/dbraw/zinc/47/47/73/1004474773.db2.gz VKHJRLTVIZHHHL-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)nc1 ZINC000512664066 1004474779 /nfs/dbraw/zinc/47/47/79/1004474779.db2.gz VKHJRLTVIZHHHL-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667441 1004477972 /nfs/dbraw/zinc/47/79/72/1004477972.db2.gz PLMFBLQGYPIZNG-VQTJNVASSA-N 2 2 423.454 3.863 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667441 1004477980 /nfs/dbraw/zinc/47/79/80/1004477980.db2.gz PLMFBLQGYPIZNG-VQTJNVASSA-N 2 2 423.454 3.863 20 0 HHADLP C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328610 1004485176 /nfs/dbraw/zinc/48/51/76/1004485176.db2.gz CUDCRXIQQUBACQ-ROUUACIJSA-N 2 2 418.557 3.842 20 0 HHADLP C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[NH+]1CCCCCC1 ZINC000510328610 1004485183 /nfs/dbraw/zinc/48/51/83/1004485183.db2.gz CUDCRXIQQUBACQ-ROUUACIJSA-N 2 2 418.557 3.842 20 0 HHADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC(F)F ZINC000512696615 1004500734 /nfs/dbraw/zinc/50/07/34/1004500734.db2.gz CERMRSRAAYZSOT-QZTJIDSGSA-N 2 2 411.537 3.677 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881470 1004793302 /nfs/dbraw/zinc/79/33/02/1004793302.db2.gz KVQIFXZSPWFYGH-OOQQOPARSA-N 2 2 424.511 3.506 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881470 1004793309 /nfs/dbraw/zinc/79/33/09/1004793309.db2.gz KVQIFXZSPWFYGH-OOQQOPARSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881470 1004793317 /nfs/dbraw/zinc/79/33/17/1004793317.db2.gz KVQIFXZSPWFYGH-OOQQOPARSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501881470 1004793324 /nfs/dbraw/zinc/79/33/24/1004793324.db2.gz KVQIFXZSPWFYGH-OOQQOPARSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000513212481 1004863486 /nfs/dbraw/zinc/86/34/86/1004863486.db2.gz MHYBBKFXTYLYIC-LJQANCHMSA-N 3 2 411.569 3.682 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000510912986 1004928794 /nfs/dbraw/zinc/92/87/94/1004928794.db2.gz NEUPYVVRJTVGKE-ZWKOTPCHSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000510912986 1004928798 /nfs/dbraw/zinc/92/87/98/1004928798.db2.gz NEUPYVVRJTVGKE-ZWKOTPCHSA-N 2 2 400.592 3.645 20 0 HHADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000513396660 1004942613 /nfs/dbraw/zinc/94/26/13/1004942613.db2.gz FOASPEFFMVKHQR-IBGZPJMESA-N 2 2 406.530 3.950 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000513396660 1004942621 /nfs/dbraw/zinc/94/26/21/1004942621.db2.gz FOASPEFFMVKHQR-IBGZPJMESA-N 2 2 406.530 3.950 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513405254 1004947668 /nfs/dbraw/zinc/94/76/68/1004947668.db2.gz FUQAQXJTYHMMPK-OHUMZHCVSA-N 2 2 406.574 3.665 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513405254 1004947672 /nfs/dbraw/zinc/94/76/72/1004947672.db2.gz FUQAQXJTYHMMPK-OHUMZHCVSA-N 2 2 406.574 3.665 20 0 HHADLP COc1cc(C)c(C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000502254970 1004979523 /nfs/dbraw/zinc/97/95/23/1004979523.db2.gz XMBHUCOPWCSJOG-GOSISDBHSA-N 2 2 412.578 3.981 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502322060 1005011525 /nfs/dbraw/zinc/01/15/25/1005011525.db2.gz PKGUTYXFXKDRFU-SFHVURJKSA-N 2 2 419.529 3.760 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502322060 1005011530 /nfs/dbraw/zinc/01/15/30/1005011530.db2.gz PKGUTYXFXKDRFU-SFHVURJKSA-N 2 2 419.529 3.760 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000502329149 1005015363 /nfs/dbraw/zinc/01/53/63/1005015363.db2.gz YVYHRKXARUZQQF-QTGUNEKASA-N 2 2 416.562 3.620 20 0 HHADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000502329149 1005015364 /nfs/dbraw/zinc/01/53/64/1005015364.db2.gz YVYHRKXARUZQQF-QTGUNEKASA-N 2 2 416.562 3.620 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000511640846 1005256572 /nfs/dbraw/zinc/25/65/72/1005256572.db2.gz RTFHFCNIMRSRAN-UHFFFAOYSA-N 2 2 422.352 3.749 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1Cl ZINC000514197063 1005307769 /nfs/dbraw/zinc/30/77/69/1005307769.db2.gz IDFBQCBTXRVAHM-OXJNMPFZSA-N 2 2 405.974 3.863 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514242249 1005329068 /nfs/dbraw/zinc/32/90/68/1005329068.db2.gz RBIXXHLYXFHAHN-JXFKEZNVSA-N 2 2 403.958 3.617 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503076033 1005339971 /nfs/dbraw/zinc/33/99/71/1005339971.db2.gz VKSLVSDCIVUVQI-AJSBUHFISA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503076033 1005339974 /nfs/dbraw/zinc/33/99/74/1005339974.db2.gz VKSLVSDCIVUVQI-AJSBUHFISA-N 2 2 410.562 3.919 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000503078827 1005341258 /nfs/dbraw/zinc/34/12/58/1005341258.db2.gz ABXYFBPUQVJRPZ-DCEDVJGZSA-N 2 2 414.553 3.940 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000503078827 1005341263 /nfs/dbraw/zinc/34/12/63/1005341263.db2.gz ABXYFBPUQVJRPZ-DCEDVJGZSA-N 2 2 414.553 3.940 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N[C@H]1CCCc2ccccc21 ZINC000503364436 1005398824 /nfs/dbraw/zinc/39/88/24/1005398824.db2.gz CXTQCJKQHHWZAV-REWPJTCUSA-N 2 2 406.574 3.983 20 0 HHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N[C@H]1CCCc2ccccc21 ZINC000503364436 1005398826 /nfs/dbraw/zinc/39/88/26/1005398826.db2.gz CXTQCJKQHHWZAV-REWPJTCUSA-N 2 2 406.574 3.983 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374117 1005401161 /nfs/dbraw/zinc/40/11/61/1005401161.db2.gz YVRZXAJZBKQKFD-OALUTQOASA-N 2 2 423.561 3.752 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374117 1005401163 /nfs/dbraw/zinc/40/11/63/1005401163.db2.gz YVRZXAJZBKQKFD-OALUTQOASA-N 2 2 423.561 3.752 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418397 1005414598 /nfs/dbraw/zinc/41/45/98/1005414598.db2.gz ZVHZBQVRSMGQGH-SFHVURJKSA-N 2 2 400.954 3.759 20 0 HHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccccc1Cl ZINC000503418397 1005414600 /nfs/dbraw/zinc/41/46/00/1005414600.db2.gz ZVHZBQVRSMGQGH-SFHVURJKSA-N 2 2 400.954 3.759 20 0 HHADLP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428673 1005417556 /nfs/dbraw/zinc/41/75/56/1005417556.db2.gz HNKNWBGPPSSOJT-SSPYTLHUSA-N 2 2 409.574 3.854 20 0 HHADLP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428673 1005417559 /nfs/dbraw/zinc/41/75/59/1005417559.db2.gz HNKNWBGPPSSOJT-SSPYTLHUSA-N 2 2 409.574 3.854 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)cc1 ZINC000503433425 1005418948 /nfs/dbraw/zinc/41/89/48/1005418948.db2.gz QHXWRNVPLZACJO-SFHVURJKSA-N 2 2 421.570 3.821 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)cc1 ZINC000503433425 1005418949 /nfs/dbraw/zinc/41/89/49/1005418949.db2.gz QHXWRNVPLZACJO-SFHVURJKSA-N 2 2 421.570 3.821 20 0 HHADLP O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437040 1005420099 /nfs/dbraw/zinc/42/00/99/1005420099.db2.gz WFAQSQKSZOJOFT-APWZRJJASA-N 2 2 423.479 3.858 20 0 HHADLP O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437040 1005420101 /nfs/dbraw/zinc/42/01/01/1005420101.db2.gz WFAQSQKSZOJOFT-APWZRJJASA-N 2 2 423.479 3.858 20 0 HHADLP COc1ccccc1Nc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000503453047 1005424816 /nfs/dbraw/zinc/42/48/16/1005424816.db2.gz GYOGZHPISPLAIB-UHFFFAOYSA-N 2 2 422.573 3.727 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503469613 1005430026 /nfs/dbraw/zinc/43/00/26/1005430026.db2.gz ZINAWLUOHNCGSJ-QHCPKHFHSA-N 2 2 423.605 3.772 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000503489940 1005435349 /nfs/dbraw/zinc/43/53/49/1005435349.db2.gz QXCLRBDMCDFMTC-HSZRJFAPSA-N 2 2 418.541 3.764 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000503489940 1005435351 /nfs/dbraw/zinc/43/53/51/1005435351.db2.gz QXCLRBDMCDFMTC-HSZRJFAPSA-N 2 2 418.541 3.764 20 0 HHADLP Brc1ccc2[nH+]ccc(NCc3ccccc3C[NH+]3CCOCC3)c2c1 ZINC000503558549 1005452302 /nfs/dbraw/zinc/45/23/02/1005452302.db2.gz URSAGPRBDYMSHF-UHFFFAOYSA-N 2 2 412.331 3.864 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000514436527 1005988581 /nfs/dbraw/zinc/98/85/81/1005988581.db2.gz IJSKQEVQGZUCPS-IBGZPJMESA-N 2 2 412.603 3.801 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534198452 1006189229 /nfs/dbraw/zinc/18/92/29/1006189229.db2.gz TYJPSRDJGWQPPB-VXKWHMMOSA-N 2 2 402.583 3.634 20 0 HHADLP COCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534198452 1006189238 /nfs/dbraw/zinc/18/92/38/1006189238.db2.gz TYJPSRDJGWQPPB-VXKWHMMOSA-N 2 2 402.583 3.634 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000534207079 1006200687 /nfs/dbraw/zinc/20/06/87/1006200687.db2.gz LOJZYFKBEKSQMY-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000534207079 1006200695 /nfs/dbraw/zinc/20/06/95/1006200695.db2.gz LOJZYFKBEKSQMY-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)n2)C1 ZINC000534232123 1006232640 /nfs/dbraw/zinc/23/26/40/1006232640.db2.gz VLHWGJWIPZOJMK-OAHLLOKOSA-N 2 2 419.570 3.897 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)c(F)c3)n2)C1 ZINC000534232123 1006232649 /nfs/dbraw/zinc/23/26/49/1006232649.db2.gz VLHWGJWIPZOJMK-OAHLLOKOSA-N 2 2 419.570 3.897 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000531585041 1006287006 /nfs/dbraw/zinc/28/70/06/1006287006.db2.gz MWDPNFSOQLMQNS-JRGCBEDISA-N 2 2 415.969 3.966 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358919 1006322010 /nfs/dbraw/zinc/32/20/10/1006322010.db2.gz QHSZPIAFKCBNTA-WOJBJXKFSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358919 1006322022 /nfs/dbraw/zinc/32/20/22/1006322022.db2.gz QHSZPIAFKCBNTA-WOJBJXKFSA-N 2 2 400.592 3.706 20 0 HHADLP COc1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358932 1006322072 /nfs/dbraw/zinc/32/20/72/1006322072.db2.gz PLSCHSGQINLBHN-PKTZIBPZSA-N 2 2 424.589 3.653 20 0 HHADLP COc1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358932 1006322085 /nfs/dbraw/zinc/32/20/85/1006322085.db2.gz PLSCHSGQINLBHN-PKTZIBPZSA-N 2 2 424.589 3.653 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361719 1006327742 /nfs/dbraw/zinc/32/77/42/1006327742.db2.gz RMCVNEIOWRCFKF-GOTSBHOMSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361719 1006327754 /nfs/dbraw/zinc/32/77/54/1006327754.db2.gz RMCVNEIOWRCFKF-GOTSBHOMSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534362364 1006328737 /nfs/dbraw/zinc/32/87/37/1006328737.db2.gz DGDQGYRATRINES-MSOLQXFVSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534362364 1006328748 /nfs/dbraw/zinc/32/87/48/1006328748.db2.gz DGDQGYRATRINES-MSOLQXFVSA-N 2 2 406.640 3.850 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381913 1006353064 /nfs/dbraw/zinc/35/30/64/1006353064.db2.gz JZGGTSCERSADMW-JRGCBEDISA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381913 1006353079 /nfs/dbraw/zinc/35/30/79/1006353079.db2.gz JZGGTSCERSADMW-JRGCBEDISA-N 2 2 422.976 3.884 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385217 1006358729 /nfs/dbraw/zinc/35/87/29/1006358729.db2.gz UFDRHWSXKWHWGD-NRDMVMEKSA-N 2 2 410.672 3.639 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385217 1006358732 /nfs/dbraw/zinc/35/87/32/1006358732.db2.gz UFDRHWSXKWHWGD-NRDMVMEKSA-N 2 2 410.672 3.639 20 0 HHADLP COc1ccc([C@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000531777444 1006418265 /nfs/dbraw/zinc/41/82/65/1006418265.db2.gz YBWLXRYGYICVDQ-FQEVSTJZSA-N 2 2 401.576 3.775 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000515382351 1006428758 /nfs/dbraw/zinc/42/87/58/1006428758.db2.gz KIBDGTIOIJVREL-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000515382351 1006428766 /nfs/dbraw/zinc/42/87/66/1006428766.db2.gz KIBDGTIOIJVREL-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954097 1006542935 /nfs/dbraw/zinc/54/29/35/1006542935.db2.gz FNNZRGDPHIIDRD-PGRDOPGGSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954097 1006542945 /nfs/dbraw/zinc/54/29/45/1006542945.db2.gz FNNZRGDPHIIDRD-PGRDOPGGSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000531958657 1006546548 /nfs/dbraw/zinc/54/65/48/1006546548.db2.gz YEEVDHSPFMYZAO-MBSDFSHPSA-N 2 2 424.980 3.560 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351212 1006617996 /nfs/dbraw/zinc/61/79/96/1006617996.db2.gz WEOCPKAZWSANIH-PMACEKPBSA-N 2 2 416.614 3.581 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351212 1006618003 /nfs/dbraw/zinc/61/80/03/1006618003.db2.gz WEOCPKAZWSANIH-PMACEKPBSA-N 2 2 416.614 3.581 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000538391036 1006660527 /nfs/dbraw/zinc/66/05/27/1006660527.db2.gz XUUAGUIUSVZZBV-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3c(F)cccc3F)CC2)cc1 ZINC000538391036 1006660536 /nfs/dbraw/zinc/66/05/36/1006660536.db2.gz XUUAGUIUSVZZBV-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000515840826 1006711121 /nfs/dbraw/zinc/71/11/21/1006711121.db2.gz VXYMMBXWFZOZKH-HSZRJFAPSA-N 2 2 423.605 3.824 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1Br ZINC000532198538 1006715130 /nfs/dbraw/zinc/71/51/30/1006715130.db2.gz JFODMTXSZLFFLF-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000532222744 1006731917 /nfs/dbraw/zinc/73/19/17/1006731917.db2.gz NVUISOXBNLGGHH-UYAOXDASSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000532222744 1006731930 /nfs/dbraw/zinc/73/19/30/1006731930.db2.gz NVUISOXBNLGGHH-UYAOXDASSA-N 2 2 411.546 3.675 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467543 1006736749 /nfs/dbraw/zinc/73/67/49/1006736749.db2.gz IVXYIJWVLHMYJS-AZUAARDMSA-N 2 2 409.496 3.614 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467543 1006736759 /nfs/dbraw/zinc/73/67/59/1006736759.db2.gz IVXYIJWVLHMYJS-AZUAARDMSA-N 2 2 409.496 3.614 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534790668 1006792230 /nfs/dbraw/zinc/79/22/30/1006792230.db2.gz LUYKLIZDUGKMLW-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534790668 1006792239 /nfs/dbraw/zinc/79/22/39/1006792239.db2.gz LUYKLIZDUGKMLW-YADHBBJMSA-N 2 2 423.948 3.829 20 0 HHADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1NC(C)=O ZINC000538587313 1006853536 /nfs/dbraw/zinc/85/35/36/1006853536.db2.gz QEACLPFPAPTKKW-MRXNPFEDSA-N 2 2 411.550 3.752 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000532447532 1006890374 /nfs/dbraw/zinc/89/03/74/1006890374.db2.gz USUYQULXJRFDIV-MRXNPFEDSA-N 2 2 401.938 3.587 20 0 HHADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448597 1006890981 /nfs/dbraw/zinc/89/09/81/1006890981.db2.gz KIAXNQCHCVDUQZ-IBGZPJMESA-N 2 2 411.546 3.515 20 0 HHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965422 1007017961 /nfs/dbraw/zinc/01/79/61/1007017961.db2.gz VBRBDLBAJBLKFG-FQEVSTJZSA-N 2 2 402.546 3.711 20 0 HHADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965422 1007017977 /nfs/dbraw/zinc/01/79/77/1007017977.db2.gz VBRBDLBAJBLKFG-FQEVSTJZSA-N 2 2 402.546 3.711 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000538737553 1007020143 /nfs/dbraw/zinc/02/01/43/1007020143.db2.gz LYSILOYNGGMKPY-SFHVURJKSA-N 2 2 422.602 3.853 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000538737553 1007020159 /nfs/dbraw/zinc/02/01/59/1007020159.db2.gz LYSILOYNGGMKPY-SFHVURJKSA-N 2 2 422.602 3.853 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534975549 1007033394 /nfs/dbraw/zinc/03/33/94/1007033394.db2.gz GSBWIZHXAIWVIO-OXJNMPFZSA-N 2 2 419.932 3.668 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534975549 1007033408 /nfs/dbraw/zinc/03/34/08/1007033408.db2.gz GSBWIZHXAIWVIO-OXJNMPFZSA-N 2 2 419.932 3.668 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094511 1007109124 /nfs/dbraw/zinc/10/91/24/1007109124.db2.gz IQDACYKHDINRDR-RBUKOAKNSA-N 2 2 406.640 3.813 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094511 1007109130 /nfs/dbraw/zinc/10/91/30/1007109130.db2.gz IQDACYKHDINRDR-RBUKOAKNSA-N 2 2 406.640 3.813 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095648 1007111467 /nfs/dbraw/zinc/11/14/67/1007111467.db2.gz ORGGDCIMCWSDGG-XPWALMASSA-N 2 2 405.627 3.688 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095648 1007111475 /nfs/dbraw/zinc/11/14/75/1007111475.db2.gz ORGGDCIMCWSDGG-XPWALMASSA-N 2 2 405.627 3.688 20 0 HHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000538851959 1007125833 /nfs/dbraw/zinc/12/58/33/1007125833.db2.gz KWDOPXDHOIYRAT-UHFFFAOYSA-N 2 2 418.545 3.715 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110005 1007135649 /nfs/dbraw/zinc/13/56/49/1007135649.db2.gz HIDXZXLTUIVAHM-LEWJYISDSA-N 2 2 406.640 3.789 20 0 HHADLP CCc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535110005 1007135657 /nfs/dbraw/zinc/13/56/57/1007135657.db2.gz HIDXZXLTUIVAHM-LEWJYISDSA-N 2 2 406.640 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccnc2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000535110198 1007135816 /nfs/dbraw/zinc/13/58/16/1007135816.db2.gz IMKGJIWNUNWXBR-UHFFFAOYSA-N 2 2 407.562 3.820 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535114408 1007141044 /nfs/dbraw/zinc/14/10/44/1007141044.db2.gz BWEJOYIXGFLXSK-VQTJNVASSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535114408 1007141049 /nfs/dbraw/zinc/14/10/49/1007141049.db2.gz BWEJOYIXGFLXSK-VQTJNVASSA-N 2 2 422.932 3.591 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000532735000 1007146005 /nfs/dbraw/zinc/14/60/05/1007146005.db2.gz SJMBVJBIPBGODG-UHFFFAOYSA-N 2 2 405.489 3.551 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117390 1007146734 /nfs/dbraw/zinc/14/67/34/1007146734.db2.gz QTJATCYZJNXEEM-WOJBJXKFSA-N 2 2 410.965 3.740 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117390 1007146745 /nfs/dbraw/zinc/14/67/45/1007146745.db2.gz QTJATCYZJNXEEM-WOJBJXKFSA-N 2 2 410.965 3.740 20 0 HHADLP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000538869913 1007148616 /nfs/dbraw/zinc/14/86/16/1007148616.db2.gz WUGYVKGWFRDRTF-IBGZPJMESA-N 2 2 416.635 3.812 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535121323 1007153511 /nfs/dbraw/zinc/15/35/11/1007153511.db2.gz KCPGCQYZAAYFCN-GMKZXUHWSA-N 2 2 412.622 3.523 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535121323 1007153515 /nfs/dbraw/zinc/15/35/15/1007153515.db2.gz KCPGCQYZAAYFCN-GMKZXUHWSA-N 2 2 412.622 3.523 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122082 1007154928 /nfs/dbraw/zinc/15/49/28/1007154928.db2.gz QFBJZRVTIAOZGP-GMKZXUHWSA-N 2 2 414.638 3.986 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122082 1007154935 /nfs/dbraw/zinc/15/49/35/1007154935.db2.gz QFBJZRVTIAOZGP-GMKZXUHWSA-N 2 2 414.638 3.986 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000516578702 1007165251 /nfs/dbraw/zinc/16/52/51/1007165251.db2.gz JXXUGBKARGDIAF-OALUTQOASA-N 2 2 401.599 3.628 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882525 1007327505 /nfs/dbraw/zinc/32/75/05/1007327505.db2.gz HWDDBKFYNHQBOH-AQNXPRMDSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000516882525 1007327522 /nfs/dbraw/zinc/32/75/22/1007327522.db2.gz HWDDBKFYNHQBOH-AQNXPRMDSA-N 2 2 411.512 3.874 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 ZINC000532966296 1007332318 /nfs/dbraw/zinc/33/23/18/1007332318.db2.gz XDQPODKYOPGDJL-UHFFFAOYSA-N 2 2 409.317 3.548 20 0 HHADLP CC(C[NH+]1CCC[C@H](OCC(F)(F)F)C1)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532968841 1007335090 /nfs/dbraw/zinc/33/50/90/1007335090.db2.gz WYZNULOZKAIZGK-HOTGVXAUSA-N 2 2 420.438 3.709 20 0 HHADLP CC(C[NH+]1CCC[C@H](OCC(F)(F)F)C1)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000532968841 1007335101 /nfs/dbraw/zinc/33/51/01/1007335101.db2.gz WYZNULOZKAIZGK-HOTGVXAUSA-N 2 2 420.438 3.709 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062009 1007354696 /nfs/dbraw/zinc/35/46/96/1007354696.db2.gz QCLBQUTWMBLPNO-ZWCUEREDSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062009 1007354710 /nfs/dbraw/zinc/35/47/10/1007354710.db2.gz QCLBQUTWMBLPNO-ZWCUEREDSA-N 2 2 421.507 3.752 20 0 HHADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000539076594 1007368232 /nfs/dbraw/zinc/36/82/32/1007368232.db2.gz AHNLXCRCDOKIEZ-GOTSBHOMSA-N 2 2 423.605 3.529 20 0 HHADLP C[C@@H](OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000517046640 1007380666 /nfs/dbraw/zinc/38/06/66/1007380666.db2.gz FKTVHZJMIRAVBL-DNVCBOLYSA-N 2 2 403.885 3.893 20 0 HHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2c(cc1Br)OCCO2 ZINC000539092273 1007381980 /nfs/dbraw/zinc/38/19/80/1007381980.db2.gz RLCRHOWYRPXHQF-CQSZACIVSA-N 2 2 418.335 3.935 20 0 HHADLP Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCCC2)c1 ZINC000533051421 1007414996 /nfs/dbraw/zinc/41/49/96/1007414996.db2.gz PWFKVUPBBNBJPS-UHFFFAOYSA-N 2 2 407.558 3.825 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C[C@@H](C)O1 ZINC000539150313 1007446362 /nfs/dbraw/zinc/44/63/62/1007446362.db2.gz VHVQMXTZTCXJET-IAGOWNOFSA-N 2 2 421.632 3.962 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1OCc1ccccc1 ZINC000539214397 1007505664 /nfs/dbraw/zinc/50/56/64/1007505664.db2.gz JUGKGUVNASJBOU-JOCHJYFZSA-N 2 2 423.601 3.713 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172689 1007513688 /nfs/dbraw/zinc/51/36/88/1007513688.db2.gz YZYASGWUTMFZPW-LEWJYISDSA-N 2 2 422.976 3.931 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533172689 1007513698 /nfs/dbraw/zinc/51/36/98/1007513698.db2.gz YZYASGWUTMFZPW-LEWJYISDSA-N 2 2 422.976 3.931 20 0 HHADLP CN(CC[N@H+](C)Cc1cccc(Br)c1OC(F)F)C1CC[NH+](C)CC1 ZINC000539248361 1007541553 /nfs/dbraw/zinc/54/15/53/1007541553.db2.gz ULLVDQVHLFUTPR-UHFFFAOYSA-N 2 2 420.342 3.508 20 0 HHADLP CN(CC[N@@H+](C)Cc1cccc(Br)c1OC(F)F)C1CC[NH+](C)CC1 ZINC000539248361 1007541555 /nfs/dbraw/zinc/54/15/55/1007541555.db2.gz ULLVDQVHLFUTPR-UHFFFAOYSA-N 2 2 420.342 3.508 20 0 HHADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000539266078 1007560234 /nfs/dbraw/zinc/56/02/34/1007560234.db2.gz MQHKRLOVOCXKKG-MRXNPFEDSA-N 2 2 417.550 3.672 20 0 HHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000533243674 1007563503 /nfs/dbraw/zinc/56/35/03/1007563503.db2.gz XOZRQWAHXKBOIX-UHFFFAOYSA-N 2 2 404.555 3.942 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000533308271 1007625033 /nfs/dbraw/zinc/62/50/33/1007625033.db2.gz FVFBUQHDIILKRF-QFIPXVFZSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000533308271 1007625041 /nfs/dbraw/zinc/62/50/41/1007625041.db2.gz FVFBUQHDIILKRF-QFIPXVFZSA-N 2 2 422.573 3.518 20 0 HHADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccc(F)cc2)n1 ZINC000517403488 1007628774 /nfs/dbraw/zinc/62/87/74/1007628774.db2.gz XYZGSSRGCFFJTA-XMMPIXPASA-N 2 2 408.521 3.911 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(-c4ccc5c(c4)OCO5)n3)[nH+]c2)C1 ZINC000533315300 1007630133 /nfs/dbraw/zinc/63/01/33/1007630133.db2.gz CDFWYPGSFLEODO-GOSISDBHSA-N 2 2 423.542 3.686 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535655292 1007668292 /nfs/dbraw/zinc/66/82/92/1007668292.db2.gz NOKQAJASRZXCND-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535655292 1007668298 /nfs/dbraw/zinc/66/82/98/1007668298.db2.gz NOKQAJASRZXCND-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535660191 1007676245 /nfs/dbraw/zinc/67/62/45/1007676245.db2.gz WSVOZKAWNWNXJT-IRXDYDNUSA-N 2 2 422.643 3.637 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535660191 1007676252 /nfs/dbraw/zinc/67/62/52/1007676252.db2.gz WSVOZKAWNWNXJT-IRXDYDNUSA-N 2 2 422.643 3.637 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000539372991 1007677045 /nfs/dbraw/zinc/67/70/45/1007677045.db2.gz CQSVNAFWDMJDBS-IBGZPJMESA-N 2 2 410.537 3.651 20 0 HHADLP CCC(CC)n1nc(C)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539392375 1007696706 /nfs/dbraw/zinc/69/67/06/1007696706.db2.gz RTBUMTNWDZTQRF-FCHUYYIVSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539392375 1007696718 /nfs/dbraw/zinc/69/67/18/1007696718.db2.gz RTBUMTNWDZTQRF-FCHUYYIVSA-N 2 2 417.642 3.962 20 0 HHADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533386574 1007698612 /nfs/dbraw/zinc/69/86/12/1007698612.db2.gz WNSZMUPXVQHEPK-VWLOTQADSA-N 2 2 407.558 3.978 20 0 HHADLP CC[NH+]1CCN(c2ccc(-c3noc([C@@H](c4ccccc4)[NH+](C)C)n3)cc2F)CC1 ZINC000517579363 1007782743 /nfs/dbraw/zinc/78/27/43/1007782743.db2.gz PBQWZNJBGWKEFU-OAQYLSRUSA-N 2 2 409.509 3.669 20 0 HHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000539490790 1007801965 /nfs/dbraw/zinc/80/19/65/1007801965.db2.gz FNZNAHJKFPGJPG-LJQANCHMSA-N 2 2 413.537 3.528 20 0 HHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000539490790 1007801974 /nfs/dbraw/zinc/80/19/74/1007801974.db2.gz FNZNAHJKFPGJPG-LJQANCHMSA-N 2 2 413.537 3.528 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539495394 1007806956 /nfs/dbraw/zinc/80/69/56/1007806956.db2.gz OYLNNNBDLHLQSU-MRXNPFEDSA-N 2 2 412.921 3.871 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539516068 1007826071 /nfs/dbraw/zinc/82/60/71/1007826071.db2.gz TYOJOVMXFMTJJW-SANMLTNESA-N 2 2 418.585 3.583 20 0 HHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539516068 1007826082 /nfs/dbraw/zinc/82/60/82/1007826082.db2.gz TYOJOVMXFMTJJW-SANMLTNESA-N 2 2 418.585 3.583 20 0 HHADLP Clc1cccc(-n2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nn2)c1Cl ZINC000535839300 1007850224 /nfs/dbraw/zinc/85/02/24/1007850224.db2.gz TWWYJVDRPFRDQW-UHFFFAOYSA-N 2 2 403.317 3.728 20 0 HHADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532178 1007853363 /nfs/dbraw/zinc/85/33/63/1007853363.db2.gz LZLBPTMVWQMBBK-HXUWFJFHSA-N 2 2 415.626 3.990 20 0 HHADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532178 1007853374 /nfs/dbraw/zinc/85/33/74/1007853374.db2.gz LZLBPTMVWQMBBK-HXUWFJFHSA-N 2 2 415.626 3.990 20 0 HHADLP CC[N@H+](CC(=O)NCc1cccs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531646 1007853623 /nfs/dbraw/zinc/85/36/23/1007853623.db2.gz AQHNJISGOAYBHV-UHFFFAOYSA-N 2 2 415.607 3.577 20 0 HHADLP CC[N@@H+](CC(=O)NCc1cccs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531646 1007853636 /nfs/dbraw/zinc/85/36/36/1007853636.db2.gz AQHNJISGOAYBHV-UHFFFAOYSA-N 2 2 415.607 3.577 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850933 1007865109 /nfs/dbraw/zinc/86/51/09/1007865109.db2.gz WSTBBAGRRGGWBG-RBUKOAKNSA-N 2 2 422.017 3.663 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850933 1007865117 /nfs/dbraw/zinc/86/51/17/1007865117.db2.gz WSTBBAGRRGGWBG-RBUKOAKNSA-N 2 2 422.017 3.663 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850896 1007865384 /nfs/dbraw/zinc/86/53/84/1007865384.db2.gz VCDKLOMQCXENNZ-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccnc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850896 1007865389 /nfs/dbraw/zinc/86/53/89/1007865389.db2.gz VCDKLOMQCXENNZ-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874304 1007891836 /nfs/dbraw/zinc/89/18/36/1007891836.db2.gz AMZFCBQUFVCXNW-PWIZWCRZSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874304 1007891844 /nfs/dbraw/zinc/89/18/44/1007891844.db2.gz AMZFCBQUFVCXNW-PWIZWCRZSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874304 1007891859 /nfs/dbraw/zinc/89/18/59/1007891859.db2.gz AMZFCBQUFVCXNW-PWIZWCRZSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874304 1007891869 /nfs/dbraw/zinc/89/18/69/1007891869.db2.gz AMZFCBQUFVCXNW-PWIZWCRZSA-N 2 2 410.965 3.740 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649641 1007961042 /nfs/dbraw/zinc/96/10/42/1007961042.db2.gz PUTBXXKDHAOCHE-RPWUZVMVSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649641 1007961054 /nfs/dbraw/zinc/96/10/54/1007961054.db2.gz PUTBXXKDHAOCHE-RPWUZVMVSA-N 2 2 410.606 3.896 20 0 HHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cn1cccn1 ZINC000539660858 1007977908 /nfs/dbraw/zinc/97/79/08/1007977908.db2.gz QZPKYXYIXLDTEK-AVRDEDQJSA-N 2 2 420.561 3.648 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665965 1007981318 /nfs/dbraw/zinc/98/13/18/1007981318.db2.gz XDDPMRYMWHRTES-FCHUYYIVSA-N 2 2 412.578 3.911 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665965 1007981330 /nfs/dbraw/zinc/98/13/30/1007981330.db2.gz XDDPMRYMWHRTES-FCHUYYIVSA-N 2 2 412.578 3.911 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672327 1007990714 /nfs/dbraw/zinc/99/07/14/1007990714.db2.gz KEWHDQKBNLDCDQ-DUXKGJEZSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672327 1007990722 /nfs/dbraw/zinc/99/07/22/1007990722.db2.gz KEWHDQKBNLDCDQ-DUXKGJEZSA-N 2 2 406.640 3.658 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672440 1007991675 /nfs/dbraw/zinc/99/16/75/1007991675.db2.gz QJDQOSMGQPPQED-ZEQRLZLVSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672440 1007991678 /nfs/dbraw/zinc/99/16/78/1007991678.db2.gz QJDQOSMGQPPQED-ZEQRLZLVSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccccc1 ZINC000539687825 1008007695 /nfs/dbraw/zinc/00/76/95/1008007695.db2.gz FLNHOIDOJVFYCP-QGZVFWFLSA-N 2 2 405.550 3.674 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683808 1008008149 /nfs/dbraw/zinc/00/81/49/1008008149.db2.gz VMPBCWYENHJGDY-CTNGQTDRSA-N 2 2 419.928 3.595 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683808 1008008160 /nfs/dbraw/zinc/00/81/60/1008008160.db2.gz VMPBCWYENHJGDY-CTNGQTDRSA-N 2 2 419.928 3.595 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000539789652 1008096981 /nfs/dbraw/zinc/09/69/81/1008096981.db2.gz QLWZKNJYIKPNBI-UHFFFAOYSA-N 2 2 414.553 3.696 20 0 HHADLP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1)Cc1ccccc1 ZINC000539836003 1008128527 /nfs/dbraw/zinc/12/85/27/1008128527.db2.gz OAEBTEQGUWBEDG-UHFFFAOYSA-N 2 2 419.491 3.564 20 0 HHADLP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1)Cc1ccccc1 ZINC000539836003 1008128529 /nfs/dbraw/zinc/12/85/29/1008128529.db2.gz OAEBTEQGUWBEDG-UHFFFAOYSA-N 2 2 419.491 3.564 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824426 1008135878 /nfs/dbraw/zinc/13/58/78/1008135878.db2.gz HOBYEISFSAPVRK-PKTZIBPZSA-N 2 2 403.530 3.727 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824426 1008135882 /nfs/dbraw/zinc/13/58/82/1008135882.db2.gz HOBYEISFSAPVRK-PKTZIBPZSA-N 2 2 403.530 3.727 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000518099800 1008158797 /nfs/dbraw/zinc/15/87/97/1008158797.db2.gz GZIRQASXMFVXRY-KNQAVFIVSA-N 2 2 400.567 3.562 20 0 HHADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533879224 1008176852 /nfs/dbraw/zinc/17/68/52/1008176852.db2.gz JGTGHVBGMSXXAO-OAQYLSRUSA-N 2 2 415.541 3.896 20 0 HHADLP CN(C(=O)N[C@@H](c1cccnc1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533964729 1008237756 /nfs/dbraw/zinc/23/77/56/1008237756.db2.gz BCPSVALPOQIHDN-DNVJHFABSA-N 2 2 413.610 3.511 20 0 HHADLP CN(C(=O)N[C@@H](c1cccnc1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533964729 1008237762 /nfs/dbraw/zinc/23/77/62/1008237762.db2.gz BCPSVALPOQIHDN-DNVJHFABSA-N 2 2 413.610 3.511 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332707 1008265014 /nfs/dbraw/zinc/26/50/14/1008265014.db2.gz CRIBZLJPNNTNON-UXHICEINSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332707 1008265018 /nfs/dbraw/zinc/26/50/18/1008265018.db2.gz CRIBZLJPNNTNON-UXHICEINSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000518348362 1008271440 /nfs/dbraw/zinc/27/14/40/1008271440.db2.gz XQFNJGVZQYMFQM-NRFANRHFSA-N 2 2 403.929 3.863 20 0 HHADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000540150910 1008312794 /nfs/dbraw/zinc/31/27/94/1008312794.db2.gz ICBGRPLSZHKQBP-PGRDOPGGSA-N 2 2 412.559 3.500 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc2ccccc21 ZINC000540180930 1008325420 /nfs/dbraw/zinc/32/54/20/1008325420.db2.gz JZDONRBMMZVBTI-PZJWPPBQSA-N 2 2 417.557 3.786 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241246 1008349367 /nfs/dbraw/zinc/34/93/67/1008349367.db2.gz RJRFNTKJHOPRCU-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241246 1008349368 /nfs/dbraw/zinc/34/93/68/1008349368.db2.gz RJRFNTKJHOPRCU-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241246 1008349370 /nfs/dbraw/zinc/34/93/70/1008349370.db2.gz RJRFNTKJHOPRCU-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540241246 1008349372 /nfs/dbraw/zinc/34/93/72/1008349372.db2.gz RJRFNTKJHOPRCU-XPGWFJOJSA-N 2 2 410.965 3.644 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@@H](C)O1 ZINC000540245777 1008351039 /nfs/dbraw/zinc/35/10/39/1008351039.db2.gz XWVNAIDWTCHQAR-IAGOWNOFSA-N 2 2 422.520 3.522 20 0 HHADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248795 1008352559 /nfs/dbraw/zinc/35/25/59/1008352559.db2.gz UJDUFJLVNRYPCN-HSALFYBXSA-N 2 2 413.562 3.993 20 0 HHADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248795 1008352562 /nfs/dbraw/zinc/35/25/62/1008352562.db2.gz UJDUFJLVNRYPCN-HSALFYBXSA-N 2 2 413.562 3.993 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540308380 1008374673 /nfs/dbraw/zinc/37/46/73/1008374673.db2.gz MUMYVHIMTVHPSK-OFAXGOBFSA-N 2 2 415.626 3.684 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540308380 1008374677 /nfs/dbraw/zinc/37/46/77/1008374677.db2.gz MUMYVHIMTVHPSK-OFAXGOBFSA-N 2 2 415.626 3.684 20 0 HHADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000540325889 1008380872 /nfs/dbraw/zinc/38/08/72/1008380872.db2.gz IRTBKKJHPFQETJ-LJQANCHMSA-N 2 2 411.546 3.595 20 0 HHADLP CC(C)(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000540426585 1008428731 /nfs/dbraw/zinc/42/87/31/1008428731.db2.gz XVUYMQWIMDQCCK-QFIPXVFZSA-N 2 2 416.516 3.776 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000518816830 1008430793 /nfs/dbraw/zinc/43/07/93/1008430793.db2.gz SXFQDOCFBJXDHG-NRFANRHFSA-N 2 2 420.479 3.845 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000518816830 1008430800 /nfs/dbraw/zinc/43/08/00/1008430800.db2.gz SXFQDOCFBJXDHG-NRFANRHFSA-N 2 2 420.479 3.845 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000540550883 1008477515 /nfs/dbraw/zinc/47/75/15/1008477515.db2.gz PUJQNUOUSADIBA-HSZRJFAPSA-N 2 2 414.619 3.709 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000540550883 1008477518 /nfs/dbraw/zinc/47/75/18/1008477518.db2.gz PUJQNUOUSADIBA-HSZRJFAPSA-N 2 2 414.619 3.709 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(Cn3cc[nH+]c3)cc1)c1ccccc1O2 ZINC000518964871 1008489246 /nfs/dbraw/zinc/48/92/46/1008489246.db2.gz KDJXGIVPWNADKY-QFIPXVFZSA-N 2 2 416.525 3.649 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000519033683 1008506662 /nfs/dbraw/zinc/50/66/62/1008506662.db2.gz YRNRSPJWJYEALJ-VWLOTQADSA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000519033683 1008506665 /nfs/dbraw/zinc/50/66/65/1008506665.db2.gz YRNRSPJWJYEALJ-VWLOTQADSA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519033683 1008506668 /nfs/dbraw/zinc/50/66/68/1008506668.db2.gz YRNRSPJWJYEALJ-VWLOTQADSA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000519033683 1008506671 /nfs/dbraw/zinc/50/66/71/1008506671.db2.gz YRNRSPJWJYEALJ-VWLOTQADSA-N 2 2 401.558 3.982 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441335 1008554058 /nfs/dbraw/zinc/55/40/58/1008554058.db2.gz YBWVKBYAAVPDIU-NOZRDPDXSA-N 2 2 414.553 3.788 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441335 1008554072 /nfs/dbraw/zinc/55/40/72/1008554072.db2.gz YBWVKBYAAVPDIU-NOZRDPDXSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441335 1008554083 /nfs/dbraw/zinc/55/40/83/1008554083.db2.gz YBWVKBYAAVPDIU-NOZRDPDXSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2C1 ZINC000545441335 1008554095 /nfs/dbraw/zinc/55/40/95/1008554095.db2.gz YBWVKBYAAVPDIU-NOZRDPDXSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000542982628 1008559350 /nfs/dbraw/zinc/55/93/50/1008559350.db2.gz SNPCWWIGQUUEPY-UHFFFAOYSA-N 2 2 411.594 3.975 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000549037327 1008605430 /nfs/dbraw/zinc/60/54/30/1008605430.db2.gz MMOJAMIEUQTMFE-HXUWFJFHSA-N 2 2 407.558 3.810 20 0 HHADLP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164015 1008735092 /nfs/dbraw/zinc/73/50/92/1008735092.db2.gz CHUJWZBXTJHENG-DEOSSOPVSA-N 2 2 423.601 3.982 20 0 HHADLP CCCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549164015 1008735103 /nfs/dbraw/zinc/73/51/03/1008735103.db2.gz CHUJWZBXTJHENG-DEOSSOPVSA-N 2 2 423.601 3.982 20 0 HHADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164529 1008735751 /nfs/dbraw/zinc/73/57/51/1008735751.db2.gz HGGZURXRILWNEA-QFIPXVFZSA-N 2 2 423.557 3.692 20 0 HHADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164529 1008735754 /nfs/dbraw/zinc/73/57/54/1008735754.db2.gz HGGZURXRILWNEA-QFIPXVFZSA-N 2 2 423.557 3.692 20 0 HHADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000543247222 1008815984 /nfs/dbraw/zinc/81/59/84/1008815984.db2.gz MVCMXJADPUHHDK-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC000549252344 1008823395 /nfs/dbraw/zinc/82/33/95/1008823395.db2.gz GIXSDFSPEWSRDK-UHFFFAOYSA-N 2 2 403.574 3.697 20 0 HHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000519561225 1008906122 /nfs/dbraw/zinc/90/61/22/1008906122.db2.gz TUIOOKVOZQCSKE-VJLQJJJYSA-N 2 2 409.496 3.782 20 0 HHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000519561225 1008906135 /nfs/dbraw/zinc/90/61/35/1008906135.db2.gz TUIOOKVOZQCSKE-VJLQJJJYSA-N 2 2 409.496 3.782 20 0 HHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868633 1008956843 /nfs/dbraw/zinc/95/68/43/1008956843.db2.gz VWGVRNVZTWPGQQ-UXHICEINSA-N 2 2 407.327 3.528 20 0 HHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868633 1008956859 /nfs/dbraw/zinc/95/68/59/1008956859.db2.gz VWGVRNVZTWPGQQ-UXHICEINSA-N 2 2 407.327 3.528 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000545913222 1008993220 /nfs/dbraw/zinc/99/32/20/1008993220.db2.gz SDHGKNDOPBVHPP-UHFFFAOYSA-N 2 2 401.482 3.520 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546125849 1009149120 /nfs/dbraw/zinc/14/91/20/1009149120.db2.gz YNYFFZHFSYNATN-ICSRJNTNSA-N 2 2 404.917 3.894 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546125849 1009149127 /nfs/dbraw/zinc/14/91/27/1009149127.db2.gz YNYFFZHFSYNATN-ICSRJNTNSA-N 2 2 404.917 3.894 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccco1 ZINC000543550118 1009152672 /nfs/dbraw/zinc/15/26/72/1009152672.db2.gz HKMWHYUOQRALLV-FQEVSTJZSA-N 2 2 407.518 3.803 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000520128105 1009281640 /nfs/dbraw/zinc/28/16/40/1009281640.db2.gz VLGBGPSAPPHBMJ-MRXNPFEDSA-N 2 2 424.376 3.886 20 0 HHADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1 ZINC000520312531 1009438900 /nfs/dbraw/zinc/43/89/00/1009438900.db2.gz BKZFPLIXENVNTL-INIZCTEOSA-N 2 2 403.979 3.664 20 0 HHADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1 ZINC000520312531 1009438909 /nfs/dbraw/zinc/43/89/09/1009438909.db2.gz BKZFPLIXENVNTL-INIZCTEOSA-N 2 2 403.979 3.664 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881420 1009456176 /nfs/dbraw/zinc/45/61/76/1009456176.db2.gz JEZBWWIUWPOXBC-JJXUHFIVSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881420 1009456188 /nfs/dbraw/zinc/45/61/88/1009456188.db2.gz JEZBWWIUWPOXBC-JJXUHFIVSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881420 1009456195 /nfs/dbraw/zinc/45/61/95/1009456195.db2.gz JEZBWWIUWPOXBC-JJXUHFIVSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543881420 1009456204 /nfs/dbraw/zinc/45/62/04/1009456204.db2.gz JEZBWWIUWPOXBC-JJXUHFIVSA-N 2 2 424.511 3.555 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[C@H](C)C1 ZINC000543944957 1009538969 /nfs/dbraw/zinc/53/89/69/1009538969.db2.gz WPBVQOCNWOXTEM-UMXIMWEHSA-N 2 2 401.639 3.842 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000543944955 1009539064 /nfs/dbraw/zinc/53/90/64/1009539064.db2.gz WPBVQOCNWOXTEM-NMVJMZGASA-N 2 2 401.639 3.842 20 0 HHADLP NC(=O)c1ccc(-c2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cs2)cc1 ZINC000543993665 1009593469 /nfs/dbraw/zinc/59/34/69/1009593469.db2.gz YEKZIIAESCYSBK-UHFFFAOYSA-N 2 2 409.559 3.798 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000546619131 1009632019 /nfs/dbraw/zinc/63/20/19/1009632019.db2.gz IJLMDCGNTIESMK-NHCUHLMSSA-N 3 2 415.622 3.672 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036019 1009636622 /nfs/dbraw/zinc/63/66/22/1009636622.db2.gz GKZJXXSRDYXCPW-FCHUYYIVSA-N 2 2 419.635 3.583 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036019 1009636629 /nfs/dbraw/zinc/63/66/29/1009636629.db2.gz GKZJXXSRDYXCPW-FCHUYYIVSA-N 2 2 419.635 3.583 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000520571333 1009652061 /nfs/dbraw/zinc/65/20/61/1009652061.db2.gz NWBFAWOSKRFSFM-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000520571333 1009652069 /nfs/dbraw/zinc/65/20/69/1009652069.db2.gz NWBFAWOSKRFSFM-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000520571333 1009652077 /nfs/dbraw/zinc/65/20/77/1009652077.db2.gz NWBFAWOSKRFSFM-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000520571333 1009652082 /nfs/dbraw/zinc/65/20/82/1009652082.db2.gz NWBFAWOSKRFSFM-VWLOTQADSA-N 2 2 420.601 3.817 20 0 HHADLP O=C(NCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cc1 ZINC000544171517 1009776484 /nfs/dbraw/zinc/77/64/84/1009776484.db2.gz ITJMHCWIWHHPNX-UHFFFAOYSA-N 2 2 419.348 3.606 20 0 HHADLP O=C(NCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC000544171373 1009776906 /nfs/dbraw/zinc/77/69/06/1009776906.db2.gz HBJFEHXNRPREKM-UHFFFAOYSA-N 2 2 419.348 3.606 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546907377 1009865842 /nfs/dbraw/zinc/86/58/42/1009865842.db2.gz NFYQYGZCHXEXDT-KBAYOESNSA-N 2 2 406.537 3.696 20 0 HHADLP CC[C@H](CC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546907377 1009865849 /nfs/dbraw/zinc/86/58/49/1009865849.db2.gz NFYQYGZCHXEXDT-KBAYOESNSA-N 2 2 406.537 3.696 20 0 HHADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc2cccnc12 ZINC000544349361 1009975685 /nfs/dbraw/zinc/97/56/85/1009975685.db2.gz SJWLKRZSISDJLN-JOCHJYFZSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc2cccnc12 ZINC000544349361 1009975692 /nfs/dbraw/zinc/97/56/92/1009975692.db2.gz SJWLKRZSISDJLN-JOCHJYFZSA-N 2 2 415.585 3.972 20 0 HHADLP CC(C)n1cc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000544468227 1010092322 /nfs/dbraw/zinc/09/23/22/1010092322.db2.gz JKKHPBQPCPOSNW-DYESRHJHSA-N 2 2 417.985 3.721 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2)cc[nH+]1 ZINC000544589917 1010216369 /nfs/dbraw/zinc/21/63/69/1010216369.db2.gz FAECTLOVWWWSNG-UHFFFAOYSA-N 2 2 415.541 3.745 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)cc[nH+]1 ZINC000544589917 1010216377 /nfs/dbraw/zinc/21/63/77/1010216377.db2.gz FAECTLOVWWWSNG-UHFFFAOYSA-N 2 2 415.541 3.745 20 0 HHADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000547284794 1010229630 /nfs/dbraw/zinc/22/96/30/1010229630.db2.gz LMAQRUIGPFSWMK-RUZDIDTESA-N 2 2 416.525 3.501 20 0 HHADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000547284794 1010229651 /nfs/dbraw/zinc/22/96/51/1010229651.db2.gz LMAQRUIGPFSWMK-RUZDIDTESA-N 2 2 416.525 3.501 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000548169454 1010550290 /nfs/dbraw/zinc/55/02/90/1010550290.db2.gz AEZGJUYKXZDDOE-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000548169454 1010550299 /nfs/dbraw/zinc/55/02/99/1010550299.db2.gz AEZGJUYKXZDDOE-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP c1[nH+]c([C@@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448176 1010591952 /nfs/dbraw/zinc/59/19/52/1010591952.db2.gz LSCUJMYIMFWMTR-VWNXMTODSA-N 2 2 408.590 3.690 20 0 HHADLP c1[nH+]c([C@@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448176 1010591961 /nfs/dbraw/zinc/59/19/61/1010591961.db2.gz LSCUJMYIMFWMTR-VWNXMTODSA-N 2 2 408.590 3.690 20 0 HHADLP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@@H+](C)C(C)C)CC3)nc[nH+]2)CC1 ZINC000548445495 1010630147 /nfs/dbraw/zinc/63/01/47/1010630147.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 3 2 416.658 3.590 20 0 HHADLP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@H+](C)C(C)C)CC3)nc[nH+]2)CC1 ZINC000548445495 1010630150 /nfs/dbraw/zinc/63/01/50/1010630150.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 3 2 416.658 3.590 20 0 HHADLP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@H+](C)C(C)C)CC3)[nH+]cn2)CC1 ZINC000548445495 1010630154 /nfs/dbraw/zinc/63/01/54/1010630154.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 3 2 416.658 3.590 20 0 HHADLP CC(C)[NH+](C)CC1CCN(c2cc(N3CCC(C[N@@H+](C)C(C)C)CC3)[nH+]cn2)CC1 ZINC000548445495 1010630157 /nfs/dbraw/zinc/63/01/57/1010630157.db2.gz RGEYFSCAKYUDRE-UHFFFAOYSA-N 3 2 416.658 3.590 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483053 1010641868 /nfs/dbraw/zinc/64/18/68/1010641868.db2.gz QWSHSUZUJOENSG-IFMALSPDSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483053 1010641872 /nfs/dbraw/zinc/64/18/72/1010641872.db2.gz QWSHSUZUJOENSG-IFMALSPDSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000551539735 1010647027 /nfs/dbraw/zinc/64/70/27/1010647027.db2.gz LOYDURNTLCVSII-BMGDILEWSA-N 2 2 408.468 3.958 20 0 HHADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000551539735 1010647034 /nfs/dbraw/zinc/64/70/34/1010647034.db2.gz LOYDURNTLCVSII-BMGDILEWSA-N 2 2 408.468 3.958 20 0 HHADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704343 1010749412 /nfs/dbraw/zinc/74/94/12/1010749412.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 3 2 422.617 3.911 20 0 HHADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704343 1010749423 /nfs/dbraw/zinc/74/94/23/1010749423.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 3 2 422.617 3.911 20 0 HHADLP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704343 1010749431 /nfs/dbraw/zinc/74/94/31/1010749431.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 3 2 422.617 3.911 20 0 HHADLP C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704343 1010749437 /nfs/dbraw/zinc/74/94/37/1010749437.db2.gz RPVORUJNNUVVGV-SANMLTNESA-N 3 2 422.617 3.911 20 0 HHADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000545398022 1010772397 /nfs/dbraw/zinc/77/23/97/1010772397.db2.gz SYUBWPPPQUSBFL-OAQYLSRUSA-N 2 2 414.981 3.821 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000522399510 1010981810 /nfs/dbraw/zinc/98/18/10/1010981810.db2.gz PQMVVVDVWMRUAD-QHCPKHFHSA-N 2 2 405.546 3.625 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)CC1 ZINC000522692837 1011161498 /nfs/dbraw/zinc/16/14/98/1011161498.db2.gz QIZRXKUBPKYFSB-DEOSSOPVSA-N 2 2 424.564 3.773 20 0 HHADLP C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000536212369 1011359435 /nfs/dbraw/zinc/35/94/35/1011359435.db2.gz AUOJHJAQHSSJJY-HNNXBMFYSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536212369 1011359441 /nfs/dbraw/zinc/35/94/41/1011359441.db2.gz AUOJHJAQHSSJJY-HNNXBMFYSA-N 2 2 415.409 3.592 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)[nH+]c12 ZINC000536476809 1011692638 /nfs/dbraw/zinc/69/26/38/1011692638.db2.gz LWABTQGUPGBRLA-UHFFFAOYSA-N 2 2 402.542 3.700 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)[nH+]c12 ZINC000536476809 1011692654 /nfs/dbraw/zinc/69/26/54/1011692654.db2.gz LWABTQGUPGBRLA-UHFFFAOYSA-N 2 2 402.542 3.700 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337885 1011813334 /nfs/dbraw/zinc/81/33/34/1011813334.db2.gz VGNAGZHMIQWLFJ-PKOBYXMFSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337885 1011813350 /nfs/dbraw/zinc/81/33/50/1011813350.db2.gz VGNAGZHMIQWLFJ-PKOBYXMFSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337885 1011813359 /nfs/dbraw/zinc/81/33/59/1011813359.db2.gz VGNAGZHMIQWLFJ-PKOBYXMFSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337885 1011813375 /nfs/dbraw/zinc/81/33/75/1011813375.db2.gz VGNAGZHMIQWLFJ-PKOBYXMFSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664894 1011815922 /nfs/dbraw/zinc/81/59/22/1011815922.db2.gz VRXNAJOCMQBSJI-FOIQADDNSA-N 2 2 410.389 3.727 20 0 HHADLP C[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536664894 1011815936 /nfs/dbraw/zinc/81/59/36/1011815936.db2.gz VRXNAJOCMQBSJI-FOIQADDNSA-N 2 2 410.389 3.727 20 0 HHADLP C[NH+](C)CCOC1CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000536676281 1011836468 /nfs/dbraw/zinc/83/64/68/1011836468.db2.gz KGQTZMZUSFCBRD-UHFFFAOYSA-N 2 2 409.983 3.918 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC000541180299 1011852438 /nfs/dbraw/zinc/85/24/38/1011852438.db2.gz MNGAMVXZOZORHH-OAQYLSRUSA-N 2 2 401.530 3.527 20 0 HHADLP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541194751 1011865056 /nfs/dbraw/zinc/86/50/56/1011865056.db2.gz IOWFVSGIJFWPCL-VGOFRKELSA-N 2 2 414.981 3.901 20 0 HHADLP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541194749 1011865790 /nfs/dbraw/zinc/86/57/90/1011865790.db2.gz IOWFVSGIJFWPCL-HTAPYJJXSA-N 2 2 414.981 3.901 20 0 HHADLP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541194753 1011865876 /nfs/dbraw/zinc/86/58/76/1011865876.db2.gz IOWFVSGIJFWPCL-VGSWGCGISA-N 2 2 414.981 3.901 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251244 1011933152 /nfs/dbraw/zinc/93/31/52/1011933152.db2.gz KVIKEDJHZYSRJN-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251244 1011933182 /nfs/dbraw/zinc/93/31/82/1011933182.db2.gz KVIKEDJHZYSRJN-NHCUHLMSSA-N 2 2 409.977 3.817 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc2c(s1)CCCC2 ZINC000536778296 1011986643 /nfs/dbraw/zinc/98/66/43/1011986643.db2.gz YEWXQVBLAFVUGO-QGZVFWFLSA-N 2 2 401.576 3.584 20 0 HHADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000536852834 1012083764 /nfs/dbraw/zinc/08/37/64/1012083764.db2.gz OQMBEZQMBXWKLA-LADGPHEKSA-N 2 2 413.512 3.533 20 0 HHADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536853131 1012084611 /nfs/dbraw/zinc/08/46/11/1012084611.db2.gz OQMBEZQMBXWKLA-VWNXMTODSA-N 2 2 413.512 3.533 20 0 HHADLP Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000541389142 1012112364 /nfs/dbraw/zinc/11/23/64/1012112364.db2.gz NWPSXGJAOPIQAX-QFIPXVFZSA-N 2 2 407.558 3.564 20 0 HHADLP Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000541389142 1012112391 /nfs/dbraw/zinc/11/23/91/1012112391.db2.gz NWPSXGJAOPIQAX-QFIPXVFZSA-N 2 2 407.558 3.564 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000541394613 1012118589 /nfs/dbraw/zinc/11/85/89/1012118589.db2.gz XJKGWMYZPRHZDM-KRWDZBQOSA-N 2 2 422.432 3.728 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409176 1012148346 /nfs/dbraw/zinc/14/83/46/1012148346.db2.gz YCRGTPADFQANLJ-FCHUYYIVSA-N 2 2 406.574 3.884 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541409176 1012148352 /nfs/dbraw/zinc/14/83/52/1012148352.db2.gz YCRGTPADFQANLJ-FCHUYYIVSA-N 2 2 406.574 3.884 20 0 HHADLP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000536911957 1012180527 /nfs/dbraw/zinc/18/05/27/1012180527.db2.gz YWLQIBYKNRHJEG-LJQANCHMSA-N 2 2 410.562 3.696 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000541534751 1012318442 /nfs/dbraw/zinc/31/84/42/1012318442.db2.gz WBRIVSWVVKQNEY-UHFFFAOYSA-N 2 2 401.436 3.917 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000552335538 1012346533 /nfs/dbraw/zinc/34/65/33/1012346533.db2.gz VSBONYSHMGWLLH-XVLXNVKGSA-N 2 2 408.384 3.573 20 0 HHADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000552335538 1012346545 /nfs/dbraw/zinc/34/65/45/1012346545.db2.gz VSBONYSHMGWLLH-XVLXNVKGSA-N 2 2 408.384 3.573 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000552338222 1012350334 /nfs/dbraw/zinc/35/03/34/1012350334.db2.gz BMLUFFDPRPMQHR-NXHRZFHOSA-N 2 2 408.384 3.634 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000552338222 1012350352 /nfs/dbraw/zinc/35/03/52/1012350352.db2.gz BMLUFFDPRPMQHR-NXHRZFHOSA-N 2 2 408.384 3.634 20 0 HHADLP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552339664 1012350966 /nfs/dbraw/zinc/35/09/66/1012350966.db2.gz CUDIJASBCRAHJX-HLVPAZFXSA-N 2 2 413.606 3.636 20 0 HHADLP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552339664 1012350984 /nfs/dbraw/zinc/35/09/84/1012350984.db2.gz CUDIJASBCRAHJX-HLVPAZFXSA-N 2 2 413.606 3.636 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(N[C@H](C[NH+]3CCOCC3)c3ccccc3C)cc2)CC1 ZINC000541566068 1012355625 /nfs/dbraw/zinc/35/56/25/1012355625.db2.gz OREFSLLKYNJHQC-AREMUKBSSA-N 2 2 422.617 3.618 20 0 HHADLP Cc1cnc([C@@H]([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C2CC2)s1 ZINC000541602744 1012400252 /nfs/dbraw/zinc/40/02/52/1012400252.db2.gz UMPMIHHYTBBXPO-FQEVSTJZSA-N 2 2 416.616 3.680 20 0 HHADLP COc1cccc([C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000523782584 1012432116 /nfs/dbraw/zinc/43/21/16/1012432116.db2.gz ZOTCXYNQDWIPKK-QHCPKHFHSA-N 2 2 419.529 3.517 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1)C[C@@H]1CCCCO1 ZINC000537118735 1012497153 /nfs/dbraw/zinc/49/71/53/1012497153.db2.gz AHYUCPYBHMZPMK-OFNKIYASSA-N 2 2 410.562 3.864 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1)C[C@@H]1CCCCO1 ZINC000537118735 1012497166 /nfs/dbraw/zinc/49/71/66/1012497166.db2.gz AHYUCPYBHMZPMK-OFNKIYASSA-N 2 2 410.562 3.864 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1)C[C@H]1CCCCO1 ZINC000537118734 1012497672 /nfs/dbraw/zinc/49/76/72/1012497672.db2.gz AHYUCPYBHMZPMK-NZQKXSOJSA-N 2 2 410.562 3.864 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1)C[C@H]1CCCCO1 ZINC000537118734 1012497682 /nfs/dbraw/zinc/49/76/82/1012497682.db2.gz AHYUCPYBHMZPMK-NZQKXSOJSA-N 2 2 410.562 3.864 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(F)c1F ZINC000537129638 1012514638 /nfs/dbraw/zinc/51/46/38/1012514638.db2.gz BIVUJUPQBYBXQV-HNNXBMFYSA-N 2 2 405.514 3.803 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552520073 1012539243 /nfs/dbraw/zinc/53/92/43/1012539243.db2.gz GTLDRDUWHSXVPB-FQEVSTJZSA-N 2 2 418.532 3.842 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552520073 1012539251 /nfs/dbraw/zinc/53/92/51/1012539251.db2.gz GTLDRDUWHSXVPB-FQEVSTJZSA-N 2 2 418.532 3.842 20 0 HHADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)o1 ZINC000541693329 1012539210 /nfs/dbraw/zinc/53/92/10/1012539210.db2.gz NFUNSDIFLLDHOV-UHFFFAOYSA-N 2 2 407.518 3.503 20 0 HHADLP COc1cccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)c1 ZINC000552818831 1012828223 /nfs/dbraw/zinc/82/82/23/1012828223.db2.gz GTNLLLFYFNCTKD-PKTZIBPZSA-N 2 2 418.541 3.894 20 0 HHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000537456738 1012952221 /nfs/dbraw/zinc/95/22/21/1012952221.db2.gz XCRJGPIRUIRLQB-DYESRHJHSA-N 2 2 405.550 3.593 20 0 HHADLP CCN1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542064672 1012985532 /nfs/dbraw/zinc/98/55/32/1012985532.db2.gz VVMHYTMFBWIDRK-DENIHFKCSA-N 2 2 404.480 3.893 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006047 1072543850 /nfs/dbraw/zinc/54/38/50/1072543850.db2.gz YESLSPGMQYDNGO-ROUUACIJSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006047 1072543862 /nfs/dbraw/zinc/54/38/62/1072543862.db2.gz YESLSPGMQYDNGO-ROUUACIJSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006047 1072543872 /nfs/dbraw/zinc/54/38/72/1072543872.db2.gz YESLSPGMQYDNGO-ROUUACIJSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006047 1072543878 /nfs/dbraw/zinc/54/38/78/1072543878.db2.gz YESLSPGMQYDNGO-ROUUACIJSA-N 2 2 403.567 3.654 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1OCCCO ZINC000571135251 1072574609 /nfs/dbraw/zinc/57/46/09/1072574609.db2.gz DUZLTAONZFYPBN-OAHLLOKOSA-N 2 2 411.384 3.735 20 0 HHADLP CN1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000571484914 1072634122 /nfs/dbraw/zinc/63/41/22/1072634122.db2.gz GYDJJIMWDZIJSZ-BJKOFHAPSA-N 2 2 414.544 3.512 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)C1 ZINC000479422026 1072821544 /nfs/dbraw/zinc/82/15/44/1072821544.db2.gz OFZWQAQOLHXSTP-UNMCSNQZSA-N 2 2 402.546 3.897 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852180 1072901542 /nfs/dbraw/zinc/90/15/42/1072901542.db2.gz UDJUPOBWKLXZFC-AZUAARDMSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852180 1072901559 /nfs/dbraw/zinc/90/15/59/1072901559.db2.gz UDJUPOBWKLXZFC-AZUAARDMSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852180 1072901568 /nfs/dbraw/zinc/90/15/68/1072901568.db2.gz UDJUPOBWKLXZFC-AZUAARDMSA-N 2 2 417.594 3.996 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)C2)s1 ZINC000554852180 1072901577 /nfs/dbraw/zinc/90/15/77/1072901577.db2.gz UDJUPOBWKLXZFC-AZUAARDMSA-N 2 2 417.594 3.996 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000555014360 1073067289 /nfs/dbraw/zinc/06/72/89/1073067289.db2.gz FQIIFBNCPBDTLG-UHFFFAOYSA-N 2 2 421.585 3.681 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000572157603 1073191730 /nfs/dbraw/zinc/19/17/30/1073191730.db2.gz CLMTVGYCJRGZBG-IBGZPJMESA-N 2 2 422.552 3.708 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000555377565 1073387109 /nfs/dbraw/zinc/38/71/09/1073387109.db2.gz QRLBAZKHLCSZOK-ZYKOEDHHSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377565 1073387092 /nfs/dbraw/zinc/38/70/92/1073387092.db2.gz QRLBAZKHLCSZOK-ZYKOEDHHSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377565 1073387097 /nfs/dbraw/zinc/38/70/97/1073387097.db2.gz QRLBAZKHLCSZOK-ZYKOEDHHSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000555377565 1073387102 /nfs/dbraw/zinc/38/71/02/1073387102.db2.gz QRLBAZKHLCSZOK-ZYKOEDHHSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852550 1074018086 /nfs/dbraw/zinc/01/80/86/1074018086.db2.gz GFMJLHPWENDKFE-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](C)CC2 ZINC000591093587 1074107727 /nfs/dbraw/zinc/10/77/27/1074107727.db2.gz DMMPPMKDSCTYOM-MRXNPFEDSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](C)CC2 ZINC000591093587 1074107732 /nfs/dbraw/zinc/10/77/32/1074107732.db2.gz DMMPPMKDSCTYOM-MRXNPFEDSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000591093587 1074107734 /nfs/dbraw/zinc/10/77/34/1074107734.db2.gz DMMPPMKDSCTYOM-MRXNPFEDSA-N 2 2 414.575 3.637 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000591093587 1074107738 /nfs/dbraw/zinc/10/77/38/1074107738.db2.gz DMMPPMKDSCTYOM-MRXNPFEDSA-N 2 2 414.575 3.637 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000591520798 1074361448 /nfs/dbraw/zinc/36/14/48/1074361448.db2.gz BGXQWRDTCBMHOE-CVDCTZTESA-N 2 2 410.562 3.813 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591524037 1074365113 /nfs/dbraw/zinc/36/51/13/1074365113.db2.gz QXZCNRMHMIDDSQ-OXQOHEQNSA-N 2 2 402.564 3.566 20 0 HHADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000591524573 1074367414 /nfs/dbraw/zinc/36/74/14/1074367414.db2.gz YCKYQFPVDQFEPP-HXUWFJFHSA-N 2 2 404.599 3.912 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000761123390 1075498809 /nfs/dbraw/zinc/49/88/09/1075498809.db2.gz LPAWSVAYAYFVHO-FQEVSTJZSA-N 2 2 408.590 3.657 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000761123393 1075499325 /nfs/dbraw/zinc/49/93/25/1075499325.db2.gz LPAWSVAYAYFVHO-HXUWFJFHSA-N 2 2 408.590 3.657 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC000601477081 1075619710 /nfs/dbraw/zinc/61/97/10/1075619710.db2.gz PTCLHASOHYKZEI-DEOSSOPVSA-N 2 2 421.585 3.815 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC000601477081 1075619712 /nfs/dbraw/zinc/61/97/12/1075619712.db2.gz PTCLHASOHYKZEI-DEOSSOPVSA-N 2 2 421.585 3.815 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476587 1075619950 /nfs/dbraw/zinc/61/99/50/1075619950.db2.gz GGHYSEBBYQKQKF-PZJWPPBQSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476587 1075619952 /nfs/dbraw/zinc/61/99/52/1075619952.db2.gz GGHYSEBBYQKQKF-PZJWPPBQSA-N 2 2 401.595 3.513 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Br)cc4ccccc43)C2)CC1 ZINC000602203796 1075712908 /nfs/dbraw/zinc/71/29/08/1075712908.db2.gz HZHXSHXBAHLQCN-QGZVFWFLSA-N 2 2 416.363 3.501 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Br)cc4ccccc43)C2)CC1 ZINC000602203796 1075712910 /nfs/dbraw/zinc/71/29/10/1075712910.db2.gz HZHXSHXBAHLQCN-QGZVFWFLSA-N 2 2 416.363 3.501 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2)CC1 ZINC000602195443 1075716385 /nfs/dbraw/zinc/71/63/85/1075716385.db2.gz MOJGTQYYPYEVIX-FQEVSTJZSA-N 2 2 403.998 3.827 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2)CC1 ZINC000602195443 1075716391 /nfs/dbraw/zinc/71/63/91/1075716391.db2.gz MOJGTQYYPYEVIX-FQEVSTJZSA-N 2 2 403.998 3.827 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164658932 719352363 /nfs/dbraw/zinc/35/23/63/719352363.db2.gz MBQXRWMPMIAVND-UHFFFAOYSA-N 2 2 402.546 3.667 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164658932 719352367 /nfs/dbraw/zinc/35/23/67/719352367.db2.gz MBQXRWMPMIAVND-UHFFFAOYSA-N 2 2 402.546 3.667 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1NCC1CC1 ZINC001164699801 719886366 /nfs/dbraw/zinc/88/63/66/719886366.db2.gz IUCKKELNPJJTKU-UHFFFAOYSA-N 2 2 413.591 3.540 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1NCC1CC1 ZINC001164699801 719886367 /nfs/dbraw/zinc/88/63/67/719886367.db2.gz IUCKKELNPJJTKU-UHFFFAOYSA-N 2 2 413.591 3.540 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001164827776 720309939 /nfs/dbraw/zinc/30/99/39/720309939.db2.gz XXKSGNRJZNUZFN-RTWAWAEBSA-N 2 2 412.965 3.800 20 0 HHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC[C@@H]21 ZINC001164844196 720637596 /nfs/dbraw/zinc/63/75/96/720637596.db2.gz ZUWLIJILPRNQIS-FGSXEWAUSA-N 2 2 404.562 3.626 20 0 HHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC[C@@H]21 ZINC001164844196 720637607 /nfs/dbraw/zinc/63/76/07/720637607.db2.gz ZUWLIJILPRNQIS-FGSXEWAUSA-N 2 2 404.562 3.626 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739820 720829455 /nfs/dbraw/zinc/82/94/55/720829455.db2.gz IWTOWKQCYLSKDU-TXTKFYIRSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739820 720829456 /nfs/dbraw/zinc/82/94/56/720829456.db2.gz IWTOWKQCYLSKDU-TXTKFYIRSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739821 720829748 /nfs/dbraw/zinc/82/97/48/720829748.db2.gz IWTOWKQCYLSKDU-ZRCGQRJVSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739821 720829749 /nfs/dbraw/zinc/82/97/49/720829749.db2.gz IWTOWKQCYLSKDU-ZRCGQRJVSA-N 2 2 402.546 3.514 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758203 720888242 /nfs/dbraw/zinc/88/82/42/720888242.db2.gz XRJVXKTZNGJZBD-DHLKQENFSA-N 2 2 422.573 3.549 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758203 720888245 /nfs/dbraw/zinc/88/82/45/720888245.db2.gz XRJVXKTZNGJZBD-DHLKQENFSA-N 2 2 422.573 3.549 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164758613 720981783 /nfs/dbraw/zinc/98/17/83/720981783.db2.gz WRUOUHIPTULDOP-OFNKIYASSA-N 2 2 409.578 3.888 20 0 HHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164758613 720981797 /nfs/dbraw/zinc/98/17/97/720981797.db2.gz WRUOUHIPTULDOP-OFNKIYASSA-N 2 2 409.578 3.888 20 0 HHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cc(C(F)(F)F)nc4ncnn43)cc2)CC1 ZINC000301360872 970885886 /nfs/dbraw/zinc/88/58/86/970885886.db2.gz MGRUCEMRCDCYOV-UHFFFAOYSA-N 2 2 419.455 3.665 20 0 HHADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000302041097 971159239 /nfs/dbraw/zinc/15/92/39/971159239.db2.gz NPXZYIUMJYQZHY-QGZVFWFLSA-N 2 2 409.534 3.908 20 0 HHADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000302041097 971159245 /nfs/dbraw/zinc/15/92/45/971159245.db2.gz NPXZYIUMJYQZHY-QGZVFWFLSA-N 2 2 409.534 3.908 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000537547284 1013066296 /nfs/dbraw/zinc/06/62/96/1013066296.db2.gz YYAMHUCLBPFOCH-UHFFFAOYSA-N 2 2 411.509 3.926 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000303276680 971593329 /nfs/dbraw/zinc/59/33/29/971593329.db2.gz HRMLKORHNMNDPR-OAHLLOKOSA-N 2 2 412.405 3.847 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000303463000 971766446 /nfs/dbraw/zinc/76/64/46/971766446.db2.gz GFDIYKLQGAQJDS-UHFFFAOYSA-N 2 2 421.589 3.926 20 0 HHADLP CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303681015 971958976 /nfs/dbraw/zinc/95/89/76/971958976.db2.gz YXCSFKKGWGEGCV-UHFFFAOYSA-N 2 2 413.537 3.551 20 0 HHADLP CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303681015 971958980 /nfs/dbraw/zinc/95/89/80/971958980.db2.gz YXCSFKKGWGEGCV-UHFFFAOYSA-N 2 2 413.537 3.551 20 0 HHADLP CC[N@H+](Cc1cc(C(N)=O)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537626628 1013176161 /nfs/dbraw/zinc/17/61/61/1013176161.db2.gz ATFOLIYBKPKOSQ-UHFFFAOYSA-N 2 2 401.580 3.560 20 0 HHADLP CC[N@@H+](Cc1cc(C(N)=O)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537626628 1013176173 /nfs/dbraw/zinc/17/61/73/1013176173.db2.gz ATFOLIYBKPKOSQ-UHFFFAOYSA-N 2 2 401.580 3.560 20 0 HHADLP Cc1cc(C)cc([C@@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)c1 ZINC000542434605 1013385568 /nfs/dbraw/zinc/38/55/68/1013385568.db2.gz RGDHHRQYVOXSRA-JOCHJYFZSA-N 2 2 412.622 3.753 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465710 1013413433 /nfs/dbraw/zinc/41/34/33/1013413433.db2.gz KEELVYQGNVIRQA-HXUWFJFHSA-N 2 2 415.497 3.716 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000542465710 1013413441 /nfs/dbraw/zinc/41/34/41/1013413441.db2.gz KEELVYQGNVIRQA-HXUWFJFHSA-N 2 2 415.497 3.716 20 0 HHADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000553515321 1013414422 /nfs/dbraw/zinc/41/44/22/1013414422.db2.gz NJMMRGQJXUITQY-QFIPXVFZSA-N 2 2 421.029 3.937 20 0 HHADLP CN1CC[NH+](Cc2cccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000542502543 1013447034 /nfs/dbraw/zinc/44/70/34/1013447034.db2.gz LGMOUNUNXWGJMC-UHFFFAOYSA-N 2 2 420.601 3.675 20 0 HHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000023626469 963865043 /nfs/dbraw/zinc/86/50/43/963865043.db2.gz LTJOVZAKAOQDHO-KDURUIRLSA-N 2 2 411.546 3.536 20 0 HHADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000023626469 963865047 /nfs/dbraw/zinc/86/50/47/963865047.db2.gz LTJOVZAKAOQDHO-KDURUIRLSA-N 2 2 411.546 3.536 20 0 HHADLP c1csc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048745827 964049901 /nfs/dbraw/zinc/04/99/01/964049901.db2.gz AHGSLYOPONNWGH-UHFFFAOYSA-N 2 2 409.603 3.826 20 0 HHADLP Cc1cnc([C@H]([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C2CC2)s1 ZINC000542534656 1013480094 /nfs/dbraw/zinc/48/00/94/1013480094.db2.gz ZITXHECELNWREZ-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP Cc1cnc([C@H]([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C2CC2)s1 ZINC000542534656 1013480098 /nfs/dbraw/zinc/48/00/98/1013480098.db2.gz ZITXHECELNWREZ-JOCHJYFZSA-N 2 2 412.603 3.535 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1cccc(OC)c1 ZINC000051334865 964538036 /nfs/dbraw/zinc/53/80/36/964538036.db2.gz OMLWKZZIPNJFMD-OAQYLSRUSA-N 2 2 414.550 3.598 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c2)cc[nH+]1 ZINC000542568291 1013509077 /nfs/dbraw/zinc/50/90/77/1013509077.db2.gz FUXDSPGCFPMVCR-OAQYLSRUSA-N 2 2 407.493 3.569 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)CC1 ZINC000051759649 964689297 /nfs/dbraw/zinc/68/92/97/964689297.db2.gz DXSQNGZTWDADLM-UHFFFAOYSA-N 2 2 410.562 3.550 20 0 HHADLP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761108 964689699 /nfs/dbraw/zinc/68/96/99/964689699.db2.gz SIHRUTJKUPYCPM-RPWUZVMVSA-N 2 2 412.622 3.913 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC2)CC1 ZINC000051759896 964690167 /nfs/dbraw/zinc/69/01/67/964690167.db2.gz HICRIKQDAKDZJX-HSZRJFAPSA-N 2 2 416.585 3.915 20 0 HHADLP CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000053644188 965238652 /nfs/dbraw/zinc/23/86/52/965238652.db2.gz WARJDEOMLXWOMD-HSZRJFAPSA-N 2 2 413.537 3.973 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000537986970 1013561209 /nfs/dbraw/zinc/56/12/09/1013561209.db2.gz MTTWJPVDKMRGOM-FDDCHVKYSA-N 2 2 415.603 3.792 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000537986970 1013561219 /nfs/dbraw/zinc/56/12/19/1013561219.db2.gz MTTWJPVDKMRGOM-FDDCHVKYSA-N 2 2 415.603 3.792 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000057888657 965573167 /nfs/dbraw/zinc/57/31/67/965573167.db2.gz AHDPVNCPLBNMIK-UHFFFAOYSA-N 2 2 415.500 3.759 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054717938 965619391 /nfs/dbraw/zinc/61/93/91/965619391.db2.gz MYZLVGZIZADJOE-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054717938 965619393 /nfs/dbraw/zinc/61/93/93/965619393.db2.gz MYZLVGZIZADJOE-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000060628694 966236245 /nfs/dbraw/zinc/23/62/45/966236245.db2.gz FLAVCQRLCKAYCF-UHFFFAOYSA-N 2 2 423.483 3.646 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)CC(C)C ZINC000538070063 1013644502 /nfs/dbraw/zinc/64/45/02/1013644502.db2.gz BEHYIKLJVBVWQZ-UHFFFAOYSA-N 2 2 415.626 3.971 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)CC(C)C ZINC000538070063 1013644507 /nfs/dbraw/zinc/64/45/07/1013644507.db2.gz BEHYIKLJVBVWQZ-UHFFFAOYSA-N 2 2 415.626 3.971 20 0 HHADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061790136 966554388 /nfs/dbraw/zinc/55/43/88/966554388.db2.gz LCODTPIFJWDGME-UHFFFAOYSA-N 2 2 416.616 3.647 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1C ZINC000553877315 1013671799 /nfs/dbraw/zinc/67/17/99/1013671799.db2.gz TYBDCZLNDXXKTD-RUZDIDTESA-N 2 2 406.574 3.617 20 0 HHADLP S=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063172805 966766860 /nfs/dbraw/zinc/76/68/60/966766860.db2.gz DDFPAQPFPFDVDJ-UHFFFAOYSA-N 2 2 405.571 3.501 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063463582 966866155 /nfs/dbraw/zinc/86/61/55/966866155.db2.gz HQJGIGOSHYCLNE-XMMPIXPASA-N 2 2 417.557 3.785 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063463582 966866163 /nfs/dbraw/zinc/86/61/63/966866163.db2.gz HQJGIGOSHYCLNE-XMMPIXPASA-N 2 2 417.557 3.785 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000063619516 966905782 /nfs/dbraw/zinc/90/57/82/966905782.db2.gz AMURAIGGRGVXJB-DEOSSOPVSA-N 2 2 407.558 3.911 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000063619516 966905787 /nfs/dbraw/zinc/90/57/87/966905787.db2.gz AMURAIGGRGVXJB-DEOSSOPVSA-N 2 2 407.558 3.911 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000043230414 966932115 /nfs/dbraw/zinc/93/21/15/966932115.db2.gz RBYWJRXJGVVWIC-QHCPKHFHSA-N 2 2 405.546 3.814 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000044293498 967183575 /nfs/dbraw/zinc/18/35/75/967183575.db2.gz GMVFIKKNDGKCLU-UHFFFAOYSA-N 2 2 416.953 3.630 20 0 HHADLP Cc1ccc([C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cc1 ZINC000044850322 967302729 /nfs/dbraw/zinc/30/27/29/967302729.db2.gz KOFCSQPGGJJUGD-AREMUKBSSA-N 2 2 414.553 3.808 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045192393 967376645 /nfs/dbraw/zinc/37/66/45/967376645.db2.gz UGCVONLAKKLPFT-UHFFFAOYSA-N 2 2 417.557 3.917 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000046252024 967712088 /nfs/dbraw/zinc/71/20/88/967712088.db2.gz YGYJLUOUDRULND-OAQYLSRUSA-N 2 2 411.575 3.875 20 0 HHADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046586800 967869857 /nfs/dbraw/zinc/86/98/57/967869857.db2.gz OXNSYJOBYYYKCO-LJQANCHMSA-N 2 2 413.562 3.577 20 0 HHADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046586800 967869868 /nfs/dbraw/zinc/86/98/68/967869868.db2.gz OXNSYJOBYYYKCO-LJQANCHMSA-N 2 2 413.562 3.577 20 0 HHADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000554050941 1013774219 /nfs/dbraw/zinc/77/42/19/1013774219.db2.gz XWJSHWPCNPRHRH-UGKGYDQZSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000554050941 1013774226 /nfs/dbraw/zinc/77/42/26/1013774226.db2.gz XWJSHWPCNPRHRH-UGKGYDQZSA-N 2 2 414.594 3.778 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000047777650 968309433 /nfs/dbraw/zinc/30/94/33/968309433.db2.gz CGKKOGMVYJALMJ-OAQYLSRUSA-N 2 2 407.518 3.551 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048084048 968415241 /nfs/dbraw/zinc/41/52/41/968415241.db2.gz YJOGQQJYWZQQHR-BGYRXZFFSA-N 2 2 416.610 3.880 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048084048 968415246 /nfs/dbraw/zinc/41/52/46/968415246.db2.gz YJOGQQJYWZQQHR-BGYRXZFFSA-N 2 2 416.610 3.880 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048084048 968415252 /nfs/dbraw/zinc/41/52/52/968415252.db2.gz YJOGQQJYWZQQHR-BGYRXZFFSA-N 2 2 416.610 3.880 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048084048 968415258 /nfs/dbraw/zinc/41/52/58/968415258.db2.gz YJOGQQJYWZQQHR-BGYRXZFFSA-N 2 2 416.610 3.880 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109676 1013801365 /nfs/dbraw/zinc/80/13/65/1013801365.db2.gz ZZZIJUUQIYTDLG-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109676 1013801372 /nfs/dbraw/zinc/80/13/72/1013801372.db2.gz ZZZIJUUQIYTDLG-HNAYVOBHSA-N 2 2 419.570 3.939 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395055 968540776 /nfs/dbraw/zinc/54/07/76/968540776.db2.gz DTDZHGNVPLMZII-IBGZPJMESA-N 2 2 408.949 3.542 20 0 HHADLP CCOc1ccc([C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000538323921 1013850280 /nfs/dbraw/zinc/85/02/80/1013850280.db2.gz VQHRKACBANTNSM-DEOSSOPVSA-N 2 2 417.557 3.506 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554278611 1013890532 /nfs/dbraw/zinc/89/05/32/1013890532.db2.gz ODWKXNQAYSCGAE-NRFANRHFSA-N 2 2 416.569 3.891 20 0 HHADLP C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981542 970058489 /nfs/dbraw/zinc/05/84/89/970058489.db2.gz AHQZREIXIIZHPG-VGSWGCGISA-N 2 2 414.594 3.636 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2)CC1 ZINC000215995941 970059321 /nfs/dbraw/zinc/05/93/21/970059321.db2.gz HSBLIHWHGCUHFO-UHFFFAOYSA-N 2 2 413.566 3.805 20 0 HHADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236918052 970189177 /nfs/dbraw/zinc/18/91/77/970189177.db2.gz NJHADHRIXOCFJT-UHFFFAOYSA-N 2 2 404.352 3.997 20 0 HHADLP CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000236963226 970195760 /nfs/dbraw/zinc/19/57/60/970195760.db2.gz KBLQGNMPCYVHJT-UHFFFAOYSA-N 2 2 404.514 3.665 20 0 HHADLP CCn1nc(C)c(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000237031664 970210530 /nfs/dbraw/zinc/21/05/30/970210530.db2.gz NRXAHSJVKVACGB-UHFFFAOYSA-N 2 2 423.527 3.841 20 0 HHADLP CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC ZINC000237049026 970214157 /nfs/dbraw/zinc/21/41/57/970214157.db2.gz XXFWQGXDCYRDHN-UHFFFAOYSA-N 2 2 413.562 3.927 20 0 HHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000237052325 970215033 /nfs/dbraw/zinc/21/50/33/970215033.db2.gz FPSAXLDAQAKJSW-UHFFFAOYSA-N 2 2 418.582 3.649 20 0 HHADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nc[nH+]1 ZINC000237105768 970222824 /nfs/dbraw/zinc/22/28/24/970222824.db2.gz PGJKJUPONWFQMI-FQEVSTJZSA-N 2 2 405.550 3.586 20 0 HHADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000237152131 970232807 /nfs/dbraw/zinc/23/28/07/970232807.db2.gz YEEJQTWYYFBWMG-UHFFFAOYSA-N 2 2 418.965 3.864 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000145542271 970264497 /nfs/dbraw/zinc/26/44/97/970264497.db2.gz AFYBHTPLJGLSCH-YJBOKZPZSA-N 2 2 411.472 3.673 20 0 HHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1O ZINC000237379097 970274594 /nfs/dbraw/zinc/27/45/94/970274594.db2.gz UNTOYBRYAMBENX-UHFFFAOYSA-N 2 2 423.479 3.722 20 0 HHADLP COc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1OC ZINC000237386514 970275241 /nfs/dbraw/zinc/27/52/41/970275241.db2.gz ARXKJPJYWLGJCW-UHFFFAOYSA-N 2 2 423.479 3.764 20 0 HHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774628 970363840 /nfs/dbraw/zinc/36/38/40/970363840.db2.gz OBQLBMSNYFLVLN-PMACEKPBSA-N 2 2 405.546 3.523 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cn2c1 ZINC000195593253 970535858 /nfs/dbraw/zinc/53/58/58/970535858.db2.gz MGKKPDJWKMXFLG-UHFFFAOYSA-N 2 2 412.559 3.592 20 0 HHADLP CC(C)Cc1ccc([C@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[NH+](C)C)cc1 ZINC000554688476 1014013522 /nfs/dbraw/zinc/01/35/22/1014013522.db2.gz MZPFFWVOVXQKQK-IRLDBZIGSA-N 2 2 411.594 3.599 20 0 HHADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390847040 972832223 /nfs/dbraw/zinc/83/22/23/972832223.db2.gz FWYXDLKWDXCQCS-IBGZPJMESA-N 2 2 419.363 3.838 20 0 HHADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390847040 972832235 /nfs/dbraw/zinc/83/22/35/972832235.db2.gz FWYXDLKWDXCQCS-IBGZPJMESA-N 2 2 419.363 3.838 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000409478050 972927850 /nfs/dbraw/zinc/92/78/50/972927850.db2.gz YZLZTGCYXCVASQ-NRFANRHFSA-N 2 2 407.493 3.648 20 0 HHADLP CC(C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCC(C)CC1 ZINC000409479967 972929165 /nfs/dbraw/zinc/92/91/65/972929165.db2.gz ZUPHWZNQJXUFAH-NRFANRHFSA-N 2 2 401.530 3.567 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000554841179 1014070353 /nfs/dbraw/zinc/07/03/53/1014070353.db2.gz VEPYKSISQDDQFF-RTBURBONSA-N 2 2 411.512 3.678 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000554841179 1014070356 /nfs/dbraw/zinc/07/03/56/1014070356.db2.gz VEPYKSISQDDQFF-RTBURBONSA-N 2 2 411.512 3.678 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C2CC2)o1 ZINC000554840924 1014070422 /nfs/dbraw/zinc/07/04/22/1014070422.db2.gz IMGYUNAFGKVFSI-QHCPKHFHSA-N 2 2 409.574 3.969 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C2CC2)o1 ZINC000554840924 1014070425 /nfs/dbraw/zinc/07/04/25/1014070425.db2.gz IMGYUNAFGKVFSI-QHCPKHFHSA-N 2 2 409.574 3.969 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C2CC2)o1 ZINC000554840923 1014070455 /nfs/dbraw/zinc/07/04/55/1014070455.db2.gz IMGYUNAFGKVFSI-HSZRJFAPSA-N 2 2 409.574 3.969 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C2CC2)o1 ZINC000554840923 1014070459 /nfs/dbraw/zinc/07/04/59/1014070459.db2.gz IMGYUNAFGKVFSI-HSZRJFAPSA-N 2 2 409.574 3.969 20 0 HHADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000554841311 1014070488 /nfs/dbraw/zinc/07/04/88/1014070488.db2.gz BBLATAYIDKCZQI-JOCHJYFZSA-N 2 2 422.573 3.842 20 0 HHADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000554841311 1014070493 /nfs/dbraw/zinc/07/04/93/1014070493.db2.gz BBLATAYIDKCZQI-JOCHJYFZSA-N 2 2 422.573 3.842 20 0 HHADLP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554841464 1014070853 /nfs/dbraw/zinc/07/08/53/1014070853.db2.gz IMTLXVGADTWWCY-XMMPIXPASA-N 2 2 423.601 3.982 20 0 HHADLP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000554841464 1014070857 /nfs/dbraw/zinc/07/08/57/1014070857.db2.gz IMTLXVGADTWWCY-XMMPIXPASA-N 2 2 423.601 3.982 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(c2ccccc2)=N1 ZINC000554842525 1014071396 /nfs/dbraw/zinc/07/13/96/1014071396.db2.gz YDOZTFNOJXAUIY-HSZRJFAPSA-N 2 2 404.558 3.513 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCC(c2ccccc2)=N1 ZINC000554842525 1014071401 /nfs/dbraw/zinc/07/14/01/1014071401.db2.gz YDOZTFNOJXAUIY-HSZRJFAPSA-N 2 2 404.558 3.513 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310109 973850857 /nfs/dbraw/zinc/85/08/57/973850857.db2.gz HIQCSWIYFPDGHP-UHFFFAOYSA-N 2 2 421.589 3.578 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CCCCC4CCOCC4)C3)CC2)nc1 ZINC000410336043 973915626 /nfs/dbraw/zinc/91/56/26/973915626.db2.gz BWEOKJCOGDHHDW-QHCPKHFHSA-N 2 2 400.611 3.513 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CCCCC4CCOCC4)C3)CC2)nc1 ZINC000410336043 973915649 /nfs/dbraw/zinc/91/56/49/973915649.db2.gz BWEOKJCOGDHHDW-QHCPKHFHSA-N 2 2 400.611 3.513 20 0 HHADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987472 974098861 /nfs/dbraw/zinc/09/88/61/974098861.db2.gz ZTSLDYMQWGCCFH-QHCPKHFHSA-N 2 2 416.949 3.570 20 0 HHADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987472 974098866 /nfs/dbraw/zinc/09/88/66/974098866.db2.gz ZTSLDYMQWGCCFH-QHCPKHFHSA-N 2 2 416.949 3.570 20 0 HHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987472 974098873 /nfs/dbraw/zinc/09/88/73/974098873.db2.gz ZTSLDYMQWGCCFH-QHCPKHFHSA-N 2 2 416.949 3.570 20 0 HHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987472 974098886 /nfs/dbraw/zinc/09/88/86/974098886.db2.gz ZTSLDYMQWGCCFH-QHCPKHFHSA-N 2 2 416.949 3.570 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426025938 974146457 /nfs/dbraw/zinc/14/64/57/974146457.db2.gz XGGIHTSBDPVXHK-WOEVYDRPSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426025938 974146463 /nfs/dbraw/zinc/14/64/63/974146463.db2.gz XGGIHTSBDPVXHK-WOEVYDRPSA-N 2 2 409.578 3.777 20 0 HHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000426146896 974265359 /nfs/dbraw/zinc/26/53/59/974265359.db2.gz AJMQOKXHLDGIJK-UHFFFAOYSA-N 2 2 423.561 3.737 20 0 HHADLP C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000426152006 974268967 /nfs/dbraw/zinc/26/89/67/974268967.db2.gz YONITAHVVZSCHA-DENIHFKCSA-N 2 2 411.550 3.863 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)C[C@@H](C)O1 ZINC000426805246 974673565 /nfs/dbraw/zinc/67/35/65/974673565.db2.gz ZRBOCHMEAKGSKR-IAGOWNOFSA-N 2 2 424.545 3.793 20 0 HHADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426808484 974675674 /nfs/dbraw/zinc/67/56/74/974675674.db2.gz MTLRTGJZDPQKHV-SFHVURJKSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426808484 974675679 /nfs/dbraw/zinc/67/56/79/974675679.db2.gz MTLRTGJZDPQKHV-SFHVURJKSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000426810552 974677274 /nfs/dbraw/zinc/67/72/74/974677274.db2.gz ITGHRXSJYHTZMU-WOJBJXKFSA-N 2 2 412.578 3.566 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842651 975317128 /nfs/dbraw/zinc/31/71/28/975317128.db2.gz KUEAXIJRVFKUBJ-WMZHIEFXSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842651 975317134 /nfs/dbraw/zinc/31/71/34/975317134.db2.gz KUEAXIJRVFKUBJ-WMZHIEFXSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427865757 975327534 /nfs/dbraw/zinc/32/75/34/975327534.db2.gz JAJLSKRLKXNOMQ-AAEUAGOBSA-N 2 2 400.832 3.877 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)c1 ZINC000427880732 975331578 /nfs/dbraw/zinc/33/15/78/975331578.db2.gz GURAMESHHQEHSP-GHTZIAJQSA-N 2 2 415.946 3.634 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000427887979 975333642 /nfs/dbraw/zinc/33/36/42/975333642.db2.gz CEUBCPUANUZPBU-YLJYHZDGSA-N 2 2 416.591 3.550 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431824 975746222 /nfs/dbraw/zinc/74/62/22/975746222.db2.gz NOZQYYBBOZZBPE-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431824 975746227 /nfs/dbraw/zinc/74/62/27/975746227.db2.gz NOZQYYBBOZZBPE-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431824 975746235 /nfs/dbraw/zinc/74/62/35/975746235.db2.gz NOZQYYBBOZZBPE-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431824 975746243 /nfs/dbraw/zinc/74/62/43/975746243.db2.gz NOZQYYBBOZZBPE-QHCPKHFHSA-N 2 2 410.949 3.799 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428478785 975776845 /nfs/dbraw/zinc/77/68/45/975776845.db2.gz JHPRJATXNLTIJB-NQIIRXRSSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000428478785 975776854 /nfs/dbraw/zinc/77/68/54/975776854.db2.gz JHPRJATXNLTIJB-NQIIRXRSSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428478783 975777213 /nfs/dbraw/zinc/77/72/13/975777213.db2.gz JHPRJATXNLTIJB-GHTZIAJQSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000428478783 975777225 /nfs/dbraw/zinc/77/72/25/975777225.db2.gz JHPRJATXNLTIJB-GHTZIAJQSA-N 2 2 421.520 3.864 20 0 HHADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428480820 975779588 /nfs/dbraw/zinc/77/95/88/975779588.db2.gz JCMMLPSQGUSBEV-INIZCTEOSA-N 2 2 416.572 3.667 20 0 HHADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428480820 975779593 /nfs/dbraw/zinc/77/95/93/975779593.db2.gz JCMMLPSQGUSBEV-INIZCTEOSA-N 2 2 416.572 3.667 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc2)CC1 ZINC000428481370 975780012 /nfs/dbraw/zinc/78/00/12/975780012.db2.gz MUIXUCZVUJZKEC-JOCHJYFZSA-N 2 2 409.578 3.834 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000428503103 975799778 /nfs/dbraw/zinc/79/97/78/975799778.db2.gz LVLUNWMTYFFYBI-SIKLNZKXSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000428503103 975799789 /nfs/dbraw/zinc/79/97/89/975799789.db2.gz LVLUNWMTYFFYBI-SIKLNZKXSA-N 2 2 403.530 3.725 20 0 HHADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539873 975841208 /nfs/dbraw/zinc/84/12/08/975841208.db2.gz QQSZPNFZJBBYFF-OFNKIYASSA-N 2 2 422.573 3.699 20 0 HHADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539873 975841221 /nfs/dbraw/zinc/84/12/21/975841221.db2.gz QQSZPNFZJBBYFF-OFNKIYASSA-N 2 2 422.573 3.699 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000428566694 975879500 /nfs/dbraw/zinc/87/95/00/975879500.db2.gz MZUXQEHVNYEMQZ-OAQYLSRUSA-N 2 2 403.615 3.912 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000428566694 975879522 /nfs/dbraw/zinc/87/95/22/975879522.db2.gz MZUXQEHVNYEMQZ-OAQYLSRUSA-N 2 2 403.615 3.912 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428650009 975951341 /nfs/dbraw/zinc/95/13/41/975951341.db2.gz OFCIGTCVDTXMTO-AWEZNQCLSA-N 2 2 423.330 3.605 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428650009 975951350 /nfs/dbraw/zinc/95/13/50/975951350.db2.gz OFCIGTCVDTXMTO-AWEZNQCLSA-N 2 2 423.330 3.605 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000429015329 976295773 /nfs/dbraw/zinc/29/57/73/976295773.db2.gz XTTGAXRFSUQZAM-UHFFFAOYSA-N 2 2 403.615 3.910 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038884 976322717 /nfs/dbraw/zinc/32/27/17/976322717.db2.gz GQMZEXFLSLKPGZ-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038884 976322731 /nfs/dbraw/zinc/32/27/31/976322731.db2.gz GQMZEXFLSLKPGZ-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429038884 976322746 /nfs/dbraw/zinc/32/27/46/976322746.db2.gz GQMZEXFLSLKPGZ-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429038884 976322756 /nfs/dbraw/zinc/32/27/56/976322756.db2.gz GQMZEXFLSLKPGZ-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000429775424 977060586 /nfs/dbraw/zinc/06/05/86/977060586.db2.gz OZPXYABJOUDEQN-MSOLQXFVSA-N 2 2 423.483 3.599 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814546 977088071 /nfs/dbraw/zinc/08/80/71/977088071.db2.gz MHKLXOJOKYFEEV-OXJNMPFZSA-N 2 2 411.512 3.859 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814546 977088081 /nfs/dbraw/zinc/08/80/81/977088081.db2.gz MHKLXOJOKYFEEV-OXJNMPFZSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814546 977088087 /nfs/dbraw/zinc/08/80/87/977088087.db2.gz MHKLXOJOKYFEEV-OXJNMPFZSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C)C1 ZINC000429814546 977088101 /nfs/dbraw/zinc/08/81/01/977088101.db2.gz MHKLXOJOKYFEEV-OXJNMPFZSA-N 2 2 411.512 3.859 20 0 HHADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000430422242 977535338 /nfs/dbraw/zinc/53/53/38/977535338.db2.gz CIPMCUXPFGTPTM-RBUKOAKNSA-N 2 2 408.384 3.529 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000430651829 977668589 /nfs/dbraw/zinc/66/85/89/977668589.db2.gz MLLYCLXSXLKTJR-QDSKXPNFSA-N 2 2 423.626 3.946 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000430651829 977668595 /nfs/dbraw/zinc/66/85/95/977668595.db2.gz MLLYCLXSXLKTJR-QDSKXPNFSA-N 2 2 423.626 3.946 20 0 HHADLP Cc1ccc(SC2(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)CCCC2)cc1 ZINC000430772990 977747531 /nfs/dbraw/zinc/74/75/31/977747531.db2.gz PIUWAKBFUAPOKM-UHFFFAOYSA-N 2 2 403.636 3.884 20 0 HHADLP Cc1ccc(SC2(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)CCCC2)cc1 ZINC000430772990 977747539 /nfs/dbraw/zinc/74/75/39/977747539.db2.gz PIUWAKBFUAPOKM-UHFFFAOYSA-N 2 2 403.636 3.884 20 0 HHADLP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000430817172 977774536 /nfs/dbraw/zinc/77/45/36/977774536.db2.gz QMVSEBKXBIIMHA-ILBGXUMGSA-N 2 2 405.542 3.996 20 0 HHADLP C[NH+](C)CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCCC1 ZINC000430901066 977868782 /nfs/dbraw/zinc/86/87/82/977868782.db2.gz RZNJIGJXNHEHHU-UHFFFAOYSA-N 2 2 417.985 3.870 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1cc(Cl)ccc1F ZINC000430922938 977890135 /nfs/dbraw/zinc/89/01/35/977890135.db2.gz BITCGHBTFPZADC-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1cc(Cl)ccc1F ZINC000430922938 977890145 /nfs/dbraw/zinc/89/01/45/977890145.db2.gz BITCGHBTFPZADC-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000431207267 978092685 /nfs/dbraw/zinc/09/26/85/978092685.db2.gz MQKFVEISJIJFGP-UXHICEINSA-N 2 2 413.566 3.984 20 0 HHADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431796115 978518826 /nfs/dbraw/zinc/51/88/26/978518826.db2.gz SGHBMURXJHDMQW-UHFFFAOYSA-N 2 2 423.561 3.534 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909360 978593171 /nfs/dbraw/zinc/59/31/71/978593171.db2.gz MYVVFSQTURYMPZ-NHTMILBNSA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909360 978593173 /nfs/dbraw/zinc/59/31/73/978593173.db2.gz MYVVFSQTURYMPZ-NHTMILBNSA-N 2 2 413.606 3.521 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431911148 978594726 /nfs/dbraw/zinc/59/47/26/978594726.db2.gz XXMYNTAAHXISGP-RBUKOAKNSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431911148 978594729 /nfs/dbraw/zinc/59/47/29/978594729.db2.gz XXMYNTAAHXISGP-RBUKOAKNSA-N 2 2 415.607 3.547 20 0 HHADLP O=C(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000432025003 978651597 /nfs/dbraw/zinc/65/15/97/978651597.db2.gz NGHWGDBSJJZKMV-NRFANRHFSA-N 2 2 414.500 3.626 20 0 HHADLP O=C(CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000432025003 978651600 /nfs/dbraw/zinc/65/16/00/978651600.db2.gz NGHWGDBSJJZKMV-NRFANRHFSA-N 2 2 414.500 3.626 20 0 HHADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205834 979141144 /nfs/dbraw/zinc/14/11/44/979141144.db2.gz FIHCAAMTJMYZFH-RDTXWAMCSA-N 2 2 403.548 3.879 20 0 HHADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205834 979141149 /nfs/dbraw/zinc/14/11/49/979141149.db2.gz FIHCAAMTJMYZFH-RDTXWAMCSA-N 2 2 403.548 3.879 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccccc3C[NH+](C)C)CC2)c1C ZINC000433344016 979251184 /nfs/dbraw/zinc/25/11/84/979251184.db2.gz QBMJIALYRYEJLN-UHFFFAOYSA-N 2 2 424.589 3.505 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433995672 979743692 /nfs/dbraw/zinc/74/36/92/979743692.db2.gz VWUUMOMAZCCAMT-WMZHIEFXSA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433995672 979743696 /nfs/dbraw/zinc/74/36/96/979743696.db2.gz VWUUMOMAZCCAMT-WMZHIEFXSA-N 2 2 408.546 3.819 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434109447 979861193 /nfs/dbraw/zinc/86/11/93/979861193.db2.gz RGMOXJOGNAJRAA-HSZRJFAPSA-N 2 2 408.546 3.821 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000434260679 980024364 /nfs/dbraw/zinc/02/43/64/980024364.db2.gz MKLBIWRIUKHTCQ-OAQYLSRUSA-N 2 2 413.541 3.550 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000434671016 980331466 /nfs/dbraw/zinc/33/14/66/980331466.db2.gz FYCHXQQAOXYYKK-UHFFFAOYSA-N 2 2 422.451 3.936 20 0 HHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434752439 980379672 /nfs/dbraw/zinc/37/96/72/980379672.db2.gz BFHCYNSNEOWEQU-MRXNPFEDSA-N 2 2 400.954 3.930 20 0 HHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000434976952 980544611 /nfs/dbraw/zinc/54/46/11/980544611.db2.gz FLRJRGLVDUNWSA-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000434976952 980544617 /nfs/dbraw/zinc/54/46/17/980544617.db2.gz FLRJRGLVDUNWSA-UHFFFAOYSA-N 2 2 406.929 3.947 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000434978697 980546170 /nfs/dbraw/zinc/54/61/70/980546170.db2.gz PCBIRXUUACJWGD-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000434978697 980546173 /nfs/dbraw/zinc/54/61/73/980546173.db2.gz PCBIRXUUACJWGD-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)CC2)CC1 ZINC000435325426 980783917 /nfs/dbraw/zinc/78/39/17/980783917.db2.gz BAWQHCIVXZJPIU-UHFFFAOYSA-N 2 2 420.985 3.734 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380676 981337848 /nfs/dbraw/zinc/33/78/48/981337848.db2.gz ZRVBSFXDLNHHIK-RTWAWAEBSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380676 981337854 /nfs/dbraw/zinc/33/78/54/981337854.db2.gz ZRVBSFXDLNHHIK-RTWAWAEBSA-N 2 2 422.573 3.518 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460110658 981885909 /nfs/dbraw/zinc/88/59/09/981885909.db2.gz MRKAJJSNSSOTFO-GOTSBHOMSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460110658 981885917 /nfs/dbraw/zinc/88/59/17/981885917.db2.gz MRKAJJSNSSOTFO-GOTSBHOMSA-N 2 2 415.541 3.536 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318163 982096191 /nfs/dbraw/zinc/09/61/91/982096191.db2.gz KVISOCFFKBJSOH-VQIMIIECSA-N 2 2 421.467 3.510 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318163 982096202 /nfs/dbraw/zinc/09/62/02/982096202.db2.gz KVISOCFFKBJSOH-VQIMIIECSA-N 2 2 421.467 3.510 20 0 HHADLP CCCOc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc2ccccc21 ZINC000460478549 982271228 /nfs/dbraw/zinc/27/12/28/982271228.db2.gz FXGDZBHFBQHTLS-UHFFFAOYSA-N 2 2 424.589 3.704 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H](OC2CCCC2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460480883 982273393 /nfs/dbraw/zinc/27/33/93/982273393.db2.gz PNUCFKXTINOGCA-QHCPKHFHSA-N 2 2 413.606 3.753 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(-c3ccccc3)o2)([NH+]2CCCCC2)CC1 ZINC000460498624 982287277 /nfs/dbraw/zinc/28/72/77/982287277.db2.gz HQCUEEGNSJDOMA-UHFFFAOYSA-N 2 2 409.574 3.946 20 0 HHADLP Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000438339496 982731545 /nfs/dbraw/zinc/73/15/45/982731545.db2.gz IDMLMBMMBHWTEL-UHFFFAOYSA-N 2 2 408.590 3.827 20 0 HHADLP Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000438339496 982731556 /nfs/dbraw/zinc/73/15/56/982731556.db2.gz IDMLMBMMBHWTEL-UHFFFAOYSA-N 2 2 408.590 3.827 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000438665596 982984296 /nfs/dbraw/zinc/98/42/96/982984296.db2.gz NBNBRMCPZGVFLA-UHFFFAOYSA-N 2 2 413.547 3.619 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451811 983117510 /nfs/dbraw/zinc/11/75/10/983117510.db2.gz TVJLIYYADXNOPH-DNQXCXABSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451811 983117512 /nfs/dbraw/zinc/11/75/12/983117512.db2.gz TVJLIYYADXNOPH-DNQXCXABSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467195 983129289 /nfs/dbraw/zinc/12/92/89/983129289.db2.gz MVZYQAWRISYUST-XMMPIXPASA-N 2 2 416.569 3.892 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467195 983129292 /nfs/dbraw/zinc/12/92/92/983129292.db2.gz MVZYQAWRISYUST-XMMPIXPASA-N 2 2 416.569 3.892 20 0 HHADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322884 983364826 /nfs/dbraw/zinc/36/48/26/983364826.db2.gz QCKMQNSNRXTUBB-OFNKIYASSA-N 2 2 407.558 3.725 20 0 HHADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322884 983364833 /nfs/dbraw/zinc/36/48/33/983364833.db2.gz QCKMQNSNRXTUBB-OFNKIYASSA-N 2 2 407.558 3.725 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000441225224 984125255 /nfs/dbraw/zinc/12/52/55/984125255.db2.gz DUNYLRUESWPSIS-LJQANCHMSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000441225224 984125268 /nfs/dbraw/zinc/12/52/68/984125268.db2.gz DUNYLRUESWPSIS-LJQANCHMSA-N 2 2 416.610 3.564 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341206 984196288 /nfs/dbraw/zinc/19/62/88/984196288.db2.gz SQKQJBQXHNABBU-VQIMIIECSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441341206 984196293 /nfs/dbraw/zinc/19/62/93/984196293.db2.gz SQKQJBQXHNABBU-VQIMIIECSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441341206 984196297 /nfs/dbraw/zinc/19/62/97/984196297.db2.gz SQKQJBQXHNABBU-VQIMIIECSA-N 2 2 410.400 3.602 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441341206 984196300 /nfs/dbraw/zinc/19/63/00/984196300.db2.gz SQKQJBQXHNABBU-VQIMIIECSA-N 2 2 410.400 3.602 20 0 HHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441364150 984209741 /nfs/dbraw/zinc/20/97/41/984209741.db2.gz LPLRXSDUERRTEC-WIYYLYMNSA-N 2 2 422.529 3.875 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441380269 984220167 /nfs/dbraw/zinc/22/01/67/984220167.db2.gz FPSUZYMFACPJHO-GCJKJVERSA-N 2 2 422.529 3.875 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000441380437 984220213 /nfs/dbraw/zinc/22/02/13/984220213.db2.gz FYOIIRZBIAQSTO-SFTDATJTSA-N 2 2 404.514 3.645 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441380275 984220339 /nfs/dbraw/zinc/22/03/39/984220339.db2.gz FPSUZYMFACPJHO-XMSQKQJNSA-N 2 2 422.529 3.875 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397467 984230142 /nfs/dbraw/zinc/23/01/42/984230142.db2.gz ABRGPEJNDIBNLL-OYDLWJJNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441397467 984230144 /nfs/dbraw/zinc/23/01/44/984230144.db2.gz ABRGPEJNDIBNLL-OYDLWJJNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441397467 984230149 /nfs/dbraw/zinc/23/01/49/984230149.db2.gz ABRGPEJNDIBNLL-OYDLWJJNSA-N 2 2 411.590 3.698 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441397467 984230156 /nfs/dbraw/zinc/23/01/56/984230156.db2.gz ABRGPEJNDIBNLL-OYDLWJJNSA-N 2 2 411.590 3.698 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408149 984236035 /nfs/dbraw/zinc/23/60/35/984236035.db2.gz WGYPUZKHIBAVMY-LPHOPBHVSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408149 984236040 /nfs/dbraw/zinc/23/60/40/984236040.db2.gz WGYPUZKHIBAVMY-LPHOPBHVSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408149 984236049 /nfs/dbraw/zinc/23/60/49/984236049.db2.gz WGYPUZKHIBAVMY-LPHOPBHVSA-N 2 2 410.389 3.601 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCCc1cccc(Cl)c1Cl ZINC000441408149 984236055 /nfs/dbraw/zinc/23/60/55/984236055.db2.gz WGYPUZKHIBAVMY-LPHOPBHVSA-N 2 2 410.389 3.601 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415321 984239622 /nfs/dbraw/zinc/23/96/22/984239622.db2.gz MEIWHPWEYNQNEM-RDGATRHJSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2c1 ZINC000441415321 984239625 /nfs/dbraw/zinc/23/96/25/984239625.db2.gz MEIWHPWEYNQNEM-RDGATRHJSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2c1 ZINC000441415321 984239630 /nfs/dbraw/zinc/23/96/30/984239630.db2.gz MEIWHPWEYNQNEM-RDGATRHJSA-N 2 2 421.585 3.756 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000441415321 984239633 /nfs/dbraw/zinc/23/96/33/984239633.db2.gz MEIWHPWEYNQNEM-RDGATRHJSA-N 2 2 421.585 3.756 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000442239534 984760649 /nfs/dbraw/zinc/76/06/49/984760649.db2.gz UEGXMSIXKFOXLZ-FYYLOGMGSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000442239534 984760652 /nfs/dbraw/zinc/76/06/52/984760652.db2.gz UEGXMSIXKFOXLZ-FYYLOGMGSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000442239491 984760727 /nfs/dbraw/zinc/76/07/27/984760727.db2.gz LGOJDZQPOUVWJP-GMAHTHKFSA-N 2 2 409.578 3.901 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)CC1 ZINC000461792568 984781443 /nfs/dbraw/zinc/78/14/43/984781443.db2.gz WLYUHENDCUHGHW-SFHVURJKSA-N 2 2 413.537 3.768 20 0 HHADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000462104457 985074786 /nfs/dbraw/zinc/07/47/86/985074786.db2.gz KRABTQFJWVINSK-LJQANCHMSA-N 2 2 424.570 3.685 20 0 HHADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000462104454 985074977 /nfs/dbraw/zinc/07/49/77/985074977.db2.gz KRABTQFJWVINSK-IBGZPJMESA-N 2 2 424.570 3.685 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000442595950 985081254 /nfs/dbraw/zinc/08/12/54/985081254.db2.gz OOUDJCBLJWTSDG-JOCHJYFZSA-N 2 2 400.611 3.758 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000442595950 985081271 /nfs/dbraw/zinc/08/12/71/985081271.db2.gz OOUDJCBLJWTSDG-JOCHJYFZSA-N 2 2 400.611 3.758 20 0 HHADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000462183990 985164730 /nfs/dbraw/zinc/16/47/30/985164730.db2.gz ARCUOTBLXFZTCE-QGZVFWFLSA-N 2 2 422.411 3.619 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000462202127 985184358 /nfs/dbraw/zinc/18/43/58/985184358.db2.gz LPGQETIOGKYOGA-INIZCTEOSA-N 2 2 404.555 3.537 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255933 985240814 /nfs/dbraw/zinc/24/08/14/985240814.db2.gz RXJWQRYXJHRFEW-NMMYMHLASA-N 2 2 422.573 3.722 20 0 HHADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000462303797 985289480 /nfs/dbraw/zinc/28/94/80/985289480.db2.gz BHJPJCKWSCOHHX-IRXDYDNUSA-N 2 2 418.632 3.645 20 0 HHADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000462303797 985289486 /nfs/dbraw/zinc/28/94/86/985289486.db2.gz BHJPJCKWSCOHHX-IRXDYDNUSA-N 2 2 418.632 3.645 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000462303795 985290283 /nfs/dbraw/zinc/29/02/83/985290283.db2.gz BHJPJCKWSCOHHX-DLBZAZTESA-N 2 2 418.632 3.645 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000462303795 985290289 /nfs/dbraw/zinc/29/02/89/985290289.db2.gz BHJPJCKWSCOHHX-DLBZAZTESA-N 2 2 418.632 3.645 20 0 HHADLP C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000468022311 985675644 /nfs/dbraw/zinc/67/56/44/985675644.db2.gz YZDRJWMCWRLTPN-KRWDZBQOSA-N 2 2 420.548 3.544 20 0 HHADLP C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443598591 985775425 /nfs/dbraw/zinc/77/54/25/985775425.db2.gz AFRHWMLKFLJXTA-NRFANRHFSA-N 2 2 421.507 3.643 20 0 HHADLP C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000443598591 985775439 /nfs/dbraw/zinc/77/54/39/985775439.db2.gz AFRHWMLKFLJXTA-NRFANRHFSA-N 2 2 421.507 3.643 20 0 HHADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623411 985800602 /nfs/dbraw/zinc/80/06/02/985800602.db2.gz LOWAWYRURIINMW-ATZDWAIDSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623411 985800624 /nfs/dbraw/zinc/80/06/24/985800624.db2.gz LOWAWYRURIINMW-ATZDWAIDSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021083 985979881 /nfs/dbraw/zinc/97/98/81/985979881.db2.gz OERFWADXOADTLO-REWPJTCUSA-N 2 2 409.578 3.605 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021083 985979893 /nfs/dbraw/zinc/97/98/93/985979893.db2.gz OERFWADXOADTLO-REWPJTCUSA-N 2 2 409.578 3.605 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088365 /nfs/dbraw/zinc/08/83/65/986088365.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 3 2 405.602 3.559 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088375 /nfs/dbraw/zinc/08/83/75/986088375.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 3 2 405.602 3.559 20 0 HHADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463137617 986106329 /nfs/dbraw/zinc/10/63/29/986106329.db2.gz LLVDECAUKHTVRH-AREMUKBSSA-N 2 2 407.602 3.665 20 0 HHADLP COC(=O)C[NH+]1CCC(Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000468477041 986171802 /nfs/dbraw/zinc/17/18/02/986171802.db2.gz FXUIOUBENIJTAU-HSZRJFAPSA-N 2 2 417.594 3.515 20 0 HHADLP COC(=O)C[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000468477041 986171806 /nfs/dbraw/zinc/17/18/06/986171806.db2.gz FXUIOUBENIJTAU-HSZRJFAPSA-N 2 2 417.594 3.515 20 0 HHADLP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000443982565 986186204 /nfs/dbraw/zinc/18/62/04/986186204.db2.gz GPXWMKYPOAJZPG-LBPRGKRZSA-N 2 2 402.461 3.904 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246876 986214633 /nfs/dbraw/zinc/21/46/33/986214633.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246876 986214644 /nfs/dbraw/zinc/21/46/44/986214644.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246876 986214652 /nfs/dbraw/zinc/21/46/52/986214652.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246876 986214658 /nfs/dbraw/zinc/21/46/58/986214658.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246875 986214802 /nfs/dbraw/zinc/21/48/02/986214802.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246875 986214814 /nfs/dbraw/zinc/21/48/14/986214814.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246875 986214822 /nfs/dbraw/zinc/21/48/22/986214822.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246875 986214836 /nfs/dbraw/zinc/21/48/36/986214836.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 3 2 419.613 3.655 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444045876 986243082 /nfs/dbraw/zinc/24/30/82/986243082.db2.gz MBEQJNFXMAOGKG-UGKGYDQZSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444045876 986243094 /nfs/dbraw/zinc/24/30/94/986243094.db2.gz MBEQJNFXMAOGKG-UGKGYDQZSA-N 2 2 409.578 3.884 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000468550952 986257331 /nfs/dbraw/zinc/25/73/31/986257331.db2.gz BLSNOTIXTSNBGU-AWEZNQCLSA-N 2 2 401.364 3.998 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210483 986391682 /nfs/dbraw/zinc/39/16/82/986391682.db2.gz HSHMAIVUZDNFAC-FXAWDEMLSA-N 2 2 407.505 3.591 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210483 986391687 /nfs/dbraw/zinc/39/16/87/986391687.db2.gz HSHMAIVUZDNFAC-FXAWDEMLSA-N 2 2 407.505 3.591 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437350 986414757 /nfs/dbraw/zinc/41/47/57/986414757.db2.gz POBXGNYBTMSCBA-CLJLJLNGSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437350 986414760 /nfs/dbraw/zinc/41/47/60/986414760.db2.gz POBXGNYBTMSCBA-CLJLJLNGSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437350 986414764 /nfs/dbraw/zinc/41/47/64/986414764.db2.gz POBXGNYBTMSCBA-CLJLJLNGSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@@]1(Cc2ccccc2)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437350 986414767 /nfs/dbraw/zinc/41/47/67/986414767.db2.gz POBXGNYBTMSCBA-CLJLJLNGSA-N 2 2 408.586 3.595 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000444334213 986511423 /nfs/dbraw/zinc/51/14/23/986511423.db2.gz AMHXEYFQMHZIGI-KSFYIVLOSA-N 2 2 409.509 3.983 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000444345528 986527045 /nfs/dbraw/zinc/52/70/45/986527045.db2.gz RXUAPBJQNRVGBA-HTAPYJJXSA-N 2 2 421.545 3.852 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000444345865 986528058 /nfs/dbraw/zinc/52/80/58/986528058.db2.gz SHBCFRRUJIQMKY-UTKZUKDTSA-N 2 2 407.518 3.971 20 0 HHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468940567 986645318 /nfs/dbraw/zinc/64/53/18/986645318.db2.gz JEXBZBWXYSQZQI-IRXDYDNUSA-N 2 2 421.383 3.524 20 0 HHADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC2)CCO1 ZINC000463708353 986694159 /nfs/dbraw/zinc/69/41/59/986694159.db2.gz YKQHUUQHXNUTRN-GOSISDBHSA-N 2 2 423.561 3.603 20 0 HHADLP C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC2)CCO1 ZINC000463708353 986694161 /nfs/dbraw/zinc/69/41/61/986694161.db2.gz YKQHUUQHXNUTRN-GOSISDBHSA-N 2 2 423.561 3.603 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000469036267 986746045 /nfs/dbraw/zinc/74/60/45/986746045.db2.gz PNVIKPKTUQPQGE-ROKPMTFOSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000469036267 986746055 /nfs/dbraw/zinc/74/60/55/986746055.db2.gz PNVIKPKTUQPQGE-ROKPMTFOSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000469116201 986832199 /nfs/dbraw/zinc/83/21/99/986832199.db2.gz ODWJELKJOMYJHD-REHUZNOOSA-N 2 2 422.573 3.922 20 0 HHADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1 ZINC000444747132 986910661 /nfs/dbraw/zinc/91/06/61/986910661.db2.gz HZHMDBDUTSSPKS-HRAATJIYSA-N 2 2 401.938 3.650 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188807 986913620 /nfs/dbraw/zinc/91/36/20/986913620.db2.gz HMASWYUKPIPMGA-HRAATJIYSA-N 2 2 410.953 3.624 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188807 986913631 /nfs/dbraw/zinc/91/36/31/986913631.db2.gz HMASWYUKPIPMGA-HRAATJIYSA-N 2 2 410.953 3.624 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469298811 987014591 /nfs/dbraw/zinc/01/45/91/987014591.db2.gz SGXNDUWTTZSKNC-QHCPKHFHSA-N 2 2 413.512 3.710 20 0 HHADLP Cc1ncc(-c2ccccc2)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444884759 987035356 /nfs/dbraw/zinc/03/53/56/987035356.db2.gz YMIFECVVJPLIQC-UHFFFAOYSA-N 2 2 407.562 3.737 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000469433543 987120216 /nfs/dbraw/zinc/12/02/16/987120216.db2.gz FVKGLSDFGYMCKR-JOCHJYFZSA-N 2 2 409.578 3.638 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000469433543 987120217 /nfs/dbraw/zinc/12/02/17/987120217.db2.gz FVKGLSDFGYMCKR-JOCHJYFZSA-N 2 2 409.578 3.638 20 0 HHADLP Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1Br ZINC000469609432 987272462 /nfs/dbraw/zinc/27/24/62/987272462.db2.gz PUJSDERTYLDRFK-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000469655893 987313201 /nfs/dbraw/zinc/31/32/01/987313201.db2.gz MGCLZCZPYZEHHP-UHFFFAOYSA-N 2 2 408.468 3.829 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000469655893 987313212 /nfs/dbraw/zinc/31/32/12/987313212.db2.gz MGCLZCZPYZEHHP-UHFFFAOYSA-N 2 2 408.468 3.829 20 0 HHADLP Cc1cccc(S(=O)(=O)CCC[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469765814 987418620 /nfs/dbraw/zinc/41/86/20/987418620.db2.gz VHRAMIGGUACJRY-RMNGQBEXSA-N 2 2 414.615 3.905 20 0 HHADLP Cc1cccc(S(=O)(=O)CCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000469765814 987418625 /nfs/dbraw/zinc/41/86/25/987418625.db2.gz VHRAMIGGUACJRY-RMNGQBEXSA-N 2 2 414.615 3.905 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000469783463 987429940 /nfs/dbraw/zinc/42/99/40/987429940.db2.gz NMGQXFIUAYFEPL-LXZJYRNTSA-N 2 2 401.580 3.620 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000469783463 987429944 /nfs/dbraw/zinc/42/99/44/987429944.db2.gz NMGQXFIUAYFEPL-LXZJYRNTSA-N 2 2 401.580 3.620 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469839148 987474315 /nfs/dbraw/zinc/47/43/15/987474315.db2.gz SCTKKTWVFNBMHN-LEWJYISDSA-N 2 2 414.937 3.735 20 0 HHADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000469839985 987475158 /nfs/dbraw/zinc/47/51/58/987475158.db2.gz CNWAKOTXDMPCBV-LAUBAEHRSA-N 2 2 415.969 3.794 20 0 HHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000469973313 987590633 /nfs/dbraw/zinc/59/06/33/987590633.db2.gz MFIVIXMLQRXSHZ-MFKMUULPSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000469973313 987590638 /nfs/dbraw/zinc/59/06/38/987590638.db2.gz MFIVIXMLQRXSHZ-MFKMUULPSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973313 987590644 /nfs/dbraw/zinc/59/06/44/987590644.db2.gz MFIVIXMLQRXSHZ-MFKMUULPSA-N 2 2 405.178 3.708 20 0 HHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC[NH+]1C ZINC000469973313 987590649 /nfs/dbraw/zinc/59/06/49/987590649.db2.gz MFIVIXMLQRXSHZ-MFKMUULPSA-N 2 2 405.178 3.708 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000470028136 987639623 /nfs/dbraw/zinc/63/96/23/987639623.db2.gz LYYLXOBORROMII-KRWDZBQOSA-N 2 2 409.456 3.505 20 0 HHADLP CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000470029343 987641257 /nfs/dbraw/zinc/64/12/57/987641257.db2.gz FQVQBNFHFOUMAB-QFIPXVFZSA-N 2 2 418.626 3.840 20 0 HHADLP CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470029343 987641260 /nfs/dbraw/zinc/64/12/60/987641260.db2.gz FQVQBNFHFOUMAB-QFIPXVFZSA-N 2 2 418.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000470496712 988489905 /nfs/dbraw/zinc/48/99/05/988489905.db2.gz HNVUCDDDPOSUDF-UHFFFAOYSA-N 2 2 403.615 3.838 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000470598667 988614770 /nfs/dbraw/zinc/61/47/70/988614770.db2.gz GVOIPWJJIWNBIL-LJQANCHMSA-N 2 2 402.420 3.924 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600124 988616605 /nfs/dbraw/zinc/61/66/05/988616605.db2.gz LJLZSHXOFMMFOW-VQTJNVASSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600124 988616615 /nfs/dbraw/zinc/61/66/15/988616615.db2.gz LJLZSHXOFMMFOW-VQTJNVASSA-N 2 2 405.464 3.699 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000464783346 989012140 /nfs/dbraw/zinc/01/21/40/989012140.db2.gz JSPFJKZGSBWWRA-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000464783346 989012148 /nfs/dbraw/zinc/01/21/48/989012148.db2.gz JSPFJKZGSBWWRA-CVEARBPZSA-N 2 2 401.624 3.605 20 0 HHADLP CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805253 989036268 /nfs/dbraw/zinc/03/62/68/989036268.db2.gz LWXCARLYMCWOSX-HXUWFJFHSA-N 2 2 406.574 3.988 20 0 HHADLP CC[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805253 989036277 /nfs/dbraw/zinc/03/62/77/989036277.db2.gz LWXCARLYMCWOSX-HXUWFJFHSA-N 2 2 406.574 3.988 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841015 989086913 /nfs/dbraw/zinc/08/69/13/989086913.db2.gz VWVDSFUWFFQRLH-IFMALSPDSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841015 989086918 /nfs/dbraw/zinc/08/69/18/989086918.db2.gz VWVDSFUWFFQRLH-IFMALSPDSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841015 989086927 /nfs/dbraw/zinc/08/69/27/989086927.db2.gz VWVDSFUWFFQRLH-IFMALSPDSA-N 2 2 409.574 3.669 20 0 HHADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841015 989086934 /nfs/dbraw/zinc/08/69/34/989086934.db2.gz VWVDSFUWFFQRLH-IFMALSPDSA-N 2 2 409.574 3.669 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023153 989094237 /nfs/dbraw/zinc/09/42/37/989094237.db2.gz RGZQKBJDAJOABU-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023153 989094241 /nfs/dbraw/zinc/09/42/41/989094241.db2.gz RGZQKBJDAJOABU-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023153 989094249 /nfs/dbraw/zinc/09/42/49/989094249.db2.gz RGZQKBJDAJOABU-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023153 989094253 /nfs/dbraw/zinc/09/42/53/989094253.db2.gz RGZQKBJDAJOABU-JKSUJKDBSA-N 2 2 401.624 3.605 20 0 HHADLP COc1ccc(CN(C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845576 989096603 /nfs/dbraw/zinc/09/66/03/989096603.db2.gz GKKNDNPIOYMWPE-HSZRJFAPSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845576 989096614 /nfs/dbraw/zinc/09/66/14/989096614.db2.gz GKKNDNPIOYMWPE-HSZRJFAPSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845576 989096623 /nfs/dbraw/zinc/09/66/23/989096623.db2.gz GKKNDNPIOYMWPE-HSZRJFAPSA-N 2 2 421.585 3.640 20 0 HHADLP COc1ccc(CN(C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000464845576 989096627 /nfs/dbraw/zinc/09/66/27/989096627.db2.gz GKKNDNPIOYMWPE-HSZRJFAPSA-N 2 2 421.585 3.640 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000464949896 989244687 /nfs/dbraw/zinc/24/46/87/989244687.db2.gz OWHJIQDGDXCUBM-QHCPKHFHSA-N 2 2 416.585 3.915 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409128 989586820 /nfs/dbraw/zinc/58/68/20/989586820.db2.gz KPLZAJOXQXOMPX-PMACEKPBSA-N 2 2 407.558 3.683 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409128 989586825 /nfs/dbraw/zinc/58/68/25/989586825.db2.gz KPLZAJOXQXOMPX-PMACEKPBSA-N 2 2 407.558 3.683 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000465419231 989764808 /nfs/dbraw/zinc/76/48/08/989764808.db2.gz FGLBEXHGUBWRMM-HSZRJFAPSA-N 2 2 423.605 3.502 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465431469 989776845 /nfs/dbraw/zinc/77/68/45/989776845.db2.gz SOYVKWZJBZQNPZ-QHCPKHFHSA-N 2 2 421.589 3.604 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465431469 989776852 /nfs/dbraw/zinc/77/68/52/989776852.db2.gz SOYVKWZJBZQNPZ-QHCPKHFHSA-N 2 2 421.589 3.604 20 0 HHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465573180 989941336 /nfs/dbraw/zinc/94/13/36/989941336.db2.gz NWKDBXKZHDDZCN-HSZRJFAPSA-N 2 2 421.589 3.735 20 0 HHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000465573180 989941345 /nfs/dbraw/zinc/94/13/45/989941345.db2.gz NWKDBXKZHDDZCN-HSZRJFAPSA-N 2 2 421.589 3.735 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000465609695 989993360 /nfs/dbraw/zinc/99/33/60/989993360.db2.gz WASMLGMYCVYNQL-QGZVFWFLSA-N 2 2 424.536 3.599 20 0 HHADLP CC(C)[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465652128 990038624 /nfs/dbraw/zinc/03/86/24/990038624.db2.gz DVCFLDVLNTXABT-QFIPXVFZSA-N 2 2 400.611 3.676 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471965035 990130557 /nfs/dbraw/zinc/13/05/57/990130557.db2.gz QEZKOWMXTQBNGL-LEWJYISDSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000471965035 990130559 /nfs/dbraw/zinc/13/05/59/990130559.db2.gz QEZKOWMXTQBNGL-LEWJYISDSA-N 2 2 402.489 3.636 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000465806480 990188996 /nfs/dbraw/zinc/18/89/96/990188996.db2.gz DRSNNAFGGCZSBJ-UHFFFAOYSA-N 2 2 421.029 3.867 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000465872814 990987965 /nfs/dbraw/zinc/98/79/65/990987965.db2.gz HTFLBTXGJOOCGP-IBGZPJMESA-N 2 2 421.948 3.728 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000465872814 990987978 /nfs/dbraw/zinc/98/79/78/990987978.db2.gz HTFLBTXGJOOCGP-IBGZPJMESA-N 2 2 421.948 3.728 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000465898841 991026044 /nfs/dbraw/zinc/02/60/44/991026044.db2.gz RZFUITYNSLBRNY-QFIPXVFZSA-N 2 2 416.585 3.916 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000465907505 991036976 /nfs/dbraw/zinc/03/69/76/991036976.db2.gz SQLZPZHYFJNKSU-PMACEKPBSA-N 2 2 401.599 3.592 20 0 HHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000465951000 991090387 /nfs/dbraw/zinc/09/03/87/991090387.db2.gz IIXDVIYNVHXRQA-FQEVSTJZSA-N 2 2 408.537 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465960619 991104045 /nfs/dbraw/zinc/10/40/45/991104045.db2.gz OVVVTQNXCCNUGQ-OAQYLSRUSA-N 2 2 421.589 3.665 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000465960619 991104050 /nfs/dbraw/zinc/10/40/50/991104050.db2.gz OVVVTQNXCCNUGQ-OAQYLSRUSA-N 2 2 421.589 3.665 20 0 HHADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000465993760 991157003 /nfs/dbraw/zinc/15/70/03/991157003.db2.gz YHGLNSGTTYPJIT-FQEVSTJZSA-N 2 2 408.537 3.665 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000466037185 991207810 /nfs/dbraw/zinc/20/78/10/991207810.db2.gz IJHKMLFKXZZHIQ-SJORKVTESA-N 2 2 421.948 3.760 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000466037185 991207815 /nfs/dbraw/zinc/20/78/15/991207815.db2.gz IJHKMLFKXZZHIQ-SJORKVTESA-N 2 2 421.948 3.760 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000466037184 991208233 /nfs/dbraw/zinc/20/82/33/991208233.db2.gz IJHKMLFKXZZHIQ-IRXDYDNUSA-N 2 2 421.948 3.760 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000466037184 991208244 /nfs/dbraw/zinc/20/82/44/991208244.db2.gz IJHKMLFKXZZHIQ-IRXDYDNUSA-N 2 2 421.948 3.760 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000466076896 991251119 /nfs/dbraw/zinc/25/11/19/991251119.db2.gz KSFUGORKQYHDKF-FXAWDEMLSA-N 2 2 416.591 3.993 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000466076896 991251130 /nfs/dbraw/zinc/25/11/30/991251130.db2.gz KSFUGORKQYHDKF-FXAWDEMLSA-N 2 2 416.591 3.993 20 0 HHADLP C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466144515 991327447 /nfs/dbraw/zinc/32/74/47/991327447.db2.gz SCXGUBKXHNGPHV-KNQAVFIVSA-N 2 2 416.585 3.869 20 0 HHADLP CC[C@H](C)Oc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466149480 991332782 /nfs/dbraw/zinc/33/27/82/991332782.db2.gz WIMGUNBNACMBAF-IBGZPJMESA-N 2 2 402.583 3.936 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466155247 991341663 /nfs/dbraw/zinc/34/16/63/991341663.db2.gz VWPDEMNEIZEGAO-LJQANCHMSA-N 2 2 404.624 3.717 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000466244724 991478728 /nfs/dbraw/zinc/47/87/28/991478728.db2.gz HPECKHVHXJPSFX-UHFFFAOYSA-N 2 2 405.502 3.632 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000466380588 991665447 /nfs/dbraw/zinc/66/54/47/991665447.db2.gz OSFXBWUYNXTPPY-KRWDZBQOSA-N 2 2 415.607 3.801 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)n2)C1 ZINC000466380588 991665452 /nfs/dbraw/zinc/66/54/52/991665452.db2.gz OSFXBWUYNXTPPY-KRWDZBQOSA-N 2 2 415.607 3.801 20 0 HHADLP O=C1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CN1Cc1ccccc1C(F)(F)F ZINC000466457077 991747386 /nfs/dbraw/zinc/74/73/86/991747386.db2.gz IQHNPWRXMWAEFW-SFHVURJKSA-N 2 2 414.431 3.782 20 0 HHADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000466857894 992176523 /nfs/dbraw/zinc/17/65/23/992176523.db2.gz NDTBOCYOBZEJFW-RPWUZVMVSA-N 2 2 417.557 3.715 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000467158260 992475983 /nfs/dbraw/zinc/47/59/83/992475983.db2.gz LNHQCULBWMNWIM-HNNXBMFYSA-N 2 2 406.596 3.898 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000467158261 992476189 /nfs/dbraw/zinc/47/61/89/992476189.db2.gz LNHQCULBWMNWIM-OAHLLOKOSA-N 2 2 406.596 3.898 20 0 HHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000467374795 992691797 /nfs/dbraw/zinc/69/17/97/992691797.db2.gz AURQTRCHXMNIQH-GMAHTHKFSA-N 2 2 409.574 3.917 20 0 HHADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCSC1 ZINC000467409781 992714212 /nfs/dbraw/zinc/71/42/12/992714212.db2.gz AJQPSKPBXPLAQH-RBUKOAKNSA-N 2 2 413.425 3.944 20 0 HHADLP C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467412291 992716282 /nfs/dbraw/zinc/71/62/82/992716282.db2.gz HOTHWODGEKRRRR-MRXNPFEDSA-N 2 2 418.950 3.545 20 0 HHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000472125335 993177603 /nfs/dbraw/zinc/17/76/03/993177603.db2.gz BWKJCLGNMSUWNL-IBGZPJMESA-N 2 2 416.525 3.876 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267895 993290954 /nfs/dbraw/zinc/29/09/54/993290954.db2.gz KDESKEYJAQRKQN-ICSRJNTNSA-N 2 2 422.639 3.630 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267895 993290960 /nfs/dbraw/zinc/29/09/60/993290960.db2.gz KDESKEYJAQRKQN-ICSRJNTNSA-N 2 2 422.639 3.630 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296060 993310301 /nfs/dbraw/zinc/31/03/01/993310301.db2.gz TYVGRZJLVSWDSL-CABCVRRESA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472296060 993310305 /nfs/dbraw/zinc/31/03/05/993310305.db2.gz TYVGRZJLVSWDSL-CABCVRRESA-N 2 2 402.366 3.753 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000472320362 993331409 /nfs/dbraw/zinc/33/14/09/993331409.db2.gz ADJJQRXTQXTXOF-IFMALSPDSA-N 2 2 405.502 3.529 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000472320362 993331415 /nfs/dbraw/zinc/33/14/15/993331415.db2.gz ADJJQRXTQXTXOF-IFMALSPDSA-N 2 2 405.502 3.529 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1cccc(F)c1 ZINC000472348561 993351438 /nfs/dbraw/zinc/35/14/38/993351438.db2.gz JLISEBXAHINSDC-MHECFPHRSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1cccc(F)c1 ZINC000472348561 993351447 /nfs/dbraw/zinc/35/14/47/993351447.db2.gz JLISEBXAHINSDC-MHECFPHRSA-N 2 2 411.521 3.680 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(OC)c(NC(C)=O)c3)cc2)CC1 ZINC000480722372 993590778 /nfs/dbraw/zinc/59/07/78/993590778.db2.gz PKDDLLNAUOYVKQ-LJQANCHMSA-N 2 2 424.589 3.642 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769946 993635165 /nfs/dbraw/zinc/63/51/65/993635165.db2.gz YTODQMCRTNWKEE-ZWKOTPCHSA-N 2 2 404.580 3.624 20 0 HHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480775324 993640960 /nfs/dbraw/zinc/64/09/60/993640960.db2.gz BTGRMXZVPVFMRC-KRWDZBQOSA-N 2 2 401.576 3.829 20 0 HHADLP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480776559 993642453 /nfs/dbraw/zinc/64/24/53/993642453.db2.gz CLDHBBKXHORXKV-HXUWFJFHSA-N 2 2 421.511 3.618 20 0 HHADLP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1 ZINC000480807221 993678418 /nfs/dbraw/zinc/67/84/18/993678418.db2.gz SZVWEQKRVPWIKV-MRXNPFEDSA-N 2 2 421.511 3.975 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000481022843 993865810 /nfs/dbraw/zinc/86/58/10/993865810.db2.gz IIFKECPTRKUEFI-NQIIRXRSSA-N 2 2 407.624 3.506 20 0 HHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)on1 ZINC000481135372 993969531 /nfs/dbraw/zinc/96/95/31/993969531.db2.gz DVRMISMOEXUGBI-UHFFFAOYSA-N 2 2 422.573 3.961 20 0 HHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)on1 ZINC000481135372 993969536 /nfs/dbraw/zinc/96/95/36/993969536.db2.gz DVRMISMOEXUGBI-UHFFFAOYSA-N 2 2 422.573 3.961 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000473106563 994008061 /nfs/dbraw/zinc/00/80/61/994008061.db2.gz RAKLDEQGGWHNST-UHFFFAOYSA-N 2 2 415.409 3.593 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000473106563 994008071 /nfs/dbraw/zinc/00/80/71/994008071.db2.gz RAKLDEQGGWHNST-UHFFFAOYSA-N 2 2 415.409 3.593 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189783 994022546 /nfs/dbraw/zinc/02/25/46/994022546.db2.gz JLFUVTBQNYORIU-QAPCUYQASA-N 2 2 412.534 3.874 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189783 994022555 /nfs/dbraw/zinc/02/25/55/994022555.db2.gz JLFUVTBQNYORIU-QAPCUYQASA-N 2 2 412.534 3.874 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC(F)F)c1 ZINC000481196439 994030317 /nfs/dbraw/zinc/03/03/17/994030317.db2.gz ZCUDLGRCEWZCQJ-QGZVFWFLSA-N 2 2 406.473 3.850 20 0 HHADLP Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481309656 994127251 /nfs/dbraw/zinc/12/72/51/994127251.db2.gz IEJBNWVEEMLMGE-HXUWFJFHSA-N 2 2 417.347 3.895 20 0 HHADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccc1SC ZINC000481411158 994245014 /nfs/dbraw/zinc/24/50/14/994245014.db2.gz DGGYJBHELVXGER-GOSISDBHSA-N 2 2 416.587 3.979 20 0 HHADLP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481529946 994360900 /nfs/dbraw/zinc/36/09/00/994360900.db2.gz BBTDCBWMOFCMFY-HYBUGGRVSA-N 2 2 409.574 3.639 20 0 HHADLP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481529946 994360912 /nfs/dbraw/zinc/36/09/12/994360912.db2.gz BBTDCBWMOFCMFY-HYBUGGRVSA-N 2 2 409.574 3.639 20 0 HHADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919871 994792549 /nfs/dbraw/zinc/79/25/49/994792549.db2.gz JANJGFQYPQJAAI-GOSISDBHSA-N 2 2 418.950 3.675 20 0 HHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000473896290 994852653 /nfs/dbraw/zinc/85/26/53/994852653.db2.gz MGIHKNWHCWEAAE-HXUWFJFHSA-N 2 2 409.549 3.943 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(C)(C)c2ccc(Cl)cc2F)([NH+]2CCCCC2)CC1 ZINC000473897951 994854526 /nfs/dbraw/zinc/85/45/26/994854526.db2.gz UEUVZCWISKBUKR-UHFFFAOYSA-N 2 2 409.977 3.823 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006730 994910073 /nfs/dbraw/zinc/91/00/73/994910073.db2.gz HXXUGFCMSIXWAI-FUHWJXTLSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006730 994910090 /nfs/dbraw/zinc/91/00/90/994910090.db2.gz HXXUGFCMSIXWAI-FUHWJXTLSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006730 994910107 /nfs/dbraw/zinc/91/01/07/994910107.db2.gz HXXUGFCMSIXWAI-FUHWJXTLSA-N 2 2 416.518 3.568 20 0 HHADLP COC(=O)c1ccc(COc2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2OC)o1 ZINC000482006730 994910112 /nfs/dbraw/zinc/91/01/12/994910112.db2.gz HXXUGFCMSIXWAI-FUHWJXTLSA-N 2 2 416.518 3.568 20 0 HHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482014981 994923388 /nfs/dbraw/zinc/92/33/88/994923388.db2.gz KSAUDKUQCNGQPM-DAYGRLMNSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482014981 994923400 /nfs/dbraw/zinc/92/34/00/994923400.db2.gz KSAUDKUQCNGQPM-DAYGRLMNSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000473948295 994925840 /nfs/dbraw/zinc/92/58/40/994925840.db2.gz HPVYJGLIVPPZFE-PMACEKPBSA-N 2 2 417.557 3.828 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473951129 994928916 /nfs/dbraw/zinc/92/89/16/994928916.db2.gz RFUYSQPJKMNUIO-NFBKMPQASA-N 2 2 421.589 3.917 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473951129 994928926 /nfs/dbraw/zinc/92/89/26/994928926.db2.gz RFUYSQPJKMNUIO-NFBKMPQASA-N 2 2 421.589 3.917 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000482022551 994936670 /nfs/dbraw/zinc/93/66/70/994936670.db2.gz YDXFAYMAMSILLV-ISKFKSNPSA-N 2 2 416.525 3.897 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000482022551 994936679 /nfs/dbraw/zinc/93/66/79/994936679.db2.gz YDXFAYMAMSILLV-ISKFKSNPSA-N 2 2 416.525 3.897 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023480 994937928 /nfs/dbraw/zinc/93/79/28/994937928.db2.gz AGWFFDOBEULSJY-ZTFGCOKTSA-N 2 2 408.384 3.530 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023480 994937936 /nfs/dbraw/zinc/93/79/36/994937936.db2.gz AGWFFDOBEULSJY-ZTFGCOKTSA-N 2 2 408.384 3.530 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030907 994946542 /nfs/dbraw/zinc/94/65/42/994946542.db2.gz HZTBTCBJMZYBCN-DHIUTWEWSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030907 994946556 /nfs/dbraw/zinc/94/65/56/994946556.db2.gz HZTBTCBJMZYBCN-DHIUTWEWSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030917 994946716 /nfs/dbraw/zinc/94/67/16/994946716.db2.gz HZTBTCBJMZYBCN-XZOQPEGZSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000482030917 994946724 /nfs/dbraw/zinc/94/67/24/994946724.db2.gz HZTBTCBJMZYBCN-XZOQPEGZSA-N 2 2 415.528 3.781 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048953 994972032 /nfs/dbraw/zinc/97/20/32/994972032.db2.gz OQMWUMJWYKQZJE-UYAOXDASSA-N 2 2 412.603 3.720 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048953 994972040 /nfs/dbraw/zinc/97/20/40/994972040.db2.gz OQMWUMJWYKQZJE-UYAOXDASSA-N 2 2 412.603 3.720 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130141 995079509 /nfs/dbraw/zinc/07/95/09/995079509.db2.gz UGVLESGZLDWXNT-HOTGVXAUSA-N 2 2 410.580 3.854 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482130141 995079525 /nfs/dbraw/zinc/07/95/25/995079525.db2.gz UGVLESGZLDWXNT-HOTGVXAUSA-N 2 2 410.580 3.854 20 0 HHADLP CC[C@@H](Oc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000482326216 995304395 /nfs/dbraw/zinc/30/43/95/995304395.db2.gz NYZIYMFJJPCAAH-LJQANCHMSA-N 2 2 407.986 3.564 20 0 HHADLP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000474329733 995312019 /nfs/dbraw/zinc/31/20/19/995312019.db2.gz MTRXUZOABXHOIY-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000474329733 995312027 /nfs/dbraw/zinc/31/20/27/995312027.db2.gz MTRXUZOABXHOIY-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642049 995636761 /nfs/dbraw/zinc/63/67/61/995636761.db2.gz LVWVCCJUPBZSNW-IAQYHMDHSA-N 2 2 411.390 3.715 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642049 995636766 /nfs/dbraw/zinc/63/67/66/995636766.db2.gz LVWVCCJUPBZSNW-IAQYHMDHSA-N 2 2 411.390 3.715 20 0 HHADLP CC(C)Cc1ccc([C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)[NH+](C)C)cc1 ZINC000482689702 995681161 /nfs/dbraw/zinc/68/11/61/995681161.db2.gz GGLVXPRTLBCTNI-QHCPKHFHSA-N 2 2 423.605 3.851 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704740 /nfs/dbraw/zinc/70/47/40/995704740.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704746 /nfs/dbraw/zinc/70/47/46/995704746.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@@H](NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704754 /nfs/dbraw/zinc/70/47/54/995704754.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@@H](NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000482718473 995704763 /nfs/dbraw/zinc/70/47/63/995704763.db2.gz DEJNONSBDYGESA-FGZHOGPDSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704932 /nfs/dbraw/zinc/70/49/32/995704932.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H](NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704941 /nfs/dbraw/zinc/70/49/41/995704941.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@@H](NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704947 /nfs/dbraw/zinc/70/49/47/995704947.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 2 409.659 3.527 20 0 HHADLP CCOCCC[NH+]1CC[C@@H](NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000482718472 995704956 /nfs/dbraw/zinc/70/49/56/995704956.db2.gz DEJNONSBDYGESA-FCHUYYIVSA-N 2 2 409.659 3.527 20 0 HHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000482737257 995716104 /nfs/dbraw/zinc/71/61/04/995716104.db2.gz AHYQGSWUEGHQPJ-UHFFFAOYSA-N 2 2 411.594 3.818 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1F ZINC000474805446 995717288 /nfs/dbraw/zinc/71/72/88/995717288.db2.gz UDELYCDOGBTHIH-JOCHJYFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1F ZINC000474805446 995717298 /nfs/dbraw/zinc/71/72/98/995717298.db2.gz UDELYCDOGBTHIH-JOCHJYFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482883978 995816280 /nfs/dbraw/zinc/81/62/80/995816280.db2.gz DIXFZHPOETVQFZ-UONOGXRCSA-N 2 2 408.436 3.633 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000483137112 995997039 /nfs/dbraw/zinc/99/70/39/995997039.db2.gz KLCWOCDUFRBELJ-GOSISDBHSA-N 2 2 412.559 3.754 20 0 HHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000483221240 996045123 /nfs/dbraw/zinc/04/51/23/996045123.db2.gz RCIKZZOQAAMUDQ-UHFFFAOYSA-N 2 2 409.921 3.831 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269924 996072893 /nfs/dbraw/zinc/07/28/93/996072893.db2.gz OILFJOSHFKUXAZ-BJKOFHAPSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269924 996072898 /nfs/dbraw/zinc/07/28/98/996072898.db2.gz OILFJOSHFKUXAZ-BJKOFHAPSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000483269924 996072903 /nfs/dbraw/zinc/07/29/03/996072903.db2.gz OILFJOSHFKUXAZ-BJKOFHAPSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000483269924 996072913 /nfs/dbraw/zinc/07/29/13/996072913.db2.gz OILFJOSHFKUXAZ-BJKOFHAPSA-N 2 2 408.590 3.651 20 0 HHADLP Cc1nc(COc2ccc(C[NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)cc2)no1 ZINC000475342853 996079708 /nfs/dbraw/zinc/07/97/08/996079708.db2.gz LZKIAOUKBLPLKH-UHFFFAOYSA-N 2 2 424.467 3.852 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)([NH+]2CCCCC2)CC1 ZINC000483391466 996146776 /nfs/dbraw/zinc/14/67/76/996146776.db2.gz DQTTXOZFSOWDIV-PMACEKPBSA-N 2 2 416.585 3.711 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000483479891 996206768 /nfs/dbraw/zinc/20/67/68/996206768.db2.gz FRGRLAAIFSMRBX-RTBURBONSA-N 2 2 414.594 3.824 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(OC3CCC3)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000483532376 996236088 /nfs/dbraw/zinc/23/60/88/996236088.db2.gz NXEYPTKMNBBIPG-UHFFFAOYSA-N 2 2 418.557 3.829 20 0 HHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475608304 996244803 /nfs/dbraw/zinc/24/48/03/996244803.db2.gz PMUUVVPGRCXEFM-UHFFFAOYSA-N 2 2 400.473 3.733 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000483625157 996293703 /nfs/dbraw/zinc/29/37/03/996293703.db2.gz YTNIXMTXNVKWJC-HXUWFJFHSA-N 2 2 401.599 3.594 20 0 HHADLP COc1cc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706667 996340155 /nfs/dbraw/zinc/34/01/55/996340155.db2.gz DDZNTRQKUJGBFG-ROUUACIJSA-N 2 2 404.576 3.660 20 0 HHADLP COc1cc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706667 996340161 /nfs/dbraw/zinc/34/01/61/996340161.db2.gz DDZNTRQKUJGBFG-ROUUACIJSA-N 2 2 404.576 3.660 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483766363 996373757 /nfs/dbraw/zinc/37/37/57/996373757.db2.gz ZKXBSTVKGUGNBS-GPJHCHHRSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483766363 996373758 /nfs/dbraw/zinc/37/37/58/996373758.db2.gz ZKXBSTVKGUGNBS-GPJHCHHRSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011777 996540104 /nfs/dbraw/zinc/54/01/04/996540104.db2.gz OBKGPYXGUJWVDS-UYAOXDASSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011777 996540108 /nfs/dbraw/zinc/54/01/08/996540108.db2.gz OBKGPYXGUJWVDS-UYAOXDASSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011777 996540110 /nfs/dbraw/zinc/54/01/10/996540110.db2.gz OBKGPYXGUJWVDS-UYAOXDASSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011777 996540114 /nfs/dbraw/zinc/54/01/14/996540114.db2.gz OBKGPYXGUJWVDS-UYAOXDASSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011770 996540141 /nfs/dbraw/zinc/54/01/41/996540141.db2.gz OBKGPYXGUJWVDS-AZUAARDMSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC1)C2 ZINC000476011770 996540145 /nfs/dbraw/zinc/54/01/45/996540145.db2.gz OBKGPYXGUJWVDS-AZUAARDMSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011770 996540147 /nfs/dbraw/zinc/54/01/47/996540147.db2.gz OBKGPYXGUJWVDS-AZUAARDMSA-N 2 2 409.578 3.546 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC1)CC2 ZINC000476011770 996540152 /nfs/dbraw/zinc/54/01/52/996540152.db2.gz OBKGPYXGUJWVDS-AZUAARDMSA-N 2 2 409.578 3.546 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000476052405 996569096 /nfs/dbraw/zinc/56/90/96/996569096.db2.gz RVKFXCICAOQNML-NVXWUHKLSA-N 2 2 404.505 3.736 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000476052405 996569101 /nfs/dbraw/zinc/56/91/01/996569101.db2.gz RVKFXCICAOQNML-NVXWUHKLSA-N 2 2 404.505 3.736 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141196 996594714 /nfs/dbraw/zinc/59/47/14/996594714.db2.gz WIJYRXKOJLBMQD-AOMKIAJQSA-N 2 2 404.938 3.645 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141196 996594719 /nfs/dbraw/zinc/59/47/19/996594719.db2.gz WIJYRXKOJLBMQD-AOMKIAJQSA-N 2 2 404.938 3.645 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000484166333 996611544 /nfs/dbraw/zinc/61/15/44/996611544.db2.gz VKUIATBBTNPDPW-NHCUHLMSSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166333 996611550 /nfs/dbraw/zinc/61/15/50/996611550.db2.gz VKUIATBBTNPDPW-NHCUHLMSSA-N 2 2 419.338 3.802 20 0 HHADLP COC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170007 996613774 /nfs/dbraw/zinc/61/37/74/996613774.db2.gz CWWLKSPERWXKSD-SFTDATJTSA-N 2 2 408.464 3.620 20 0 HHADLP COC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000484170007 996613777 /nfs/dbraw/zinc/61/37/77/996613777.db2.gz CWWLKSPERWXKSD-SFTDATJTSA-N 2 2 408.464 3.620 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3CCCc4c(O)cccc43)n2)CC1 ZINC000484289189 996681168 /nfs/dbraw/zinc/68/11/68/996681168.db2.gz BCMNSMXQJHXNSD-IBGZPJMESA-N 2 2 414.575 3.686 20 0 HHADLP Oc1cccc2c1CCC[C@H]2[NH2+]CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)COC1 ZINC000484300825 996689098 /nfs/dbraw/zinc/68/90/98/996689098.db2.gz SRMBBIMWQMCVIP-SZPZYZBQSA-N 2 2 408.542 3.749 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000476242570 996701153 /nfs/dbraw/zinc/70/11/53/996701153.db2.gz AUQLNMRVGQBUKD-YWZLYKJASA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000476242570 996701156 /nfs/dbraw/zinc/70/11/56/996701156.db2.gz AUQLNMRVGQBUKD-YWZLYKJASA-N 2 2 412.484 3.650 20 0 HHADLP CN(C(=O)[C@H]1CCCc2c(O)cccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476333661 996762425 /nfs/dbraw/zinc/76/24/25/996762425.db2.gz DJPXKQPIMQBGDQ-YTFSRNRJSA-N 2 2 413.606 3.608 20 0 HHADLP CN(C(=O)[C@H]1CCCc2c(O)cccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476333661 996762432 /nfs/dbraw/zinc/76/24/32/996762432.db2.gz DJPXKQPIMQBGDQ-YTFSRNRJSA-N 2 2 413.606 3.608 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000476504167 996992256 /nfs/dbraw/zinc/99/22/56/996992256.db2.gz KRBBWSGYPYYCGJ-UHFFFAOYSA-N 2 2 400.473 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000476504167 996992272 /nfs/dbraw/zinc/99/22/72/996992272.db2.gz KRBBWSGYPYYCGJ-UHFFFAOYSA-N 2 2 400.473 3.650 20 0 HHADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000484724549 997065836 /nfs/dbraw/zinc/06/58/36/997065836.db2.gz HNRJELXKBPHDTE-OAQYLSRUSA-N 2 2 417.557 3.692 20 0 HHADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050187 997689312 /nfs/dbraw/zinc/68/93/12/997689312.db2.gz QRMKUTNRLVNFIR-RBBKRZOGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050187 997689324 /nfs/dbraw/zinc/68/93/24/997689324.db2.gz QRMKUTNRLVNFIR-RBBKRZOGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050187 997689334 /nfs/dbraw/zinc/68/93/34/997689334.db2.gz QRMKUTNRLVNFIR-RBBKRZOGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000477050187 997689345 /nfs/dbraw/zinc/68/93/45/997689345.db2.gz QRMKUTNRLVNFIR-RBBKRZOGSA-N 2 2 423.523 3.775 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000485311082 997720926 /nfs/dbraw/zinc/72/09/26/997720926.db2.gz WSZQPDRNZZVFQU-AHRSYUTCSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000485311082 997720934 /nfs/dbraw/zinc/72/09/34/997720934.db2.gz WSZQPDRNZZVFQU-AHRSYUTCSA-N 2 2 422.976 3.742 20 0 HHADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251372 997926670 /nfs/dbraw/zinc/92/66/70/997926670.db2.gz PNMJBASLLMLYBZ-FXAWDEMLSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251372 997926680 /nfs/dbraw/zinc/92/66/80/997926680.db2.gz PNMJBASLLMLYBZ-FXAWDEMLSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251372 997926692 /nfs/dbraw/zinc/92/66/92/997926692.db2.gz PNMJBASLLMLYBZ-FXAWDEMLSA-N 2 2 424.992 3.863 20 0 HHADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000477251372 997926698 /nfs/dbraw/zinc/92/66/98/997926698.db2.gz PNMJBASLLMLYBZ-FXAWDEMLSA-N 2 2 424.992 3.863 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccccc2)CC1 ZINC000485615153 998062582 /nfs/dbraw/zinc/06/25/82/998062582.db2.gz PSBPZGQMDDILSQ-FYYLOGMGSA-N 2 2 423.605 3.857 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000477436970 998134262 /nfs/dbraw/zinc/13/42/62/998134262.db2.gz NVEJPDKXFGAJPR-QFIPXVFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000477436970 998134265 /nfs/dbraw/zinc/13/42/65/998134265.db2.gz NVEJPDKXFGAJPR-QFIPXVFZSA-N 2 2 401.501 3.697 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000485833921 998299322 /nfs/dbraw/zinc/29/93/22/998299322.db2.gz UXHVMSJYSRCJNR-QZTJIDSGSA-N 2 2 408.571 3.852 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000477642939 998360206 /nfs/dbraw/zinc/36/02/06/998360206.db2.gz XPBGPMWRPPJMSF-VWLOTQADSA-N 2 2 421.585 3.675 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000477642939 998360218 /nfs/dbraw/zinc/36/02/18/998360218.db2.gz XPBGPMWRPPJMSF-VWLOTQADSA-N 2 2 421.585 3.675 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000485968937 998410563 /nfs/dbraw/zinc/41/05/63/998410563.db2.gz SVYKTJFHJFYIMY-VQIMIIECSA-N 2 2 408.468 3.664 20 0 HHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486214303 998652448 /nfs/dbraw/zinc/65/24/48/998652448.db2.gz JZIFCMNABRZLKV-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486214303 998652451 /nfs/dbraw/zinc/65/24/51/998652451.db2.gz JZIFCMNABRZLKV-NFBKMPQASA-N 2 2 421.589 3.782 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046266 998733043 /nfs/dbraw/zinc/73/30/43/998733043.db2.gz LQVJMBBANUGTEC-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046266 998733045 /nfs/dbraw/zinc/73/30/45/998733045.db2.gz LQVJMBBANUGTEC-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046266 998733046 /nfs/dbraw/zinc/73/30/46/998733046.db2.gz LQVJMBBANUGTEC-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046266 998733048 /nfs/dbraw/zinc/73/30/48/998733048.db2.gz LQVJMBBANUGTEC-FPOVZHCZSA-N 2 2 411.590 3.859 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000478254800 998848242 /nfs/dbraw/zinc/84/82/42/998848242.db2.gz JXFXNTZRGMIOMH-PKTZIBPZSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000478254800 998848245 /nfs/dbraw/zinc/84/82/45/998848245.db2.gz JXFXNTZRGMIOMH-PKTZIBPZSA-N 2 2 410.558 3.615 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000486693028 998894803 /nfs/dbraw/zinc/89/48/03/998894803.db2.gz CCPGCRJRGHVUNI-HKUYNNGSSA-N 2 2 407.587 3.950 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000486693028 998894807 /nfs/dbraw/zinc/89/48/07/998894807.db2.gz CCPGCRJRGHVUNI-HKUYNNGSSA-N 2 2 407.587 3.950 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000478376572 998925818 /nfs/dbraw/zinc/92/58/18/998925818.db2.gz CYPOMXDPLLOXEA-INIZCTEOSA-N 2 2 410.965 3.790 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486816143 998952579 /nfs/dbraw/zinc/95/25/79/998952579.db2.gz BDZZYUBHMVIRDV-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486816143 998952582 /nfs/dbraw/zinc/95/25/82/998952582.db2.gz BDZZYUBHMVIRDV-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP COc1c(Br)cccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000478618239 999048695 /nfs/dbraw/zinc/04/86/95/999048695.db2.gz IJTUHZGLTYFJAL-INIZCTEOSA-N 2 2 405.340 3.605 20 0 HHADLP COc1c(Br)cccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000478618241 999048762 /nfs/dbraw/zinc/04/87/62/999048762.db2.gz IJTUHZGLTYFJAL-MRXNPFEDSA-N 2 2 405.340 3.605 20 0 HHADLP C[NH+](C)CCn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000487572136 999215537 /nfs/dbraw/zinc/21/55/37/999215537.db2.gz ZQIHNIPSBCTGGN-UHFFFAOYSA-N 2 2 400.486 3.550 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000487648055 999241346 /nfs/dbraw/zinc/24/13/46/999241346.db2.gz PHUUNNWQNSXHEH-UHFFFAOYSA-N 2 2 412.405 3.900 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000487648055 999241348 /nfs/dbraw/zinc/24/13/48/999241348.db2.gz PHUUNNWQNSXHEH-UHFFFAOYSA-N 2 2 412.405 3.900 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3CCCc3ccccc3)CC2)CC1 ZINC000487659862 999245407 /nfs/dbraw/zinc/24/54/07/999245407.db2.gz CICCOGQMMMAHMI-XMMPIXPASA-N 2 2 412.622 3.742 20 0 HHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479341839 999394343 /nfs/dbraw/zinc/39/43/43/999394343.db2.gz GDRVSFNDBPPNGQ-LSTHTHJFSA-N 2 2 422.976 3.884 20 0 HHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479375981 999411097 /nfs/dbraw/zinc/41/10/97/999411097.db2.gz DKUDXSKYRZRGEA-MBOZVWFJSA-N 2 2 422.976 3.884 20 0 HHADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2)CC1 ZINC000488647332 999556960 /nfs/dbraw/zinc/55/69/60/999556960.db2.gz ULKWPWJPANQRKX-UHFFFAOYSA-N 2 2 407.493 3.794 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787691 999592830 /nfs/dbraw/zinc/59/28/30/999592830.db2.gz WRLJDCAOTDMETB-CZAAIQMYSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787691 999592833 /nfs/dbraw/zinc/59/28/33/999592833.db2.gz WRLJDCAOTDMETB-CZAAIQMYSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787691 999592842 /nfs/dbraw/zinc/59/28/42/999592842.db2.gz WRLJDCAOTDMETB-CZAAIQMYSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479787691 999592847 /nfs/dbraw/zinc/59/28/47/999592847.db2.gz WRLJDCAOTDMETB-CZAAIQMYSA-N 2 2 408.537 3.664 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488789021 999608287 /nfs/dbraw/zinc/60/82/87/999608287.db2.gz UFQGJVXEYUAEIQ-VXKWHMMOSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488789021 999608288 /nfs/dbraw/zinc/60/82/88/999608288.db2.gz UFQGJVXEYUAEIQ-VXKWHMMOSA-N 2 2 406.014 3.987 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126954 999707081 /nfs/dbraw/zinc/70/70/81/999707081.db2.gz JFAMERWVFOYBPO-NHCUHLMSSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126954 999707082 /nfs/dbraw/zinc/70/70/82/999707082.db2.gz JFAMERWVFOYBPO-NHCUHLMSSA-N 2 2 407.986 3.758 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201829 999721321 /nfs/dbraw/zinc/72/13/21/999721321.db2.gz YPSWWHQYZVDLAF-SQGPQFPESA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201829 999721324 /nfs/dbraw/zinc/72/13/24/999721324.db2.gz YPSWWHQYZVDLAF-SQGPQFPESA-N 2 2 420.479 3.664 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000489366417 999752748 /nfs/dbraw/zinc/75/27/48/999752748.db2.gz UOFWTLDZUITWCS-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000489366417 999752753 /nfs/dbraw/zinc/75/27/53/999752753.db2.gz UOFWTLDZUITWCS-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247648 999755732 /nfs/dbraw/zinc/75/57/32/999755732.db2.gz MTXCKWHIALSOME-FUCAVZNHSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247648 999755735 /nfs/dbraw/zinc/75/57/35/999755735.db2.gz MTXCKWHIALSOME-FUCAVZNHSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[NH+]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247648 999755738 /nfs/dbraw/zinc/75/57/38/999755738.db2.gz MTXCKWHIALSOME-FUCAVZNHSA-N 3 2 417.638 3.522 20 0 HHADLP CCOCCC[NH+]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000480247648 999755740 /nfs/dbraw/zinc/75/57/40/999755740.db2.gz MTXCKWHIALSOME-FUCAVZNHSA-N 3 2 417.638 3.522 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000489396109 999758224 /nfs/dbraw/zinc/75/82/24/999758224.db2.gz UFLFDYBMMLHSJZ-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000489396109 999758226 /nfs/dbraw/zinc/75/82/26/999758226.db2.gz UFLFDYBMMLHSJZ-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396109 999758227 /nfs/dbraw/zinc/75/82/27/999758227.db2.gz UFLFDYBMMLHSJZ-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3ccccc3C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396109 999758228 /nfs/dbraw/zinc/75/82/28/999758228.db2.gz UFLFDYBMMLHSJZ-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000480605583 999838956 /nfs/dbraw/zinc/83/89/56/999838956.db2.gz WQGFMTBQPOMFPY-MRXNPFEDSA-N 2 2 403.473 3.526 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC000480613182 999841261 /nfs/dbraw/zinc/84/12/61/999841261.db2.gz MOUAEJFUOVPCSK-AWEZNQCLSA-N 2 2 422.392 3.749 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490248661 999921289 /nfs/dbraw/zinc/92/12/89/999921289.db2.gz SRVVQAQYXCCELW-PMACEKPBSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490248661 999921291 /nfs/dbraw/zinc/92/12/91/999921291.db2.gz SRVVQAQYXCCELW-PMACEKPBSA-N 2 2 422.545 3.545 20 0 HHADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396403 999950707 /nfs/dbraw/zinc/95/07/07/999950707.db2.gz GDROVSJNKPGUPG-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396403 999950709 /nfs/dbraw/zinc/95/07/09/999950709.db2.gz GDROVSJNKPGUPG-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(C)c1 ZINC000491357780 1000068070 /nfs/dbraw/zinc/06/80/70/1000068070.db2.gz BROLDCQRYOGHJU-OAQYLSRUSA-N 2 2 421.549 3.526 20 0 HHADLP CC(C)[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000492018151 1000105030 /nfs/dbraw/zinc/10/50/30/1000105030.db2.gz CWLLKFLKRWSGNM-QFIPXVFZSA-N 2 2 418.545 3.531 20 0 HHADLP CC(C)[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[N@H+]1CCc2ccccc2C1 ZINC000492018151 1000105031 /nfs/dbraw/zinc/10/50/31/1000105031.db2.gz CWLLKFLKRWSGNM-QFIPXVFZSA-N 2 2 418.545 3.531 20 0 HHADLP CCC[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000492555704 1000132192 /nfs/dbraw/zinc/13/21/92/1000132192.db2.gz BWBMUMUTVAFFAR-QFIPXVFZSA-N 2 2 418.545 3.845 20 0 HHADLP CCC[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000492555704 1000132193 /nfs/dbraw/zinc/13/21/93/1000132193.db2.gz BWBMUMUTVAFFAR-QFIPXVFZSA-N 2 2 418.545 3.845 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c2ccccc2C1 ZINC000493276451 1000166606 /nfs/dbraw/zinc/16/66/06/1000166606.db2.gz JQUPHMUNYIKBNU-CPJSRVTESA-N 2 2 421.585 3.970 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916713 1000212427 /nfs/dbraw/zinc/21/24/27/1000212427.db2.gz MLAVKXKQGXXIDU-IRXDYDNUSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916713 1000212431 /nfs/dbraw/zinc/21/24/31/1000212431.db2.gz MLAVKXKQGXXIDU-IRXDYDNUSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916713 1000212437 /nfs/dbraw/zinc/21/24/37/1000212437.db2.gz MLAVKXKQGXXIDU-IRXDYDNUSA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2)C1 ZINC000493916713 1000212441 /nfs/dbraw/zinc/21/24/41/1000212441.db2.gz MLAVKXKQGXXIDU-IRXDYDNUSA-N 2 2 405.612 3.713 20 0 HHADLP CC(C)(CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504730019 1000344722 /nfs/dbraw/zinc/34/47/22/1000344722.db2.gz IEKWHQSRIYRLQR-UHFFFAOYSA-N 2 2 421.589 3.708 20 0 HHADLP CC(C)(CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000504730019 1000344729 /nfs/dbraw/zinc/34/47/29/1000344729.db2.gz IEKWHQSRIYRLQR-UHFFFAOYSA-N 2 2 421.589 3.708 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504904453 1000438816 /nfs/dbraw/zinc/43/88/16/1000438816.db2.gz WILGZJCCRHSPOR-QFIPXVFZSA-N 2 2 407.562 3.536 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504904453 1000438822 /nfs/dbraw/zinc/43/88/22/1000438822.db2.gz WILGZJCCRHSPOR-QFIPXVFZSA-N 2 2 407.562 3.536 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494422719 1000484768 /nfs/dbraw/zinc/48/47/68/1000484768.db2.gz CDRQQGGEBTWHRI-GFCCVEGCSA-N 2 2 415.129 3.521 20 0 HHADLP C[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447688 1000497495 /nfs/dbraw/zinc/49/74/95/1000497495.db2.gz BSHVQQPPUGOEEI-GOTSBHOMSA-N 2 2 421.520 3.682 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000494447688 1000497501 /nfs/dbraw/zinc/49/75/01/1000497501.db2.gz BSHVQQPPUGOEEI-GOTSBHOMSA-N 2 2 421.520 3.682 20 0 HHADLP CCCc1nc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000494578252 1000562236 /nfs/dbraw/zinc/56/22/36/1000562236.db2.gz GTIFDHRWSGIGIN-UHFFFAOYSA-N 2 2 414.619 3.556 20 0 HHADLP CCCc1nc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000494578252 1000562239 /nfs/dbraw/zinc/56/22/39/1000562239.db2.gz GTIFDHRWSGIGIN-UHFFFAOYSA-N 2 2 414.619 3.556 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000505325619 1000702952 /nfs/dbraw/zinc/70/29/52/1000702952.db2.gz JDBMQZXCBZHFLQ-DUXKGJEZSA-N 2 2 412.965 3.761 20 0 HHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1Br ZINC000494878561 1000709197 /nfs/dbraw/zinc/70/91/97/1000709197.db2.gz MFYSXQNLYJACOV-UHFFFAOYSA-N 2 2 423.399 3.746 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000505493816 1000819820 /nfs/dbraw/zinc/81/98/20/1000819820.db2.gz JVWQOLWRWRRIGY-HXUWFJFHSA-N 2 2 407.558 3.810 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518153 1000859373 /nfs/dbraw/zinc/85/93/73/1000859373.db2.gz ZYNYZWXOAYPQCR-DFIYOIEZSA-N 2 2 421.585 3.645 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC[NH2+]2)cc1 ZINC000505518153 1000859401 /nfs/dbraw/zinc/85/94/01/1000859401.db2.gz ZYNYZWXOAYPQCR-DFIYOIEZSA-N 2 2 421.585 3.645 20 0 HHADLP COCC[N@H+](C)CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000505570143 1000910813 /nfs/dbraw/zinc/91/08/13/1000910813.db2.gz FINZUNPBAAUKNH-JOCHJYFZSA-N 2 2 416.529 3.937 20 0 HHADLP COCC[N@@H+](C)CC[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000505570143 1000910816 /nfs/dbraw/zinc/91/08/16/1000910816.db2.gz FINZUNPBAAUKNH-JOCHJYFZSA-N 2 2 416.529 3.937 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1Br ZINC000495622875 1001053995 /nfs/dbraw/zinc/05/39/95/1001053995.db2.gz GKDULVFGSGOWSP-INIZCTEOSA-N 2 2 416.363 3.688 20 0 HHADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017584 1001165150 /nfs/dbraw/zinc/16/51/50/1001165150.db2.gz NCUSWXGTBUZCQH-SFHVURJKSA-N 2 2 405.608 3.560 20 0 HHADLP Clc1cccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)c1 ZINC000506038336 1001181853 /nfs/dbraw/zinc/18/18/53/1001181853.db2.gz ZVNVSYNBGAWNCQ-UHFFFAOYSA-N 2 2 404.942 3.714 20 0 HHADLP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506042382 1001185659 /nfs/dbraw/zinc/18/56/59/1001185659.db2.gz SERBBYFRVOAOKQ-UHFFFAOYSA-N 2 2 401.595 3.574 20 0 HHADLP CN(C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496650949 1001210422 /nfs/dbraw/zinc/21/04/22/1001210422.db2.gz MTNJDKKBLXFUGM-GURQWTFNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496650949 1001210430 /nfs/dbraw/zinc/21/04/30/1001210430.db2.gz MTNJDKKBLXFUGM-GURQWTFNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496650949 1001210436 /nfs/dbraw/zinc/21/04/36/1001210436.db2.gz MTNJDKKBLXFUGM-GURQWTFNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496650949 1001210442 /nfs/dbraw/zinc/21/04/42/1001210442.db2.gz MTNJDKKBLXFUGM-GURQWTFNSA-N 2 2 422.976 3.710 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(C(F)F)ccc3Cl)CC2)CC1 ZINC000497182310 1001278775 /nfs/dbraw/zinc/27/87/75/1001278775.db2.gz QXUHVMWPFKYEOG-UHFFFAOYSA-N 2 2 400.901 3.958 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000506356219 1001374895 /nfs/dbraw/zinc/37/48/95/1001374895.db2.gz MEQJBWCTPAUHSK-VAMGGRTRSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000506356219 1001374898 /nfs/dbraw/zinc/37/48/98/1001374898.db2.gz MEQJBWCTPAUHSK-VAMGGRTRSA-N 2 2 416.610 3.928 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468591 1001383011 /nfs/dbraw/zinc/38/30/11/1001383011.db2.gz GVZVETDLFBESMY-OIBXWCBGSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468591 1001383016 /nfs/dbraw/zinc/38/30/16/1001383016.db2.gz GVZVETDLFBESMY-OIBXWCBGSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468591 1001383018 /nfs/dbraw/zinc/38/30/18/1001383018.db2.gz GVZVETDLFBESMY-OIBXWCBGSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497468591 1001383023 /nfs/dbraw/zinc/38/30/23/1001383023.db2.gz GVZVETDLFBESMY-OIBXWCBGSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468583 1001383154 /nfs/dbraw/zinc/38/31/54/1001383154.db2.gz GVZVETDLFBESMY-AJSBUHFISA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468583 1001383160 /nfs/dbraw/zinc/38/31/60/1001383160.db2.gz GVZVETDLFBESMY-AJSBUHFISA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468583 1001383162 /nfs/dbraw/zinc/38/31/62/1001383162.db2.gz GVZVETDLFBESMY-AJSBUHFISA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468583 1001383165 /nfs/dbraw/zinc/38/31/65/1001383165.db2.gz GVZVETDLFBESMY-AJSBUHFISA-N 2 2 413.512 3.738 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](CC4CCCC4)CC3)cn2c1 ZINC000497612626 1001458641 /nfs/dbraw/zinc/45/86/41/1001458641.db2.gz TUBPTDHZMJKJDM-UHFFFAOYSA-N 2 2 400.592 3.647 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497643575 1001470072 /nfs/dbraw/zinc/47/00/72/1001470072.db2.gz RQEQIWMFYMPMPX-NQERJWCQSA-N 2 2 419.520 3.629 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497643575 1001470075 /nfs/dbraw/zinc/47/00/75/1001470075.db2.gz RQEQIWMFYMPMPX-NQERJWCQSA-N 2 2 419.520 3.629 20 0 HHADLP O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506888483 1001581528 /nfs/dbraw/zinc/58/15/28/1001581528.db2.gz GUCZNVXMYWCMDN-UHFFFAOYSA-N 2 2 413.562 3.978 20 0 HHADLP O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506888483 1001581529 /nfs/dbraw/zinc/58/15/29/1001581529.db2.gz GUCZNVXMYWCMDN-UHFFFAOYSA-N 2 2 413.562 3.978 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928680 1001598723 /nfs/dbraw/zinc/59/87/23/1001598723.db2.gz BDKZDXSPYVXYEM-JTHBVZDNSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928680 1001598725 /nfs/dbraw/zinc/59/87/25/1001598725.db2.gz BDKZDXSPYVXYEM-JTHBVZDNSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930317 1001598997 /nfs/dbraw/zinc/59/89/97/1001598997.db2.gz HERJYLPRXXCKSB-OFNKIYASSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930317 1001599001 /nfs/dbraw/zinc/59/90/01/1001599001.db2.gz HERJYLPRXXCKSB-OFNKIYASSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113340 1001817180 /nfs/dbraw/zinc/81/71/80/1001817180.db2.gz QELMVQZGVNZQTN-HBMCJLEFSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507113340 1001817191 /nfs/dbraw/zinc/81/71/91/1001817191.db2.gz QELMVQZGVNZQTN-HBMCJLEFSA-N 2 2 415.626 3.867 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000498421070 1001850183 /nfs/dbraw/zinc/85/01/83/1001850183.db2.gz DYIWSLMOTKMKAZ-UHFFFAOYSA-N 2 2 422.617 3.811 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000498421070 1001850198 /nfs/dbraw/zinc/85/01/98/1001850198.db2.gz DYIWSLMOTKMKAZ-UHFFFAOYSA-N 2 2 422.617 3.811 20 0 HHADLP Fc1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498557256 1001972130 /nfs/dbraw/zinc/97/21/30/1001972130.db2.gz VVYDVAPRKBPJIL-NRFANRHFSA-N 2 2 412.553 3.524 20 0 HHADLP Fc1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498557256 1001972136 /nfs/dbraw/zinc/97/21/36/1001972136.db2.gz VVYDVAPRKBPJIL-NRFANRHFSA-N 2 2 412.553 3.524 20 0 HHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303950 1001984861 /nfs/dbraw/zinc/98/48/61/1001984861.db2.gz KGLCLOHFRGWBQX-DNVFCKCGSA-N 2 2 401.599 3.619 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCC[NH+]2CCOCC2)n1 ZINC000498666353 1002060423 /nfs/dbraw/zinc/06/04/23/1002060423.db2.gz HTMLEBWHYFRIAB-UHFFFAOYSA-N 2 2 411.575 3.554 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000507493254 1002106304 /nfs/dbraw/zinc/10/63/04/1002106304.db2.gz SVVFQCYBQPAJRV-MZYLBHOOSA-N 2 2 406.574 3.743 20 0 HHADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498827482 1002211748 /nfs/dbraw/zinc/21/17/48/1002211748.db2.gz YPCFUCQJQXWYQX-HSZRJFAPSA-N 2 2 408.590 3.611 20 0 HHADLP Clc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498834225 1002220860 /nfs/dbraw/zinc/22/08/60/1002220860.db2.gz NBQCWWHDEXAQSL-HXUWFJFHSA-N 2 2 414.981 3.648 20 0 HHADLP Clc1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498834225 1002220867 /nfs/dbraw/zinc/22/08/67/1002220867.db2.gz NBQCWWHDEXAQSL-HXUWFJFHSA-N 2 2 414.981 3.648 20 0 HHADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(F)c(F)c1 ZINC000499045609 1002426294 /nfs/dbraw/zinc/42/62/94/1002426294.db2.gz QOFGKFTVIGTEEH-UHFFFAOYSA-N 2 2 405.514 3.584 20 0 HHADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(F)c(F)c1 ZINC000499045609 1002426300 /nfs/dbraw/zinc/42/63/00/1002426300.db2.gz QOFGKFTVIGTEEH-UHFFFAOYSA-N 2 2 405.514 3.584 20 0 HHADLP CN(C(=O)NC[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508038024 1002560286 /nfs/dbraw/zinc/56/02/86/1002560286.db2.gz MDGSJFUZLSDOQF-DFQSSKMNSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NC[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508038024 1002560297 /nfs/dbraw/zinc/56/02/97/1002560297.db2.gz MDGSJFUZLSDOQF-DFQSSKMNSA-N 2 2 414.585 3.791 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236401 1002626834 /nfs/dbraw/zinc/62/68/34/1002626834.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236401 1002626844 /nfs/dbraw/zinc/62/68/44/1002626844.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236401 1002626851 /nfs/dbraw/zinc/62/68/51/1002626851.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236401 1002626857 /nfs/dbraw/zinc/62/68/57/1002626857.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 3 2 419.613 3.655 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499772891 1003110550 /nfs/dbraw/zinc/11/05/50/1003110550.db2.gz RGPAPSGUXVYNSX-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499772891 1003110554 /nfs/dbraw/zinc/11/05/54/1003110554.db2.gz RGPAPSGUXVYNSX-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801485 1003136692 /nfs/dbraw/zinc/13/66/92/1003136692.db2.gz UJRGKCMOEDLGRK-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000499801485 1003136699 /nfs/dbraw/zinc/13/66/99/1003136699.db2.gz UJRGKCMOEDLGRK-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000508852024 1003272537 /nfs/dbraw/zinc/27/25/37/1003272537.db2.gz IQMYPSMDUXLNLS-GHTZIAJQSA-N 2 2 400.592 3.575 20 0 HHADLP C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508889502 1003316503 /nfs/dbraw/zinc/31/65/03/1003316503.db2.gz DQMSWHWIJGIOBJ-PGRDOPGGSA-N 2 2 409.578 3.800 20 0 HHADLP Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509136750 1003579129 /nfs/dbraw/zinc/57/91/29/1003579129.db2.gz IVUUXGMNBICRNA-OAQYLSRUSA-N 2 2 424.614 3.670 20 0 HHADLP Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509136750 1003579134 /nfs/dbraw/zinc/57/91/34/1003579134.db2.gz IVUUXGMNBICRNA-OAQYLSRUSA-N 2 2 424.614 3.670 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)ccc(Br)c3F)[nH+]c2)C1 ZINC000500437804 1003717484 /nfs/dbraw/zinc/71/74/84/1003717484.db2.gz FOSLFEAPCADSED-CYBMUJFWSA-N 2 2 411.294 3.875 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000500487505 1003743406 /nfs/dbraw/zinc/74/34/06/1003743406.db2.gz MNRUTYXIWLZARR-UHFFFAOYSA-N 2 2 409.965 3.828 20 0 HHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000511829187 1003800850 /nfs/dbraw/zinc/80/08/50/1003800850.db2.gz HWYBSKFNXVEWKS-UHFFFAOYSA-N 2 2 417.557 3.519 20 0 HHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000511829187 1003800864 /nfs/dbraw/zinc/80/08/64/1003800864.db2.gz HWYBSKFNXVEWKS-UHFFFAOYSA-N 2 2 417.557 3.519 20 0 HHADLP CC[NH+](CC)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509386347 1003814546 /nfs/dbraw/zinc/81/45/46/1003814546.db2.gz JAOBKYZMQJCRCJ-UHFFFAOYSA-N 2 2 405.546 3.739 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000500688067 1003896013 /nfs/dbraw/zinc/89/60/13/1003896013.db2.gz ZECSESCXUTXBOO-SFTDATJTSA-N 2 2 421.589 3.591 20 0 HHADLP Ic1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000512126273 1004041318 /nfs/dbraw/zinc/04/13/18/1004041318.db2.gz ZXTZIHDNMGEAQA-UHFFFAOYSA-N 2 2 413.328 3.633 20 0 HHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128557 1004043960 /nfs/dbraw/zinc/04/39/60/1004043960.db2.gz GUAXVLIZIYDTIZ-ZFWWWQNUSA-N 2 2 421.891 3.776 20 0 HHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512128557 1004043972 /nfs/dbraw/zinc/04/39/72/1004043972.db2.gz GUAXVLIZIYDTIZ-ZFWWWQNUSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780440 1004091452 /nfs/dbraw/zinc/09/14/52/1004091452.db2.gz YYWQLZKHOBJOLR-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780440 1004091459 /nfs/dbraw/zinc/09/14/59/1004091459.db2.gz YYWQLZKHOBJOLR-UGKGYDQZSA-N 2 2 407.562 3.534 20 0 HHADLP O=C(COc1ccc(Cl)cc1)NC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000509782621 1004093157 /nfs/dbraw/zinc/09/31/57/1004093157.db2.gz LSDDVSRVMAGAGY-UHFFFAOYSA-N 2 2 407.986 3.612 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000512202068 1004103627 /nfs/dbraw/zinc/10/36/27/1004103627.db2.gz YUEAWJXCCCMOGU-OAQYLSRUSA-N 2 2 409.578 3.874 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000512202068 1004103633 /nfs/dbraw/zinc/10/36/33/1004103633.db2.gz YUEAWJXCCCMOGU-OAQYLSRUSA-N 2 2 409.578 3.874 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209413 1004110173 /nfs/dbraw/zinc/11/01/73/1004110173.db2.gz ATZALPMWHPVEFY-FCHUYYIVSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209413 1004110179 /nfs/dbraw/zinc/11/01/79/1004110179.db2.gz ATZALPMWHPVEFY-FCHUYYIVSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209413 1004110184 /nfs/dbraw/zinc/11/01/84/1004110184.db2.gz ATZALPMWHPVEFY-FCHUYYIVSA-N 2 2 413.606 3.774 20 0 HHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000512209413 1004110189 /nfs/dbraw/zinc/11/01/89/1004110189.db2.gz ATZALPMWHPVEFY-FCHUYYIVSA-N 2 2 413.606 3.774 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccco1 ZINC000501007488 1004112369 /nfs/dbraw/zinc/11/23/69/1004112369.db2.gz MWONXWILIZJPGG-RBUKOAKNSA-N 2 2 404.942 3.672 20 0 HHADLP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501027757 1004131508 /nfs/dbraw/zinc/13/15/08/1004131508.db2.gz FWPFZHOIAGGEFK-LJQANCHMSA-N 2 2 412.981 3.845 20 0 HHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC000501030380 1004134728 /nfs/dbraw/zinc/13/47/28/1004134728.db2.gz UVPWIQHNSIWCMX-UHFFFAOYSA-N 2 2 414.819 3.877 20 0 HHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC000501030380 1004134733 /nfs/dbraw/zinc/13/47/33/1004134733.db2.gz UVPWIQHNSIWCMX-UHFFFAOYSA-N 2 2 414.819 3.877 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237732 1004139452 /nfs/dbraw/zinc/13/94/52/1004139452.db2.gz VKEPEGMKILOGMH-RLWLMLJZSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237732 1004139457 /nfs/dbraw/zinc/13/94/57/1004139457.db2.gz VKEPEGMKILOGMH-RLWLMLJZSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237732 1004139462 /nfs/dbraw/zinc/13/94/62/1004139462.db2.gz VKEPEGMKILOGMH-RLWLMLJZSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237732 1004139466 /nfs/dbraw/zinc/13/94/66/1004139466.db2.gz VKEPEGMKILOGMH-RLWLMLJZSA-N 2 2 403.570 3.558 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238304 1004140278 /nfs/dbraw/zinc/14/02/78/1004140278.db2.gz ZYNRMGYWNYPUJG-NBGIEHNGSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238304 1004140291 /nfs/dbraw/zinc/14/02/91/1004140291.db2.gz ZYNRMGYWNYPUJG-NBGIEHNGSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238304 1004140301 /nfs/dbraw/zinc/14/03/01/1004140301.db2.gz ZYNRMGYWNYPUJG-NBGIEHNGSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238304 1004140312 /nfs/dbraw/zinc/14/03/12/1004140312.db2.gz ZYNRMGYWNYPUJG-NBGIEHNGSA-N 2 2 409.549 3.771 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271631 1004173374 /nfs/dbraw/zinc/17/33/74/1004173374.db2.gz VBNHQQXIHDXXRI-LZCXECNNSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512271631 1004173380 /nfs/dbraw/zinc/17/33/80/1004173380.db2.gz VBNHQQXIHDXXRI-LZCXECNNSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512271631 1004173388 /nfs/dbraw/zinc/17/33/88/1004173388.db2.gz VBNHQQXIHDXXRI-LZCXECNNSA-N 2 2 421.585 3.859 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512271631 1004173394 /nfs/dbraw/zinc/17/33/94/1004173394.db2.gz VBNHQQXIHDXXRI-LZCXECNNSA-N 2 2 421.585 3.859 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501086410 1004192254 /nfs/dbraw/zinc/19/22/54/1004192254.db2.gz JXHRCGPZVPUJKY-QWIYEXKTSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501086410 1004192257 /nfs/dbraw/zinc/19/22/57/1004192257.db2.gz JXHRCGPZVPUJKY-QWIYEXKTSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000512392115 1004265429 /nfs/dbraw/zinc/26/54/29/1004265429.db2.gz JCKBKZLMQHPGOX-OHUMZHCVSA-N 2 2 409.578 3.776 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000512392115 1004265440 /nfs/dbraw/zinc/26/54/40/1004265440.db2.gz JCKBKZLMQHPGOX-OHUMZHCVSA-N 2 2 409.578 3.776 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347750 1004359668 /nfs/dbraw/zinc/35/96/68/1004359668.db2.gz AYQWFUZXTZZRBA-FGZHOGPDSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347750 1004359677 /nfs/dbraw/zinc/35/96/77/1004359677.db2.gz AYQWFUZXTZZRBA-FGZHOGPDSA-N 2 2 412.582 3.672 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000512551161 1004379223 /nfs/dbraw/zinc/37/92/23/1004379223.db2.gz RDBZNKZPNZTEKK-JTHBVZDNSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000512551161 1004379229 /nfs/dbraw/zinc/37/92/29/1004379229.db2.gz RDBZNKZPNZTEKK-JTHBVZDNSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501496042 1004465643 /nfs/dbraw/zinc/46/56/43/1004465643.db2.gz RIIGXQVSIRIJMI-WCIQWLHISA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501496042 1004465648 /nfs/dbraw/zinc/46/56/48/1004465648.db2.gz RIIGXQVSIRIJMI-WCIQWLHISA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501496042 1004465651 /nfs/dbraw/zinc/46/56/51/1004465651.db2.gz RIIGXQVSIRIJMI-WCIQWLHISA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501496042 1004465654 /nfs/dbraw/zinc/46/56/54/1004465654.db2.gz RIIGXQVSIRIJMI-WCIQWLHISA-N 2 2 402.583 3.680 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)CC2)nc1 ZINC000512657385 1004468040 /nfs/dbraw/zinc/46/80/40/1004468040.db2.gz BYRHRRQQFVJBIM-JOCHJYFZSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)CC2)nc1 ZINC000512657385 1004468041 /nfs/dbraw/zinc/46/80/41/1004468041.db2.gz BYRHRRQQFVJBIM-JOCHJYFZSA-N 2 2 401.558 3.664 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000512678634 1004487378 /nfs/dbraw/zinc/48/73/78/1004487378.db2.gz RHCCQQQAHZAXRE-VXKWHMMOSA-N 2 2 408.590 3.651 20 0 HHADLP O=C(CC[NH2+]CC(c1ccccc1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000510358193 1004505660 /nfs/dbraw/zinc/50/56/60/1004505660.db2.gz YVMBPMMKMAFVAL-UHFFFAOYSA-N 2 2 414.553 3.542 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)cc2)CC1 ZINC000510363372 1004510439 /nfs/dbraw/zinc/51/04/39/1004510439.db2.gz POGWZTVQSKKNKA-UHFFFAOYSA-N 2 2 420.557 3.884 20 0 HHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000512904461 1004672844 /nfs/dbraw/zinc/67/28/44/1004672844.db2.gz UWVPZXMIRNBDHO-ANPWDWPXSA-N 2 2 409.496 3.782 20 0 HHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512904461 1004672847 /nfs/dbraw/zinc/67/28/47/1004672847.db2.gz UWVPZXMIRNBDHO-ANPWDWPXSA-N 2 2 409.496 3.782 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510547069 1004681340 /nfs/dbraw/zinc/68/13/40/1004681340.db2.gz JZOQJXXLMZLCCZ-JLCFBVMHSA-N 2 2 400.473 3.739 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627752 1004763181 /nfs/dbraw/zinc/76/31/81/1004763181.db2.gz FQVWQJNLGBIGJR-GKCIPKSASA-N 2 2 408.949 3.564 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627752 1004763186 /nfs/dbraw/zinc/76/31/86/1004763186.db2.gz FQVWQJNLGBIGJR-GKCIPKSASA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627752 1004763191 /nfs/dbraw/zinc/76/31/91/1004763191.db2.gz FQVWQJNLGBIGJR-GKCIPKSASA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000510627752 1004763196 /nfs/dbraw/zinc/76/31/96/1004763196.db2.gz FQVWQJNLGBIGJR-GKCIPKSASA-N 2 2 408.949 3.564 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510881812 1004908730 /nfs/dbraw/zinc/90/87/30/1004908730.db2.gz XUUHACHPSGRHBM-JOCHJYFZSA-N 2 2 421.589 3.782 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510881812 1004908736 /nfs/dbraw/zinc/90/87/36/1004908736.db2.gz XUUHACHPSGRHBM-JOCHJYFZSA-N 2 2 421.589 3.782 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cn2)CC1 ZINC000513371467 1004931054 /nfs/dbraw/zinc/93/10/54/1004931054.db2.gz LEGLLQNLBDKNTH-UHFFFAOYSA-N 2 2 418.372 3.825 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccc(Cl)c(Cl)c4)CC3)cn2)CC1 ZINC000513371467 1004931059 /nfs/dbraw/zinc/93/10/59/1004931059.db2.gz LEGLLQNLBDKNTH-UHFFFAOYSA-N 2 2 418.372 3.825 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943541 1004947092 /nfs/dbraw/zinc/94/70/92/1004947092.db2.gz GXOVZUADGCZIGT-AVRDEDQJSA-N 2 2 415.603 3.546 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000510943541 1004947100 /nfs/dbraw/zinc/94/71/00/1004947100.db2.gz GXOVZUADGCZIGT-AVRDEDQJSA-N 2 2 415.603 3.546 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000502234626 1004971240 /nfs/dbraw/zinc/97/12/40/1004971240.db2.gz SYVOXSPZWJOMKB-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000502323493 1005012015 /nfs/dbraw/zinc/01/20/15/1005012015.db2.gz FGVYEEILPWWFHE-HSZRJFAPSA-N 2 2 407.562 3.907 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000502323493 1005012020 /nfs/dbraw/zinc/01/20/20/1005012020.db2.gz FGVYEEILPWWFHE-HSZRJFAPSA-N 2 2 407.562 3.907 20 0 HHADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC[NH+](CCO)CC1 ZINC000513553765 1005019486 /nfs/dbraw/zinc/01/94/86/1005019486.db2.gz JVUSCQURXZJZIZ-UHFFFAOYSA-N 2 2 410.587 3.548 20 0 HHADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC[NH+](CCO)CC1 ZINC000513553765 1005019493 /nfs/dbraw/zinc/01/94/93/1005019493.db2.gz JVUSCQURXZJZIZ-UHFFFAOYSA-N 2 2 410.587 3.548 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000511146706 1005044819 /nfs/dbraw/zinc/04/48/19/1005044819.db2.gz PQMYFOPVWCUFNK-UHFFFAOYSA-N 2 2 420.601 3.675 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000513638769 1005060851 /nfs/dbraw/zinc/06/08/51/1005060851.db2.gz WCFDJINRPPYNEI-UHFFFAOYSA-N 2 2 412.603 3.576 20 0 HHADLP Cc1nc(COc2ccc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc2)cs1 ZINC000513690984 1005084009 /nfs/dbraw/zinc/08/40/09/1005084009.db2.gz PDXVFTSPQOORJA-JOCHJYFZSA-N 2 2 414.619 3.632 20 0 HHADLP Cc1nc(COc2ccc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc2)cs1 ZINC000513690984 1005084012 /nfs/dbraw/zinc/08/40/12/1005084012.db2.gz PDXVFTSPQOORJA-JOCHJYFZSA-N 2 2 414.619 3.632 20 0 HHADLP CC(C)CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccoc1 ZINC000513702326 1005089006 /nfs/dbraw/zinc/08/90/06/1005089006.db2.gz HXXMDSACSNKMEP-LEWJYISDSA-N 2 2 413.566 3.642 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502572730 1005124788 /nfs/dbraw/zinc/12/47/88/1005124788.db2.gz QNABSINUYSJOEF-YADHBBJMSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502572730 1005124791 /nfs/dbraw/zinc/12/47/91/1005124791.db2.gz QNABSINUYSJOEF-YADHBBJMSA-N 2 2 417.569 3.584 20 0 HHADLP CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366875 1005141411 /nfs/dbraw/zinc/14/14/11/1005141411.db2.gz LBZVAZDAOMCIJK-YADHBBJMSA-N 2 2 405.945 3.702 20 0 HHADLP c1sc(COc2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817187 1005142245 /nfs/dbraw/zinc/14/22/45/1005142245.db2.gz CFQIDNODWUALDG-UHFFFAOYSA-N 2 2 401.576 3.656 20 0 HHADLP CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccc(Cl)cc2)C1 ZINC000511399779 1005158113 /nfs/dbraw/zinc/15/81/13/1005158113.db2.gz PNAFQQZJLLDBSM-DHIUTWEWSA-N 2 2 410.949 3.746 20 0 HHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000502689583 1005181183 /nfs/dbraw/zinc/18/11/83/1005181183.db2.gz MADUFGPDOANKDZ-UHFFFAOYSA-N 2 2 401.864 3.861 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000511489648 1005198532 /nfs/dbraw/zinc/19/85/32/1005198532.db2.gz KRIIUOCQDWZJHX-FQEVSTJZSA-N 2 2 403.958 3.589 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000511489648 1005198539 /nfs/dbraw/zinc/19/85/39/1005198539.db2.gz KRIIUOCQDWZJHX-FQEVSTJZSA-N 2 2 403.958 3.589 20 0 HHADLP CCC1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514023671 1005232095 /nfs/dbraw/zinc/23/20/95/1005232095.db2.gz AVSLAWYGASFZSZ-UHFFFAOYSA-N 2 2 421.589 3.606 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000514055614 1005246324 /nfs/dbraw/zinc/24/63/24/1005246324.db2.gz MYZLVGZIZADJOE-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000514055614 1005246329 /nfs/dbraw/zinc/24/63/29/1005246329.db2.gz MYZLVGZIZADJOE-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502931211 1005279864 /nfs/dbraw/zinc/27/98/64/1005279864.db2.gz BOMKESGLPLHHDC-UHFFFAOYSA-N 2 2 421.589 3.878 20 0 HHADLP CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502938781 1005283810 /nfs/dbraw/zinc/28/38/10/1005283810.db2.gz HRZUUKIBJQWTPK-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000502964489 1005294462 /nfs/dbraw/zinc/29/44/62/1005294462.db2.gz GRDJQFJTGGCAKZ-JOCHJYFZSA-N 2 2 424.614 3.727 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000502964489 1005294465 /nfs/dbraw/zinc/29/44/65/1005294465.db2.gz GRDJQFJTGGCAKZ-JOCHJYFZSA-N 2 2 424.614 3.727 20 0 HHADLP c1ccc([C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000511785158 1005326734 /nfs/dbraw/zinc/32/67/34/1005326734.db2.gz JCXZWDJWPJSNRF-KKUQBAQOSA-N 2 2 405.586 3.703 20 0 HHADLP c1ccc([C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000511785158 1005326739 /nfs/dbraw/zinc/32/67/39/1005326739.db2.gz JCXZWDJWPJSNRF-KKUQBAQOSA-N 2 2 405.586 3.703 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000503061326 1005332857 /nfs/dbraw/zinc/33/28/57/1005332857.db2.gz FNYNTZNYXCOBGU-YJBOKZPZSA-N 2 2 404.474 3.980 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000503061326 1005332861 /nfs/dbraw/zinc/33/28/61/1005332861.db2.gz FNYNTZNYXCOBGU-YJBOKZPZSA-N 2 2 404.474 3.980 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144839 1005356571 /nfs/dbraw/zinc/35/65/71/1005356571.db2.gz ILSJHJKHSVSEAZ-DNQXCXABSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144839 1005356572 /nfs/dbraw/zinc/35/65/72/1005356572.db2.gz ILSJHJKHSVSEAZ-DNQXCXABSA-N 2 2 422.573 3.571 20 0 HHADLP C[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000503386973 1005405111 /nfs/dbraw/zinc/40/51/11/1005405111.db2.gz VATRAFHVSRUEPX-HXOBKFHXSA-N 2 2 413.949 3.636 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437005 1005420086 /nfs/dbraw/zinc/42/00/86/1005420086.db2.gz LQWWXRJMCZVEBQ-FHWLQOOXSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437005 1005420088 /nfs/dbraw/zinc/42/00/88/1005420088.db2.gz LQWWXRJMCZVEBQ-FHWLQOOXSA-N 2 2 410.562 3.673 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000503465270 1005428842 /nfs/dbraw/zinc/42/88/42/1005428842.db2.gz DVWJIOLQBOZHJI-HSZRJFAPSA-N 2 2 418.541 3.764 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000503465270 1005428844 /nfs/dbraw/zinc/42/88/44/1005428844.db2.gz DVWJIOLQBOZHJI-HSZRJFAPSA-N 2 2 418.541 3.764 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612293 1005465053 /nfs/dbraw/zinc/46/50/53/1005465053.db2.gz BJNNVWNNQLKZJQ-CRAIPNDOSA-N 2 2 423.483 3.528 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612293 1005465054 /nfs/dbraw/zinc/46/50/54/1005465054.db2.gz BJNNVWNNQLKZJQ-CRAIPNDOSA-N 2 2 423.483 3.528 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000503733928 1005487039 /nfs/dbraw/zinc/48/70/39/1005487039.db2.gz JJKHXCHLUHPSDL-HXUWFJFHSA-N 2 2 407.562 3.577 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000503733926 1005487058 /nfs/dbraw/zinc/48/70/58/1005487058.db2.gz JJKHXCHLUHPSDL-FQEVSTJZSA-N 2 2 407.562 3.577 20 0 HHADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000514440322 1005992180 /nfs/dbraw/zinc/99/21/80/1005992180.db2.gz JQIJDNKTVMQWAG-KRWDZBQOSA-N 2 2 420.479 3.554 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000531204940 1006045670 /nfs/dbraw/zinc/04/56/70/1006045670.db2.gz NKVNHRJRHDCXDB-MRXNPFEDSA-N 2 2 413.591 3.934 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000531204940 1006045683 /nfs/dbraw/zinc/04/56/83/1006045683.db2.gz NKVNHRJRHDCXDB-MRXNPFEDSA-N 2 2 413.591 3.934 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194039 1006183940 /nfs/dbraw/zinc/18/39/40/1006183940.db2.gz KJQTXIASMCWJBV-SFTDATJTSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194039 1006183947 /nfs/dbraw/zinc/18/39/47/1006183947.db2.gz KJQTXIASMCWJBV-SFTDATJTSA-N 2 2 402.583 3.886 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534203152 1006194707 /nfs/dbraw/zinc/19/47/07/1006194707.db2.gz SAKONZUGMOLLRH-RTBURBONSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534203152 1006194718 /nfs/dbraw/zinc/19/47/18/1006194718.db2.gz SAKONZUGMOLLRH-RTBURBONSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534310678 1006291632 /nfs/dbraw/zinc/29/16/32/1006291632.db2.gz UHTUSPLBGXSURC-FCHUYYIVSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534310678 1006291641 /nfs/dbraw/zinc/29/16/41/1006291641.db2.gz UHTUSPLBGXSURC-FCHUYYIVSA-N 2 2 412.553 3.783 20 0 HHADLP Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c(C)c[nH+]1 ZINC000534324550 1006299706 /nfs/dbraw/zinc/29/97/06/1006299706.db2.gz RMANAJSSUBRQDV-UHFFFAOYSA-N 2 2 406.452 3.925 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359508 1006323179 /nfs/dbraw/zinc/32/31/79/1006323179.db2.gz JXNXZJVLIJZCRH-XZOQPEGZSA-N 2 2 401.595 3.641 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359508 1006323192 /nfs/dbraw/zinc/32/31/92/1006323192.db2.gz JXNXZJVLIJZCRH-XZOQPEGZSA-N 2 2 401.595 3.641 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360203 1006323254 /nfs/dbraw/zinc/32/32/54/1006323254.db2.gz MCLBGGHVWQAEQJ-VXKWHMMOSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360203 1006323265 /nfs/dbraw/zinc/32/32/65/1006323265.db2.gz MCLBGGHVWQAEQJ-VXKWHMMOSA-N 2 2 417.569 3.584 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361260 1006326167 /nfs/dbraw/zinc/32/61/67/1006326167.db2.gz WQCNVYTVPQIPQL-XZOQPEGZSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361260 1006326177 /nfs/dbraw/zinc/32/61/77/1006326177.db2.gz WQCNVYTVPQIPQL-XZOQPEGZSA-N 2 2 410.606 3.814 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360884 1006326299 /nfs/dbraw/zinc/32/62/99/1006326299.db2.gz RIHPKVAZWDZQOL-PKTZIBPZSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360884 1006326311 /nfs/dbraw/zinc/32/63/11/1006326311.db2.gz RIHPKVAZWDZQOL-PKTZIBPZSA-N 2 2 415.622 3.812 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534377491 1006346196 /nfs/dbraw/zinc/34/61/96/1006346196.db2.gz ZOZSSOXINVYDFV-QZTJIDSGSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534377491 1006346206 /nfs/dbraw/zinc/34/62/06/1006346206.db2.gz ZOZSSOXINVYDFV-QZTJIDSGSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534377490 1006346473 /nfs/dbraw/zinc/34/64/73/1006346473.db2.gz ZOZSSOXINVYDFV-MSOLQXFVSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534377490 1006346485 /nfs/dbraw/zinc/34/64/85/1006346485.db2.gz ZOZSSOXINVYDFV-MSOLQXFVSA-N 2 2 410.965 3.833 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381877 1006351992 /nfs/dbraw/zinc/35/19/92/1006351992.db2.gz IGAFZSSOMZTZJV-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381877 1006352005 /nfs/dbraw/zinc/35/20/05/1006352005.db2.gz IGAFZSSOMZTZJV-NHCUHLMSSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382089 1006352792 /nfs/dbraw/zinc/35/27/92/1006352792.db2.gz MPFFPMUCQJITDC-OALUTQOASA-N 2 2 410.965 3.740 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382089 1006352802 /nfs/dbraw/zinc/35/28/02/1006352802.db2.gz MPFFPMUCQJITDC-OALUTQOASA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382089 1006352810 /nfs/dbraw/zinc/35/28/10/1006352810.db2.gz MPFFPMUCQJITDC-OALUTQOASA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534382089 1006352819 /nfs/dbraw/zinc/35/28/19/1006352819.db2.gz MPFFPMUCQJITDC-OALUTQOASA-N 2 2 410.965 3.740 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381966 1006353770 /nfs/dbraw/zinc/35/37/70/1006353770.db2.gz KRDVJWCAFNJUCA-RTWAWAEBSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534381966 1006353778 /nfs/dbraw/zinc/35/37/78/1006353778.db2.gz KRDVJWCAFNJUCA-RTWAWAEBSA-N 2 2 422.976 3.742 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383869 1006356795 /nfs/dbraw/zinc/35/67/95/1006356795.db2.gz GZSRZANIKVFHHQ-HJOGWXRNSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383869 1006356809 /nfs/dbraw/zinc/35/68/09/1006356809.db2.gz GZSRZANIKVFHHQ-HJOGWXRNSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386443 1006359568 /nfs/dbraw/zinc/35/95/68/1006359568.db2.gz ZTJZNIXROMXWCZ-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccccc1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386443 1006359579 /nfs/dbraw/zinc/35/95/79/1006359579.db2.gz ZTJZNIXROMXWCZ-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)Cc2ccccc2C1 ZINC000531724175 1006380414 /nfs/dbraw/zinc/38/04/14/1006380414.db2.gz UWDFGZXVPPLMQX-UHFFFAOYSA-N 2 2 411.977 3.633 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000534528679 1006521858 /nfs/dbraw/zinc/52/18/58/1006521858.db2.gz GGIPZPQHLSPKGJ-SIKLNZKXSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000534528679 1006521867 /nfs/dbraw/zinc/52/18/67/1006521867.db2.gz GGIPZPQHLSPKGJ-SIKLNZKXSA-N 2 2 412.603 3.628 20 0 HHADLP c1ccc(C(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000531932232 1006529473 /nfs/dbraw/zinc/52/94/73/1006529473.db2.gz RDZIOGZPAZCIGY-UHFFFAOYSA-N 2 2 407.602 3.595 20 0 HHADLP c1ccc(C(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc2)cc1 ZINC000531932232 1006529483 /nfs/dbraw/zinc/52/94/83/1006529483.db2.gz RDZIOGZPAZCIGY-UHFFFAOYSA-N 2 2 407.602 3.595 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325128 1006591462 /nfs/dbraw/zinc/59/14/62/1006591462.db2.gz OOOZCJKJTHKLDP-FCHUYYIVSA-N 2 2 418.630 3.648 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325128 1006591477 /nfs/dbraw/zinc/59/14/77/1006591477.db2.gz OOOZCJKJTHKLDP-FCHUYYIVSA-N 2 2 418.630 3.648 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538359350 1006627936 /nfs/dbraw/zinc/62/79/36/1006627936.db2.gz VMVFFYKQVTVTFZ-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538359350 1006627943 /nfs/dbraw/zinc/62/79/43/1006627943.db2.gz VMVFFYKQVTVTFZ-VQTJNVASSA-N 2 2 424.536 3.774 20 0 HHADLP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000515742937 1006634554 /nfs/dbraw/zinc/63/45/54/1006634554.db2.gz AZWYJRAISPYAMM-JOCHJYFZSA-N 2 2 421.589 3.703 20 0 HHADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000515742937 1006634561 /nfs/dbraw/zinc/63/45/61/1006634561.db2.gz AZWYJRAISPYAMM-JOCHJYFZSA-N 2 2 421.589 3.703 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)n2)C1 ZINC000515767164 1006656951 /nfs/dbraw/zinc/65/69/51/1006656951.db2.gz VGNSFWRFHQSDNI-KRWDZBQOSA-N 2 2 407.628 3.961 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)n2)C1 ZINC000515767164 1006656962 /nfs/dbraw/zinc/65/69/62/1006656962.db2.gz VGNSFWRFHQSDNI-KRWDZBQOSA-N 2 2 407.628 3.961 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3c(F)cccc3F)[nH+]c2)CC1 ZINC000538426146 1006692535 /nfs/dbraw/zinc/69/25/35/1006692535.db2.gz CBSOMDMNYVYWCK-UHFFFAOYSA-N 2 2 412.488 3.892 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000532222743 1006731813 /nfs/dbraw/zinc/73/18/13/1006731813.db2.gz NVUISOXBNLGGHH-QUCCMNQESA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000532222743 1006731828 /nfs/dbraw/zinc/73/18/28/1006731828.db2.gz NVUISOXBNLGGHH-QUCCMNQESA-N 2 2 411.546 3.675 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558215 1006819959 /nfs/dbraw/zinc/81/99/59/1006819959.db2.gz SGURNCMMYRVRGK-UTKZUKDTSA-N 2 2 410.566 3.925 20 0 HHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479116 1006918722 /nfs/dbraw/zinc/91/87/22/1006918722.db2.gz AEMHPSSIDAAVQX-UKRRQHHQSA-N 2 2 424.408 3.988 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Cl ZINC000532497308 1006938603 /nfs/dbraw/zinc/93/86/03/1006938603.db2.gz RUKWJJFCJAPMLD-UWJYYQICSA-N 2 2 417.981 3.997 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516215088 1006951803 /nfs/dbraw/zinc/95/18/03/1006951803.db2.gz FQLMMUVUCXSDHV-HSZRJFAPSA-N 2 2 409.622 3.647 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516215088 1006951811 /nfs/dbraw/zinc/95/18/11/1006951811.db2.gz FQLMMUVUCXSDHV-HSZRJFAPSA-N 2 2 409.622 3.647 20 0 HHADLP CCOc1ccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000534939023 1006978941 /nfs/dbraw/zinc/97/89/41/1006978941.db2.gz ZJTMARLHANQMQL-UHFFFAOYSA-N 2 2 402.608 3.667 20 0 HHADLP CCOc1ccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000534939023 1006978955 /nfs/dbraw/zinc/97/89/55/1006978955.db2.gz ZJTMARLHANQMQL-UHFFFAOYSA-N 2 2 402.608 3.667 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1F ZINC000516271841 1006985280 /nfs/dbraw/zinc/98/52/80/1006985280.db2.gz HWJHQSKSGJCXQG-NRFANRHFSA-N 2 2 413.472 3.561 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094356 1007109419 /nfs/dbraw/zinc/10/94/19/1007109419.db2.gz GJNLFAGEBZPEDY-XZOQPEGZSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094356 1007109425 /nfs/dbraw/zinc/10/94/25/1007109425.db2.gz GJNLFAGEBZPEDY-XZOQPEGZSA-N 2 2 412.578 3.586 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095455 1007111610 /nfs/dbraw/zinc/11/16/10/1007111610.db2.gz NISVNOCCNOUWHI-VQTJNVASSA-N 2 2 406.640 3.751 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095455 1007111616 /nfs/dbraw/zinc/11/16/16/1007111616.db2.gz NISVNOCCNOUWHI-VQTJNVASSA-N 2 2 406.640 3.751 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096598 1007114436 /nfs/dbraw/zinc/11/44/36/1007114436.db2.gz VGUGYANZQQPBEJ-FGZHOGPDSA-N 2 2 418.651 3.501 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096598 1007114442 /nfs/dbraw/zinc/11/44/42/1007114442.db2.gz VGUGYANZQQPBEJ-FGZHOGPDSA-N 2 2 418.651 3.501 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100666 1007120473 /nfs/dbraw/zinc/12/04/73/1007120473.db2.gz QEGQHFCYYXXNGL-CJRSTVEYSA-N 2 2 413.606 3.594 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100666 1007120477 /nfs/dbraw/zinc/12/04/77/1007120477.db2.gz QEGQHFCYYXXNGL-CJRSTVEYSA-N 2 2 413.606 3.594 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118726 1007149629 /nfs/dbraw/zinc/14/96/29/1007149629.db2.gz WOKBHRHVWIOLIU-WBCYEJBOSA-N 2 2 410.965 3.596 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118726 1007149637 /nfs/dbraw/zinc/14/96/37/1007149637.db2.gz WOKBHRHVWIOLIU-WBCYEJBOSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118726 1007149642 /nfs/dbraw/zinc/14/96/42/1007149642.db2.gz WOKBHRHVWIOLIU-WBCYEJBOSA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000535118726 1007149646 /nfs/dbraw/zinc/14/96/46/1007149646.db2.gz WOKBHRHVWIOLIU-WBCYEJBOSA-N 2 2 410.965 3.596 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122085 1007154814 /nfs/dbraw/zinc/15/48/14/1007154814.db2.gz QFBJZRVTIAOZGP-YFNKSVMNSA-N 2 2 414.638 3.986 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122085 1007154820 /nfs/dbraw/zinc/15/48/20/1007154820.db2.gz QFBJZRVTIAOZGP-YFNKSVMNSA-N 2 2 414.638 3.986 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122802 1007155935 /nfs/dbraw/zinc/15/59/35/1007155935.db2.gz YFLYMYPCEWXGCQ-NYVOZVTQSA-N 2 2 418.630 3.504 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122802 1007155942 /nfs/dbraw/zinc/15/59/42/1007155942.db2.gz YFLYMYPCEWXGCQ-NYVOZVTQSA-N 2 2 418.630 3.504 20 0 HHADLP CC[N@H+](Cc1cccc(C(=O)OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000516708440 1007247494 /nfs/dbraw/zinc/24/74/94/1007247494.db2.gz BRDIFXPIWGXJFE-UHFFFAOYSA-N 2 2 411.550 3.581 20 0 HHADLP CC[N@@H+](Cc1cccc(C(=O)OC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000516708440 1007247507 /nfs/dbraw/zinc/24/75/07/1007247507.db2.gz BRDIFXPIWGXJFE-UHFFFAOYSA-N 2 2 411.550 3.581 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000516708852 1007249001 /nfs/dbraw/zinc/24/90/01/1007249001.db2.gz HVIYQLKKUYREPL-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000516708852 1007249013 /nfs/dbraw/zinc/24/90/13/1007249013.db2.gz HVIYQLKKUYREPL-AUSIDOKSSA-N 2 2 403.530 3.566 20 0 HHADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000539078132 1007368947 /nfs/dbraw/zinc/36/89/47/1007368947.db2.gz MUPBZDZIBHHOBI-RTWAWAEBSA-N 2 2 409.578 3.558 20 0 HHADLP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539078349 1007370285 /nfs/dbraw/zinc/37/02/85/1007370285.db2.gz OKLLBMLMXLJHBO-XPWALMASSA-N 2 2 421.589 3.598 20 0 HHADLP CC(C)C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000539083076 1007372967 /nfs/dbraw/zinc/37/29/67/1007372967.db2.gz VXJPWVBKPOKPMA-MOPGFXCFSA-N 2 2 415.607 3.721 20 0 HHADLP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085972 1007374786 /nfs/dbraw/zinc/37/47/86/1007374786.db2.gz AYERYMNIHOEQRI-OAQYLSRUSA-N 2 2 417.557 3.652 20 0 HHADLP CC[N@H+](CCC(=O)Nc1cc(C)on1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073405 1007435466 /nfs/dbraw/zinc/43/54/66/1007435466.db2.gz JWWKJGRIYSVCTB-UHFFFAOYSA-N 2 2 414.554 3.524 20 0 HHADLP CC[N@@H+](CCC(=O)Nc1cc(C)on1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073405 1007435475 /nfs/dbraw/zinc/43/54/75/1007435475.db2.gz JWWKJGRIYSVCTB-UHFFFAOYSA-N 2 2 414.554 3.524 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000517128791 1007442565 /nfs/dbraw/zinc/44/25/65/1007442565.db2.gz DJJGACGMNGDCTL-FQEVSTJZSA-N 2 2 422.573 3.650 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1)[NH+]1CCOCC1 ZINC000517128791 1007442567 /nfs/dbraw/zinc/44/25/67/1007442567.db2.gz DJJGACGMNGDCTL-FQEVSTJZSA-N 2 2 422.573 3.650 20 0 HHADLP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000533104333 1007456015 /nfs/dbraw/zinc/45/60/15/1007456015.db2.gz CHGXTSFHSPLVPX-VWLOTQADSA-N 2 2 406.574 3.563 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000539220104 1007511500 /nfs/dbraw/zinc/51/15/00/1007511500.db2.gz GMILQUGMCAEHQS-INIZCTEOSA-N 2 2 411.531 3.546 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177928 1007519996 /nfs/dbraw/zinc/51/99/96/1007519996.db2.gz MVWSEHCDBMIQEM-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000533177928 1007520005 /nfs/dbraw/zinc/52/00/05/1007520005.db2.gz MVWSEHCDBMIQEM-RTWAWAEBSA-N 2 2 418.944 3.785 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000539313944 1007612743 /nfs/dbraw/zinc/61/27/43/1007612743.db2.gz RPEIXWOWZJUFGC-SJORKVTESA-N 2 2 423.536 3.766 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000517438592 1007660744 /nfs/dbraw/zinc/66/07/44/1007660744.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000517438592 1007660746 /nfs/dbraw/zinc/66/07/46/1007660746.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000517438592 1007660752 /nfs/dbraw/zinc/66/07/52/1007660752.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 2 2 420.189 3.992 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000517438592 1007660755 /nfs/dbraw/zinc/66/07/55/1007660755.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 2 2 420.189 3.992 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413289 1007721053 /nfs/dbraw/zinc/72/10/53/1007721053.db2.gz KPDAFZZDKILAFA-NRFANRHFSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413289 1007721063 /nfs/dbraw/zinc/72/10/63/1007721063.db2.gz KPDAFZZDKILAFA-NRFANRHFSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413289 1007721074 /nfs/dbraw/zinc/72/10/74/1007721074.db2.gz KPDAFZZDKILAFA-NRFANRHFSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413289 1007721085 /nfs/dbraw/zinc/72/10/85/1007721085.db2.gz KPDAFZZDKILAFA-NRFANRHFSA-N 2 2 409.574 3.731 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458946 1007769263 /nfs/dbraw/zinc/76/92/63/1007769263.db2.gz RNDQOZVTLAUSAE-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458946 1007769274 /nfs/dbraw/zinc/76/92/74/1007769274.db2.gz RNDQOZVTLAUSAE-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807819 1007817276 /nfs/dbraw/zinc/81/72/76/1007817276.db2.gz DMIKPIBSFSZACB-FYYLOGMGSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807819 1007817294 /nfs/dbraw/zinc/81/72/94/1007817294.db2.gz DMIKPIBSFSZACB-FYYLOGMGSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807819 1007817305 /nfs/dbraw/zinc/81/73/05/1007817305.db2.gz DMIKPIBSFSZACB-FYYLOGMGSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807819 1007817315 /nfs/dbraw/zinc/81/73/15/1007817315.db2.gz DMIKPIBSFSZACB-FYYLOGMGSA-N 2 2 405.521 3.893 20 0 HHADLP CN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849880 1007862404 /nfs/dbraw/zinc/86/24/04/1007862404.db2.gz WMDUCUCSROWGLQ-NJYVYQBISA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849880 1007862409 /nfs/dbraw/zinc/86/24/09/1007862409.db2.gz WMDUCUCSROWGLQ-NJYVYQBISA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851526 1007866637 /nfs/dbraw/zinc/86/66/37/1007866637.db2.gz FBWWFGYLELMWCU-IRXDYDNUSA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851526 1007866648 /nfs/dbraw/zinc/86/66/48/1007866648.db2.gz FBWWFGYLELMWCU-IRXDYDNUSA-N 2 2 415.475 3.652 20 0 HHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567423 1007882963 /nfs/dbraw/zinc/88/29/63/1007882963.db2.gz BLDFELFEWDLFML-TZIWHRDSSA-N 2 2 423.523 3.860 20 0 HHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567423 1007882968 /nfs/dbraw/zinc/88/29/68/1007882968.db2.gz BLDFELFEWDLFML-TZIWHRDSSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567423 1007882981 /nfs/dbraw/zinc/88/29/81/1007882981.db2.gz BLDFELFEWDLFML-TZIWHRDSSA-N 2 2 423.523 3.860 20 0 HHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000539567423 1007882987 /nfs/dbraw/zinc/88/29/87/1007882987.db2.gz BLDFELFEWDLFML-TZIWHRDSSA-N 2 2 423.523 3.860 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874903 1007892368 /nfs/dbraw/zinc/89/23/68/1007892368.db2.gz FKMPJCKTFQKULJ-QMMLZNLJSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874903 1007892374 /nfs/dbraw/zinc/89/23/74/1007892374.db2.gz FKMPJCKTFQKULJ-QMMLZNLJSA-N 2 2 406.640 3.658 20 0 HHADLP CCC1(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000535930325 1007955184 /nfs/dbraw/zinc/95/51/84/1007955184.db2.gz OFGMVZXAVFNHTB-NRFANRHFSA-N 2 2 409.578 3.611 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646934 1007955834 /nfs/dbraw/zinc/95/58/34/1007955834.db2.gz HSASVAKFMXUZOQ-MHTWAQMVSA-N 2 2 403.636 3.956 20 0 HHADLP Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646934 1007955842 /nfs/dbraw/zinc/95/58/42/1007955842.db2.gz HSASVAKFMXUZOQ-MHTWAQMVSA-N 2 2 403.636 3.956 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647296 1007957269 /nfs/dbraw/zinc/95/72/69/1007957269.db2.gz FFNCUDOPTPDHTD-QDSKXPNFSA-N 2 2 415.622 3.887 20 0 HHADLP C[C@H](CCOc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647296 1007957271 /nfs/dbraw/zinc/95/72/71/1007957271.db2.gz FFNCUDOPTPDHTD-QDSKXPNFSA-N 2 2 415.622 3.887 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647507 1007957361 /nfs/dbraw/zinc/95/73/61/1007957361.db2.gz HNWLHILHBFOINP-NHCUHLMSSA-N 2 2 417.594 3.503 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647507 1007957370 /nfs/dbraw/zinc/95/73/70/1007957370.db2.gz HNWLHILHBFOINP-NHCUHLMSSA-N 2 2 417.594 3.503 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648508 1007957770 /nfs/dbraw/zinc/95/77/70/1007957770.db2.gz KBLRMJIGBLQBRZ-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648508 1007957773 /nfs/dbraw/zinc/95/77/73/1007957773.db2.gz KBLRMJIGBLQBRZ-PMACEKPBSA-N 2 2 422.411 3.858 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650275 1007962409 /nfs/dbraw/zinc/96/24/09/1007962409.db2.gz VHDTZIBOPFTTAB-RBUKOAKNSA-N 2 2 415.578 3.516 20 0 HHADLP Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650275 1007962425 /nfs/dbraw/zinc/96/24/25/1007962425.db2.gz VHDTZIBOPFTTAB-RBUKOAKNSA-N 2 2 415.578 3.516 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650639 1007963050 /nfs/dbraw/zinc/96/30/50/1007963050.db2.gz DAFYLOZSQGSKFM-SFTDATJTSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650639 1007963055 /nfs/dbraw/zinc/96/30/55/1007963055.db2.gz DAFYLOZSQGSKFM-SFTDATJTSA-N 2 2 407.549 3.693 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672181 1007990892 /nfs/dbraw/zinc/99/08/92/1007990892.db2.gz HMOXLOOQJOHAPU-ZCNNSNEGSA-N 2 2 421.655 3.881 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000533672181 1007990899 /nfs/dbraw/zinc/99/08/99/1007990899.db2.gz HMOXLOOQJOHAPU-ZCNNSNEGSA-N 2 2 421.655 3.881 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000535976056 1008015521 /nfs/dbraw/zinc/01/55/21/1008015521.db2.gz QXXFGYJLQRTNFO-NRFANRHFSA-N 2 2 409.578 3.884 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000535976056 1008015525 /nfs/dbraw/zinc/01/55/25/1008015525.db2.gz QXXFGYJLQRTNFO-NRFANRHFSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517904650 1008049022 /nfs/dbraw/zinc/04/90/22/1008049022.db2.gz SJQNPBRAFOEFCR-HXUWFJFHSA-N 2 2 422.573 3.997 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009313 1008051249 /nfs/dbraw/zinc/05/12/49/1008051249.db2.gz LMSUFARNHXLXKS-DHIUTWEWSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009313 1008051257 /nfs/dbraw/zinc/05/12/57/1008051257.db2.gz LMSUFARNHXLXKS-DHIUTWEWSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009316 1008051502 /nfs/dbraw/zinc/05/15/02/1008051502.db2.gz LMSUFARNHXLXKS-XZOQPEGZSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009316 1008051510 /nfs/dbraw/zinc/05/15/10/1008051510.db2.gz LMSUFARNHXLXKS-XZOQPEGZSA-N 2 2 417.642 3.962 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768213 1008093799 /nfs/dbraw/zinc/09/37/99/1008093799.db2.gz SGFUWHMSBURWRK-JQVVWYNYSA-N 2 2 409.578 3.597 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000533768213 1008093808 /nfs/dbraw/zinc/09/38/08/1008093808.db2.gz SGFUWHMSBURWRK-JQVVWYNYSA-N 2 2 409.578 3.597 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000539949754 1008201332 /nfs/dbraw/zinc/20/13/32/1008201332.db2.gz BFUHWOBQNHZZKE-OAQYLSRUSA-N 2 2 402.970 3.612 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(Cn3ccnc3)c2)CC1 ZINC000539954953 1008204178 /nfs/dbraw/zinc/20/41/78/1008204178.db2.gz IHVXHAXWTWOLLL-UHFFFAOYSA-N 2 2 409.965 3.626 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000539954953 1008204185 /nfs/dbraw/zinc/20/41/85/1008204185.db2.gz IHVXHAXWTWOLLL-UHFFFAOYSA-N 3 2 409.965 3.626 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000539955950 1008204651 /nfs/dbraw/zinc/20/46/51/1008204651.db2.gz QHTUYABBYLMVFZ-UHFFFAOYSA-N 2 2 409.965 3.626 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000539955950 1008204659 /nfs/dbraw/zinc/20/46/59/1008204659.db2.gz QHTUYABBYLMVFZ-UHFFFAOYSA-N 3 2 409.965 3.626 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000533958701 1008233612 /nfs/dbraw/zinc/23/36/12/1008233612.db2.gz SUZBUBNQEVQTQQ-VWNXMTODSA-N 2 2 421.589 3.775 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533958701 1008233615 /nfs/dbraw/zinc/23/36/15/1008233615.db2.gz SUZBUBNQEVQTQQ-VWNXMTODSA-N 2 2 421.589 3.775 20 0 HHADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000540150906 1008312747 /nfs/dbraw/zinc/31/27/47/1008312747.db2.gz ICBGRPLSZHKQBP-AVRDEDQJSA-N 2 2 412.559 3.500 20 0 HHADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCCC2 ZINC000540174043 1008322602 /nfs/dbraw/zinc/32/26/02/1008322602.db2.gz DBMRKGOLVAKEOE-CVDCTZTESA-N 2 2 421.589 3.512 20 0 HHADLP Cc1ccccc1Oc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000518541057 1008342512 /nfs/dbraw/zinc/34/25/12/1008342512.db2.gz QKQYPJKFLSBDEH-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP Cc1ccccc1Oc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000518541057 1008342514 /nfs/dbraw/zinc/34/25/14/1008342514.db2.gz QKQYPJKFLSBDEH-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540308382 1008374902 /nfs/dbraw/zinc/37/49/02/1008374902.db2.gz MUMYVHIMTVHPSK-TZYHBYERSA-N 2 2 415.626 3.684 20 0 HHADLP CCc1cnccc1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540308382 1008374905 /nfs/dbraw/zinc/37/49/05/1008374905.db2.gz MUMYVHIMTVHPSK-TZYHBYERSA-N 2 2 415.626 3.684 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000540317208 1008377291 /nfs/dbraw/zinc/37/72/91/1008377291.db2.gz IHIYSKLADOCVMN-MTNREXPMSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000540317208 1008377292 /nfs/dbraw/zinc/37/72/92/1008377292.db2.gz IHIYSKLADOCVMN-MTNREXPMSA-N 2 2 415.375 3.909 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1)C[C@@H]1CCCCO1 ZINC000540419960 1008425385 /nfs/dbraw/zinc/42/53/85/1008425385.db2.gz OGULNIHJRPPFOG-UGKGYDQZSA-N 2 2 419.635 3.842 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1)C[C@@H]1CCCCO1 ZINC000540419960 1008425388 /nfs/dbraw/zinc/42/53/88/1008425388.db2.gz OGULNIHJRPPFOG-UGKGYDQZSA-N 2 2 419.635 3.842 20 0 HHADLP CCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000540423541 1008427017 /nfs/dbraw/zinc/42/70/17/1008427017.db2.gz AWSKQSGUBLYNCY-FQEVSTJZSA-N 2 2 402.489 3.530 20 0 HHADLP CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000540424461 1008427657 /nfs/dbraw/zinc/42/76/57/1008427657.db2.gz OEURBMUPKMORGG-JOCHJYFZSA-N 2 2 417.500 3.867 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540527616 1008468647 /nfs/dbraw/zinc/46/86/47/1008468647.db2.gz SOIIPFLMQISIHI-VXKWHMMOSA-N 2 2 400.567 3.518 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540527616 1008468649 /nfs/dbraw/zinc/46/86/49/1008468649.db2.gz SOIIPFLMQISIHI-VXKWHMMOSA-N 2 2 400.567 3.518 20 0 HHADLP COc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000519041336 1008508814 /nfs/dbraw/zinc/50/88/14/1008508814.db2.gz MMAUNFNHFGNHDU-FCHUYYIVSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000519041336 1008508818 /nfs/dbraw/zinc/50/88/18/1008508818.db2.gz MMAUNFNHFGNHDU-FCHUYYIVSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519041336 1008508820 /nfs/dbraw/zinc/50/88/20/1008508820.db2.gz MMAUNFNHFGNHDU-FCHUYYIVSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519041336 1008508823 /nfs/dbraw/zinc/50/88/23/1008508823.db2.gz MMAUNFNHFGNHDU-FCHUYYIVSA-N 2 2 402.542 3.835 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441336 1008554329 /nfs/dbraw/zinc/55/43/29/1008554329.db2.gz YBWVKBYAAVPDIU-UKILVPOCSA-N 2 2 414.553 3.788 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[NH+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441336 1008554340 /nfs/dbraw/zinc/55/43/40/1008554340.db2.gz YBWVKBYAAVPDIU-UKILVPOCSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441336 1008554348 /nfs/dbraw/zinc/55/43/48/1008554348.db2.gz YBWVKBYAAVPDIU-UKILVPOCSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441336 1008554362 /nfs/dbraw/zinc/55/43/62/1008554362.db2.gz YBWVKBYAAVPDIU-UKILVPOCSA-N 2 2 414.553 3.788 20 0 HHADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543042879 1008625037 /nfs/dbraw/zinc/62/50/37/1008625037.db2.gz POCHGHGZCPXQMN-HSZRJFAPSA-N 2 2 409.578 3.922 20 0 HHADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543109917 1008682519 /nfs/dbraw/zinc/68/25/19/1008682519.db2.gz BYKJTUDNVWXRMG-UHFFFAOYSA-N 2 2 423.605 3.504 20 0 HHADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549159736 1008729195 /nfs/dbraw/zinc/72/91/95/1008729195.db2.gz ROZBPZGOXCVYIL-XBYSBRQOSA-N 2 2 404.558 3.529 20 0 HHADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549159736 1008729210 /nfs/dbraw/zinc/72/92/10/1008729210.db2.gz ROZBPZGOXCVYIL-XBYSBRQOSA-N 2 2 404.558 3.529 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165467 1008738209 /nfs/dbraw/zinc/73/82/09/1008738209.db2.gz JNGUKFVZICEUNC-NFBKMPQASA-N 2 2 407.558 3.691 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165467 1008738226 /nfs/dbraw/zinc/73/82/26/1008738226.db2.gz JNGUKFVZICEUNC-NFBKMPQASA-N 2 2 407.558 3.691 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000549166627 1008739362 /nfs/dbraw/zinc/73/93/62/1008739362.db2.gz RMFPYEMNMNWWPS-HSZRJFAPSA-N 2 2 415.622 3.732 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000549166627 1008739374 /nfs/dbraw/zinc/73/93/74/1008739374.db2.gz RMFPYEMNMNWWPS-HSZRJFAPSA-N 2 2 415.622 3.732 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000543177630 1008752290 /nfs/dbraw/zinc/75/22/90/1008752290.db2.gz XXFGDXWOGMAZSH-LJQANCHMSA-N 3 2 422.552 3.708 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H](Cc3ccccc3)C3CC3)n2)CC1 ZINC000519477359 1008851351 /nfs/dbraw/zinc/85/13/51/1008851351.db2.gz RVIOUIHGRZMMFH-OAQYLSRUSA-N 2 2 412.603 3.924 20 0 HHADLP O=C(NCCCn1cc[nH+]c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000519501327 1008873147 /nfs/dbraw/zinc/87/31/47/1008873147.db2.gz YPTJCBUNWBBZPF-UHFFFAOYSA-N 2 2 424.376 3.888 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)s1 ZINC000543485383 1009073030 /nfs/dbraw/zinc/07/30/30/1009073030.db2.gz KJYVFHNCZXCBAR-INIZCTEOSA-N 2 2 414.015 3.594 20 0 HHADLP CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000543502734 1009092303 /nfs/dbraw/zinc/09/23/03/1009092303.db2.gz GFUOSSSWTNNGKN-SJORKVTESA-N 2 2 400.592 3.525 20 0 HHADLP Cn1ccc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000543635566 1009239429 /nfs/dbraw/zinc/23/94/29/1009239429.db2.gz IETBGCYZRXURPK-SIKLNZKXSA-N 2 2 410.953 3.810 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819383 1009379910 /nfs/dbraw/zinc/37/99/10/1009379910.db2.gz VSSYMBDSJSYBTR-PNJWGLBASA-N 2 2 407.643 3.623 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819383 1009379913 /nfs/dbraw/zinc/37/99/13/1009379913.db2.gz VSSYMBDSJSYBTR-PNJWGLBASA-N 2 2 407.643 3.623 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000520329846 1009463230 /nfs/dbraw/zinc/46/32/30/1009463230.db2.gz UWNBXXNPOHBLBY-WIYYLYMNSA-N 2 2 412.534 3.631 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n(-c2ccc(F)cc2)n1 ZINC000543989909 1009588301 /nfs/dbraw/zinc/58/83/01/1009588301.db2.gz HNHLMVCBEJQEJD-UHFFFAOYSA-N 2 2 424.524 3.647 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033685 1009629271 /nfs/dbraw/zinc/62/92/71/1009629271.db2.gz MJFJQCCIPUKXDG-QTLCSOKXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033685 1009629277 /nfs/dbraw/zinc/62/92/77/1009629277.db2.gz MJFJQCCIPUKXDG-QTLCSOKXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033685 1009629279 /nfs/dbraw/zinc/62/92/79/1009629279.db2.gz MJFJQCCIPUKXDG-QTLCSOKXSA-N 2 2 410.965 3.739 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000550033685 1009629283 /nfs/dbraw/zinc/62/92/83/1009629283.db2.gz MJFJQCCIPUKXDG-QTLCSOKXSA-N 2 2 410.965 3.739 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000546619244 1009632521 /nfs/dbraw/zinc/63/25/21/1009632521.db2.gz UGOLNKHNVAPJHC-UHFFFAOYSA-N 2 2 416.562 3.624 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544034734 1009635718 /nfs/dbraw/zinc/63/57/18/1009635718.db2.gz LJYGXDYSQRRHNL-QZTJIDSGSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544034734 1009635724 /nfs/dbraw/zinc/63/57/24/1009635724.db2.gz LJYGXDYSQRRHNL-QZTJIDSGSA-N 2 2 412.500 3.510 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036021 1009636592 /nfs/dbraw/zinc/63/65/92/1009636592.db2.gz GKZJXXSRDYXCPW-VXKWHMMOSA-N 2 2 419.635 3.583 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036021 1009636601 /nfs/dbraw/zinc/63/66/01/1009636601.db2.gz GKZJXXSRDYXCPW-VXKWHMMOSA-N 2 2 419.635 3.583 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873414 1009834966 /nfs/dbraw/zinc/83/49/66/1009834966.db2.gz VBIMOPXKNLQQKE-YADHBBJMSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873414 1009834977 /nfs/dbraw/zinc/83/49/77/1009834977.db2.gz VBIMOPXKNLQQKE-YADHBBJMSA-N 2 2 414.981 3.551 20 0 HHADLP CSc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550290241 1009835768 /nfs/dbraw/zinc/83/57/68/1009835768.db2.gz CMHSRPDKHJRPSO-LJQANCHMSA-N 2 2 421.404 3.680 20 0 HHADLP CSc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550290241 1009835788 /nfs/dbraw/zinc/83/57/88/1009835788.db2.gz CMHSRPDKHJRPSO-LJQANCHMSA-N 2 2 421.404 3.680 20 0 HHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000550293818 1009840582 /nfs/dbraw/zinc/84/05/82/1009840582.db2.gz SISBBAJBICNKBZ-SFHVURJKSA-N 2 2 413.528 3.759 20 0 HHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550293818 1009840599 /nfs/dbraw/zinc/84/05/99/1009840599.db2.gz SISBBAJBICNKBZ-SFHVURJKSA-N 2 2 413.528 3.759 20 0 HHADLP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000550328134 1009864761 /nfs/dbraw/zinc/86/47/61/1009864761.db2.gz NAQUCFOTQZXFTD-UHFFFAOYSA-N 2 2 406.534 3.687 20 0 HHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550393909 1009903833 /nfs/dbraw/zinc/90/38/33/1009903833.db2.gz PSRDCMKOAMWDTD-JWTNVVGKSA-N 2 2 400.519 3.683 20 0 HHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550393909 1009903843 /nfs/dbraw/zinc/90/38/43/1009903843.db2.gz PSRDCMKOAMWDTD-JWTNVVGKSA-N 2 2 400.519 3.683 20 0 HHADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000550393909 1009903857 /nfs/dbraw/zinc/90/38/57/1009903857.db2.gz PSRDCMKOAMWDTD-JWTNVVGKSA-N 2 2 400.519 3.683 20 0 HHADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000550393909 1009903866 /nfs/dbraw/zinc/90/38/66/1009903866.db2.gz PSRDCMKOAMWDTD-JWTNVVGKSA-N 2 2 400.519 3.683 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360095 1009987453 /nfs/dbraw/zinc/98/74/53/1009987453.db2.gz SLGUHGIRKMNCSO-ISKFKSNPSA-N 2 2 403.526 3.856 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360095 1009987467 /nfs/dbraw/zinc/98/74/67/1009987467.db2.gz SLGUHGIRKMNCSO-ISKFKSNPSA-N 2 2 403.526 3.856 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cccnc3)c3ccc(F)cc3F)cn2)CC1 ZINC000544363080 1009990234 /nfs/dbraw/zinc/99/02/34/1009990234.db2.gz KOOCPCXYNJJGQC-DEOSSOPVSA-N 2 2 423.511 3.776 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)c2)cc[nH+]1 ZINC000544508382 1010130231 /nfs/dbraw/zinc/13/02/31/1010130231.db2.gz LXQGKZTYBYFFFW-QZTJIDSGSA-N 2 2 409.578 3.883 20 0 HHADLP Cc1ccc([C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CCC2)o1 ZINC000544579877 1010207185 /nfs/dbraw/zinc/20/71/85/1010207185.db2.gz XJCXIWAGRZBOHQ-XMMPIXPASA-N 2 2 411.546 3.880 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000521174860 1010207467 /nfs/dbraw/zinc/20/74/67/1010207467.db2.gz QQYAUPCEDFIMAA-GOSISDBHSA-N 2 2 421.520 3.736 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000521174860 1010207481 /nfs/dbraw/zinc/20/74/81/1010207481.db2.gz QQYAUPCEDFIMAA-GOSISDBHSA-N 2 2 421.520 3.736 20 0 HHADLP CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521197379 1010224942 /nfs/dbraw/zinc/22/49/42/1010224942.db2.gz JCMGLNDOIVELPB-DEOSSOPVSA-N 2 2 409.574 3.608 20 0 HHADLP CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521197379 1010224952 /nfs/dbraw/zinc/22/49/52/1010224952.db2.gz JCMGLNDOIVELPB-DEOSSOPVSA-N 2 2 409.574 3.608 20 0 HHADLP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000550917475 1010255688 /nfs/dbraw/zinc/25/56/88/1010255688.db2.gz PNKFRTGRYMEFNH-QHCPKHFHSA-N 2 2 408.030 3.683 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960619 1010281435 /nfs/dbraw/zinc/28/14/35/1010281435.db2.gz GVWYQGVDBNGDPR-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000550960619 1010281449 /nfs/dbraw/zinc/28/14/49/1010281449.db2.gz GVWYQGVDBNGDPR-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511428 1010334586 /nfs/dbraw/zinc/33/45/86/1010334586.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511428 1010334590 /nfs/dbraw/zinc/33/45/90/1010334590.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155802 1010547429 /nfs/dbraw/zinc/54/74/29/1010547429.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155802 1010547441 /nfs/dbraw/zinc/54/74/41/1010547441.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155802 1010547451 /nfs/dbraw/zinc/54/74/51/1010547451.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155802 1010547463 /nfs/dbraw/zinc/54/74/63/1010547463.db2.gz FPTKCINGKTWORH-UFPGJGBJSA-N 3 2 407.602 3.908 20 0 HHADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C12CCC[NH+]1CCC2 ZINC000548420273 1010621244 /nfs/dbraw/zinc/62/12/44/1010621244.db2.gz XAJBETIHGBTSFZ-UHFFFAOYSA-N 2 2 400.526 3.843 20 0 HHADLP CCCCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000551529117 1010641037 /nfs/dbraw/zinc/64/10/37/1010641037.db2.gz BMXZMPZVNQIOFZ-HXUWFJFHSA-N 2 2 410.562 3.650 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484504 1010642774 /nfs/dbraw/zinc/64/27/74/1010642774.db2.gz GQABLTUGRRKTJX-FGZHOGPDSA-N 2 2 418.582 3.505 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484504 1010642779 /nfs/dbraw/zinc/64/27/79/1010642779.db2.gz GQABLTUGRRKTJX-FGZHOGPDSA-N 2 2 418.582 3.505 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1 ZINC000551556735 1010658830 /nfs/dbraw/zinc/65/88/30/1010658830.db2.gz UXOMWCDZRQJAMW-YOEHRIQHSA-N 2 2 409.368 3.978 20 0 HHADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1 ZINC000551556735 1010658835 /nfs/dbraw/zinc/65/88/35/1010658835.db2.gz UXOMWCDZRQJAMW-YOEHRIQHSA-N 2 2 409.368 3.978 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)CC1 ZINC000551561475 1010662338 /nfs/dbraw/zinc/66/23/38/1010662338.db2.gz RLKZMCQJYOGMJA-UHFFFAOYSA-N 2 2 411.443 3.762 20 0 HHADLP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545209198 1010684862 /nfs/dbraw/zinc/68/48/62/1010684862.db2.gz BFOLCQNERXDHSD-QGZVFWFLSA-N 2 2 411.384 3.777 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551644562 1010717730 /nfs/dbraw/zinc/71/77/30/1010717730.db2.gz PYNPAVCPWIVALL-MGPUTAFESA-N 2 2 419.932 3.504 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551644562 1010717738 /nfs/dbraw/zinc/71/77/38/1010717738.db2.gz PYNPAVCPWIVALL-MGPUTAFESA-N 2 2 419.932 3.504 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)CC1 ZINC000522114705 1010819691 /nfs/dbraw/zinc/81/96/91/1010819691.db2.gz QKXQUORXJGBRRQ-IBGZPJMESA-N 2 2 423.026 3.735 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000522292049 1010910206 /nfs/dbraw/zinc/91/02/06/1010910206.db2.gz FFWANKTUUYDNBI-PMACEKPBSA-N 2 2 409.578 3.599 20 0 HHADLP CC(C)N(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000522408461 1010988584 /nfs/dbraw/zinc/98/85/84/1010988584.db2.gz FMLMOXRPRCRKDT-UHFFFAOYSA-N 2 2 407.002 3.819 20 0 HHADLP Cc1cc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904438 1011348854 /nfs/dbraw/zinc/34/88/54/1011348854.db2.gz SRUPNGXBNIILGU-MZKRTTBSSA-N 2 2 417.594 3.542 20 0 HHADLP Cc1cc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904438 1011348866 /nfs/dbraw/zinc/34/88/66/1011348866.db2.gz SRUPNGXBNIILGU-MZKRTTBSSA-N 2 2 417.594 3.542 20 0 HHADLP Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904437 1011349537 /nfs/dbraw/zinc/34/95/37/1011349537.db2.gz SRUPNGXBNIILGU-JTAQYXEDSA-N 2 2 417.594 3.542 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)cc1 ZINC000536299743 1011488241 /nfs/dbraw/zinc/48/82/41/1011488241.db2.gz TYUMEBBHYFQKRA-UYAOXDASSA-N 2 2 401.942 3.672 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@H]1c1ccc(Cl)cc1 ZINC000536299743 1011488253 /nfs/dbraw/zinc/48/82/53/1011488253.db2.gz TYUMEBBHYFQKRA-UYAOXDASSA-N 2 2 401.942 3.672 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540926155 1011590162 /nfs/dbraw/zinc/59/01/62/1011590162.db2.gz UDAWARCBQCTYLY-CTNGQTDRSA-N 2 2 404.917 3.652 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540926155 1011590179 /nfs/dbraw/zinc/59/01/79/1011590179.db2.gz UDAWARCBQCTYLY-CTNGQTDRSA-N 2 2 404.917 3.652 20 0 HHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523145152 1011619002 /nfs/dbraw/zinc/61/90/02/1011619002.db2.gz RAAVXNPXCAEOHZ-QHCPKHFHSA-N 2 2 407.558 3.678 20 0 HHADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523145152 1011619013 /nfs/dbraw/zinc/61/90/13/1011619013.db2.gz RAAVXNPXCAEOHZ-QHCPKHFHSA-N 2 2 407.558 3.678 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 ZINC000541022983 1011658148 /nfs/dbraw/zinc/65/81/48/1011658148.db2.gz KCARELYDGTUZJK-INIZCTEOSA-N 2 2 417.513 3.595 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536450536 1011667974 /nfs/dbraw/zinc/66/79/74/1011667974.db2.gz RILTVJAFBMAITP-SFTDATJTSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536450536 1011667983 /nfs/dbraw/zinc/66/79/83/1011667983.db2.gz RILTVJAFBMAITP-SFTDATJTSA-N 2 2 402.583 3.805 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000536656775 1011804251 /nfs/dbraw/zinc/80/42/51/1011804251.db2.gz ZWCHQPDFBXKART-UHFFFAOYSA-N 2 2 418.651 3.957 20 0 HHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000536682859 1011845651 /nfs/dbraw/zinc/84/56/51/1011845651.db2.gz VPTPFBUWNYECOK-UHFFFAOYSA-N 2 2 407.352 3.988 20 0 HHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000536682859 1011845665 /nfs/dbraw/zinc/84/56/65/1011845665.db2.gz VPTPFBUWNYECOK-UHFFFAOYSA-N 2 2 407.352 3.988 20 0 HHADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203425 1011872632 /nfs/dbraw/zinc/87/26/32/1011872632.db2.gz XDRFBWUDDSXDQQ-IBGZPJMESA-N 2 2 422.367 3.578 20 0 HHADLP CCN(C(C)=O)c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000536703072 1011873306 /nfs/dbraw/zinc/87/33/06/1011873306.db2.gz LOFCBBDBCAZHBL-UHFFFAOYSA-N 2 2 401.580 3.649 20 0 HHADLP CCN(C(C)=O)c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000536703072 1011873318 /nfs/dbraw/zinc/87/33/18/1011873318.db2.gz LOFCBBDBCAZHBL-UHFFFAOYSA-N 2 2 401.580 3.649 20 0 HHADLP CC(C)n1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000541212682 1011884036 /nfs/dbraw/zinc/88/40/36/1011884036.db2.gz VOJNTGNKAARWNZ-LJQANCHMSA-N 2 2 404.002 3.850 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000523413103 1011893344 /nfs/dbraw/zinc/89/33/44/1011893344.db2.gz CCRNJCVHXYFXLH-IBGZPJMESA-N 2 2 406.640 3.792 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000523413103 1011893363 /nfs/dbraw/zinc/89/33/63/1011893363.db2.gz CCRNJCVHXYFXLH-IBGZPJMESA-N 2 2 406.640 3.792 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OCC[NH+](C)C)c3)CC2)s1 ZINC000523422138 1011908041 /nfs/dbraw/zinc/90/80/41/1011908041.db2.gz DXJHZJLHYPUUAJ-UHFFFAOYSA-N 2 2 416.591 3.601 20 0 HHADLP Cc1ccc([C@H]2CCCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000523430268 1011918520 /nfs/dbraw/zinc/91/85/20/1011918520.db2.gz XDAHQKFCABZQRO-OAQYLSRUSA-N 2 2 402.583 3.773 20 0 HHADLP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449562 1011947773 /nfs/dbraw/zinc/94/77/73/1011947773.db2.gz NRIPEXIUMLAOIK-BWKNWUBXSA-N 2 2 406.574 3.902 20 0 HHADLP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000523449562 1011947782 /nfs/dbraw/zinc/94/77/82/1011947782.db2.gz NRIPEXIUMLAOIK-BWKNWUBXSA-N 2 2 406.574 3.902 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)([NH+]2CCCCC2)CC1 ZINC000536768014 1011969619 /nfs/dbraw/zinc/96/96/19/1011969619.db2.gz LFUWZPMPGFGUDY-UHFFFAOYSA-N 2 2 420.508 3.572 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000536799950 1012020321 /nfs/dbraw/zinc/02/03/21/1012020321.db2.gz GPIVHIXUBYUXED-UHFFFAOYSA-N 2 2 407.562 3.698 20 0 HHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351771 1012065151 /nfs/dbraw/zinc/06/51/51/1012065151.db2.gz WVDVGUQEAXXOCQ-FPOVZHCZSA-N 2 2 419.491 3.556 20 0 HHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351771 1012065169 /nfs/dbraw/zinc/06/51/69/1012065169.db2.gz WVDVGUQEAXXOCQ-FPOVZHCZSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351771 1012065173 /nfs/dbraw/zinc/06/51/73/1012065173.db2.gz WVDVGUQEAXXOCQ-FPOVZHCZSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351771 1012065190 /nfs/dbraw/zinc/06/51/90/1012065190.db2.gz WVDVGUQEAXXOCQ-FPOVZHCZSA-N 2 2 419.491 3.556 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876424 1012119297 /nfs/dbraw/zinc/11/92/97/1012119297.db2.gz MOZADSXNZBQWEY-CYFREDJKSA-N 2 2 418.541 3.605 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876424 1012119311 /nfs/dbraw/zinc/11/93/11/1012119311.db2.gz MOZADSXNZBQWEY-CYFREDJKSA-N 2 2 418.541 3.605 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000541535442 1012319444 /nfs/dbraw/zinc/31/94/44/1012319444.db2.gz XYLUZSVQBVXMRK-QGZVFWFLSA-N 2 2 423.948 3.505 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000541535442 1012319455 /nfs/dbraw/zinc/31/94/55/1012319455.db2.gz XYLUZSVQBVXMRK-QGZVFWFLSA-N 2 2 423.948 3.505 20 0 HHADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000541547427 1012334020 /nfs/dbraw/zinc/33/40/20/1012334020.db2.gz INZQQHHMBBJNKK-RUZDIDTESA-N 2 2 404.558 3.657 20 0 HHADLP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552339665 1012351474 /nfs/dbraw/zinc/35/14/74/1012351474.db2.gz CUDIJASBCRAHJX-QEQBWNDLSA-N 2 2 413.606 3.636 20 0 HHADLP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552339665 1012351485 /nfs/dbraw/zinc/35/14/85/1012351485.db2.gz CUDIJASBCRAHJX-QEQBWNDLSA-N 2 2 413.606 3.636 20 0 HHADLP CCOc1ccc([C@@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1OCC ZINC000552340456 1012353132 /nfs/dbraw/zinc/35/31/32/1012353132.db2.gz VOKCJSDPMQABBD-OTYNDTSQSA-N 2 2 417.594 3.608 20 0 HHADLP CCOc1ccc([C@@H](CC)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1OCC ZINC000552340456 1012353147 /nfs/dbraw/zinc/35/31/47/1012353147.db2.gz VOKCJSDPMQABBD-OTYNDTSQSA-N 2 2 417.594 3.608 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1OC(F)F ZINC000537042847 1012362856 /nfs/dbraw/zinc/36/28/56/1012362856.db2.gz JIKDMAMTPFMINY-ROUUACIJSA-N 2 2 417.500 3.844 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000537045448 1012365497 /nfs/dbraw/zinc/36/54/97/1012365497.db2.gz OEAMHGIWWIVNIR-OAHLLOKOSA-N 2 2 422.392 3.506 20 0 HHADLP CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000537050658 1012375940 /nfs/dbraw/zinc/37/59/40/1012375940.db2.gz ULFHWYDJNDVVHF-JOCHJYFZSA-N 2 2 411.546 3.597 20 0 HHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599442 1012392563 /nfs/dbraw/zinc/39/25/63/1012392563.db2.gz MTQGBWULNGOIGY-CABCVRRESA-N 2 2 409.368 3.963 20 0 HHADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599442 1012392579 /nfs/dbraw/zinc/39/25/79/1012392579.db2.gz MTQGBWULNGOIGY-CABCVRRESA-N 2 2 409.368 3.963 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2)cc[nH+]1 ZINC000541638103 1012454297 /nfs/dbraw/zinc/45/42/97/1012454297.db2.gz JNPZIIAQHVSVEX-UHFFFAOYSA-N 2 2 415.541 3.923 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000541661196 1012489168 /nfs/dbraw/zinc/48/91/68/1012489168.db2.gz YATWTOAGTITUTQ-GOEBONIOSA-N 2 2 421.010 3.975 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000541728217 1012578936 /nfs/dbraw/zinc/57/89/36/1012578936.db2.gz JUXPTNHUESRTCF-GOSISDBHSA-N 2 2 403.530 3.647 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000541728217 1012578949 /nfs/dbraw/zinc/57/89/49/1012578949.db2.gz JUXPTNHUESRTCF-GOSISDBHSA-N 2 2 403.530 3.647 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000523905401 1012620700 /nfs/dbraw/zinc/62/07/00/1012620700.db2.gz OMHGMNYFCIMQMO-LJQANCHMSA-N 2 2 403.530 3.897 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537227666 1012659064 /nfs/dbraw/zinc/65/90/64/1012659064.db2.gz HCOHNZHOWUIPFX-MSOLQXFVSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537227666 1012659080 /nfs/dbraw/zinc/65/90/80/1012659080.db2.gz HCOHNZHOWUIPFX-MSOLQXFVSA-N 2 2 405.612 3.821 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000523940375 1012674716 /nfs/dbraw/zinc/67/47/16/1012674716.db2.gz JHWXSYUBCAWBQE-VQTJNVASSA-N 2 2 418.969 3.980 20 0 HHADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000541985020 1012860408 /nfs/dbraw/zinc/86/04/08/1012860408.db2.gz VNDDSJDVJPGZHA-PMACEKPBSA-N 2 2 422.635 3.580 20 0 HHADLP Cc1nc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c2c([nH+]1)CCCC2 ZINC000542007360 1012889341 /nfs/dbraw/zinc/88/93/41/1012889341.db2.gz UTBSURKHLDKXRF-UHFFFAOYSA-N 2 2 410.562 3.766 20 0 HHADLP Cc1nc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c2c([nH+]1)CCCC2 ZINC000542007360 1012889357 /nfs/dbraw/zinc/88/93/57/1012889357.db2.gz UTBSURKHLDKXRF-UHFFFAOYSA-N 2 2 410.562 3.766 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042796 1012945395 /nfs/dbraw/zinc/94/53/95/1012945395.db2.gz MBBMXUQKPFBEGV-IELPYKJLSA-N 2 2 424.511 3.554 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042796 1012945401 /nfs/dbraw/zinc/94/54/01/1012945401.db2.gz MBBMXUQKPFBEGV-IELPYKJLSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042796 1012945416 /nfs/dbraw/zinc/94/54/16/1012945416.db2.gz MBBMXUQKPFBEGV-IELPYKJLSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042796 1012945426 /nfs/dbraw/zinc/94/54/26/1012945426.db2.gz MBBMXUQKPFBEGV-IELPYKJLSA-N 2 2 424.511 3.554 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684461 1071802464 /nfs/dbraw/zinc/80/24/64/1071802464.db2.gz QMEQEOAHTDNJOX-LADGPHEKSA-N 2 2 418.541 3.501 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684461 1071802468 /nfs/dbraw/zinc/80/24/68/1071802468.db2.gz QMEQEOAHTDNJOX-LADGPHEKSA-N 2 2 418.541 3.501 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270969 1072015975 /nfs/dbraw/zinc/01/59/75/1072015975.db2.gz APHWYXXYMWYBEZ-FYYLOGMGSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([N@H+]1CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270969 1072015986 /nfs/dbraw/zinc/01/59/86/1072015986.db2.gz APHWYXXYMWYBEZ-FYYLOGMGSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270969 1072015996 /nfs/dbraw/zinc/01/59/96/1072015996.db2.gz APHWYXXYMWYBEZ-FYYLOGMGSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270969 1072016007 /nfs/dbraw/zinc/01/60/07/1072016007.db2.gz APHWYXXYMWYBEZ-FYYLOGMGSA-N 2 2 413.512 3.791 20 0 HHADLP COc1cccc([C@@H](CNC(=O)OC(C)(C)C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168372067 1072034008 /nfs/dbraw/zinc/03/40/08/1072034008.db2.gz SNICUBVSOOBYBT-OAQYLSRUSA-N 2 2 403.567 3.725 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006046 1072543805 /nfs/dbraw/zinc/54/38/05/1072543805.db2.gz YESLSPGMQYDNGO-QZTJIDSGSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006046 1072543809 /nfs/dbraw/zinc/54/38/09/1072543809.db2.gz YESLSPGMQYDNGO-QZTJIDSGSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006046 1072543812 /nfs/dbraw/zinc/54/38/12/1072543812.db2.gz YESLSPGMQYDNGO-QZTJIDSGSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006046 1072543818 /nfs/dbraw/zinc/54/38/18/1072543818.db2.gz YESLSPGMQYDNGO-QZTJIDSGSA-N 2 2 403.567 3.654 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)C1 ZINC000479422021 1072821573 /nfs/dbraw/zinc/82/15/73/1072821573.db2.gz OFZWQAQOLHXSTP-RBBKRZOGSA-N 2 2 402.546 3.897 20 0 HHADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1-c1ccc(F)cc1 ZINC000588231435 1072927224 /nfs/dbraw/zinc/92/72/24/1072927224.db2.gz JUOFMHZDCSCPKF-UHFFFAOYSA-N 2 2 403.567 3.961 20 0 HHADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1-c1ccc(F)cc1 ZINC000588231435 1072927226 /nfs/dbraw/zinc/92/72/26/1072927226.db2.gz JUOFMHZDCSCPKF-UHFFFAOYSA-N 2 2 403.567 3.961 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000554944117 1072993651 /nfs/dbraw/zinc/99/36/51/1072993651.db2.gz JZLPSUVGWVHJFC-FGZHOGPDSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1nccn1-c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000554944117 1072993654 /nfs/dbraw/zinc/99/36/54/1072993654.db2.gz JZLPSUVGWVHJFC-FGZHOGPDSA-N 2 2 424.593 3.673 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000554959954 1073013076 /nfs/dbraw/zinc/01/30/76/1073013076.db2.gz DZVROCNHKFSKDM-NRFANRHFSA-N 2 2 415.484 3.703 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000590008230 1073447479 /nfs/dbraw/zinc/44/74/79/1073447479.db2.gz UZOXFIIKWPJPNN-REHUZNOOSA-N 2 2 409.574 3.605 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000590008230 1073447488 /nfs/dbraw/zinc/44/74/88/1073447488.db2.gz UZOXFIIKWPJPNN-REHUZNOOSA-N 2 2 409.574 3.605 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600048319 1073449445 /nfs/dbraw/zinc/44/94/45/1073449445.db2.gz JURNZUFMIHOCBY-NRFANRHFSA-N 2 2 421.585 3.801 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590152250 1073594469 /nfs/dbraw/zinc/59/44/69/1073594469.db2.gz ZZSVZDMZUXXQJR-KRWDZBQOSA-N 2 2 401.942 3.617 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598186 1073663961 /nfs/dbraw/zinc/66/39/61/1073663961.db2.gz TYIKBAHBHPNXBG-XMMPIXPASA-N 2 2 401.570 3.905 20 0 HHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598186 1073663969 /nfs/dbraw/zinc/66/39/69/1073663969.db2.gz TYIKBAHBHPNXBG-XMMPIXPASA-N 2 2 401.570 3.905 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598186 1073663981 /nfs/dbraw/zinc/66/39/81/1073663981.db2.gz TYIKBAHBHPNXBG-XMMPIXPASA-N 2 2 401.570 3.905 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)C2)C1 ZINC000555598186 1073663987 /nfs/dbraw/zinc/66/39/87/1073663987.db2.gz TYIKBAHBHPNXBG-XMMPIXPASA-N 2 2 401.570 3.905 20 0 HHADLP O=C(N1CCC[C@H](n2cc[nH+]c2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000590728194 1073978079 /nfs/dbraw/zinc/97/80/79/1073978079.db2.gz RXXNTVILIMVDOK-ICSRJNTNSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC[C@H](n2cc[nH+]c2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000590728194 1073978085 /nfs/dbraw/zinc/97/80/85/1073978085.db2.gz RXXNTVILIMVDOK-ICSRJNTNSA-N 2 2 406.452 3.501 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590846043 1074015305 /nfs/dbraw/zinc/01/53/05/1074015305.db2.gz COBAAXXSCBJDDI-PXNSSMCTSA-N 2 2 403.958 3.966 20 0 HHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251631 1074187810 /nfs/dbraw/zinc/18/78/10/1074187810.db2.gz KEMULTXEQLBWSD-REWPJTCUSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000591251631 1074187812 /nfs/dbraw/zinc/18/78/12/1074187812.db2.gz KEMULTXEQLBWSD-REWPJTCUSA-N 2 2 407.558 3.931 20 0 HHADLP CC(C)[C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000591523497 1074365875 /nfs/dbraw/zinc/36/58/75/1074365875.db2.gz OYXLIUYMCQTJGE-NFBKMPQASA-N 2 2 416.610 3.958 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292605 1075189974 /nfs/dbraw/zinc/18/99/74/1075189974.db2.gz JAIFQHQSKSYPRM-XMSQKQJNSA-N 2 2 406.530 3.729 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292605 1075189977 /nfs/dbraw/zinc/18/99/77/1075189977.db2.gz JAIFQHQSKSYPRM-XMSQKQJNSA-N 2 2 406.530 3.729 20 0 HHADLP CN(C(=O)c1cccc(OCc2cccs2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472289 1075617752 /nfs/dbraw/zinc/61/77/52/1075617752.db2.gz GXXLAWJKLLIFFP-FQEVSTJZSA-N 2 2 413.587 3.568 20 0 HHADLP CN(C(=O)c1cccc(OCc2cccs2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472289 1075617753 /nfs/dbraw/zinc/61/77/53/1075617753.db2.gz GXXLAWJKLLIFFP-FQEVSTJZSA-N 2 2 413.587 3.568 20 0 HHADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OCCC ZINC000601479394 1075620922 /nfs/dbraw/zinc/62/09/22/1075620922.db2.gz YJVRYJMJTNMHHN-OAQYLSRUSA-N 2 2 417.594 3.505 20 0 HHADLP CCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OCCC ZINC000601479394 1075620924 /nfs/dbraw/zinc/62/09/24/1075620924.db2.gz YJVRYJMJTNMHHN-OAQYLSRUSA-N 2 2 417.594 3.505 20 0 HHADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164659689 719352723 /nfs/dbraw/zinc/35/27/23/719352723.db2.gz RSPLXXSBPDUVCQ-UHFFFAOYSA-N 2 2 416.573 3.543 20 0 HHADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164659689 719352724 /nfs/dbraw/zinc/35/27/24/719352724.db2.gz RSPLXXSBPDUVCQ-UHFFFAOYSA-N 2 2 416.573 3.543 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692431 719808722 /nfs/dbraw/zinc/80/87/22/719808722.db2.gz GSKGRUWOXWUDLN-UHFFFAOYSA-N 2 2 414.575 3.885 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692431 719808723 /nfs/dbraw/zinc/80/87/23/719808723.db2.gz GSKGRUWOXWUDLN-UHFFFAOYSA-N 2 2 414.575 3.885 20 0 HHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164714717 720140938 /nfs/dbraw/zinc/14/09/38/720140938.db2.gz YHGHTZYPKGKBIT-OAQYLSRUSA-N 2 2 409.578 3.811 20 0 HHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164714717 720140942 /nfs/dbraw/zinc/14/09/42/720140942.db2.gz YHGHTZYPKGKBIT-OAQYLSRUSA-N 2 2 409.578 3.811 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740223 720826188 /nfs/dbraw/zinc/82/61/88/720826188.db2.gz JPVCKQZDWQMVKA-TXTKFYIRSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc12 ZINC001164740223 720826189 /nfs/dbraw/zinc/82/61/89/720826189.db2.gz JPVCKQZDWQMVKA-TXTKFYIRSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)[nH+]c(C)n3)C2)C1 ZINC001164776373 721335767 /nfs/dbraw/zinc/33/57/67/721335767.db2.gz FDWPTAPRSPJENF-QHCPKHFHSA-N 2 2 413.566 3.632 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(C)C)[nH+]c(C)n3)C2)C1 ZINC001164776373 721335772 /nfs/dbraw/zinc/33/57/72/721335772.db2.gz FDWPTAPRSPJENF-QHCPKHFHSA-N 2 2 413.566 3.632 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1N1CCCC1 ZINC001165024010 721798209 /nfs/dbraw/zinc/79/82/09/721798209.db2.gz KQMTYYCHKNCPLE-KSEOMHKRSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1N1CCCC1 ZINC001165024010 721798212 /nfs/dbraw/zinc/79/82/12/721798212.db2.gz KQMTYYCHKNCPLE-KSEOMHKRSA-N 2 2 406.578 3.517 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc[nH+]2)C1 ZINC001164962756 722023741 /nfs/dbraw/zinc/02/37/41/722023741.db2.gz RVLZLCXBTXJZAM-FQEVSTJZSA-N 2 2 406.578 3.600 20 0 HHADLP C[C@H]1CCCN(c2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc[nH+]2)C1 ZINC001164962756 722023745 /nfs/dbraw/zinc/02/37/45/722023745.db2.gz RVLZLCXBTXJZAM-FQEVSTJZSA-N 2 2 406.578 3.600 20 0 HHADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301213055 970812099 /nfs/dbraw/zinc/81/20/99/970812099.db2.gz YFCZVXZNNPOWBK-MRXNPFEDSA-N 2 2 403.368 3.604 20 0 HHADLP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301213055 970812107 /nfs/dbraw/zinc/81/21/07/970812107.db2.gz YFCZVXZNNPOWBK-MRXNPFEDSA-N 2 2 403.368 3.604 20 0 HHADLP CCc1cc(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301797651 971068539 /nfs/dbraw/zinc/06/85/39/971068539.db2.gz QRGFIKTZMFQAHT-IBGZPJMESA-N 2 2 418.545 3.505 20 0 HHADLP CCc1cc(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc2[nH+]1 ZINC000301797651 971068550 /nfs/dbraw/zinc/06/85/50/971068550.db2.gz QRGFIKTZMFQAHT-IBGZPJMESA-N 2 2 418.545 3.505 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)nc[nH+]3)cc2)CC1 ZINC000302099624 971176114 /nfs/dbraw/zinc/17/61/14/971176114.db2.gz KUPPVLAWGAKDDB-JOCHJYFZSA-N 2 2 409.578 3.672 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNc3cc(N4CCCC[C@@H]4CO)[nH+]cn3)cc2)CC1 ZINC000302099624 971176119 /nfs/dbraw/zinc/17/61/19/971176119.db2.gz KUPPVLAWGAKDDB-JOCHJYFZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302773581 971314245 /nfs/dbraw/zinc/31/42/45/971314245.db2.gz DFPDLIIHHGZDGT-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302773581 971314249 /nfs/dbraw/zinc/31/42/49/971314249.db2.gz DFPDLIIHHGZDGT-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302773581 971314255 /nfs/dbraw/zinc/31/42/55/971314255.db2.gz DFPDLIIHHGZDGT-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302773581 971314260 /nfs/dbraw/zinc/31/42/60/971314260.db2.gz DFPDLIIHHGZDGT-UGKGYDQZSA-N 2 2 409.578 3.814 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000302891679 971375076 /nfs/dbraw/zinc/37/50/76/971375076.db2.gz GEYDPTUSFGWUDK-QFIPXVFZSA-N 2 2 410.562 3.642 20 0 HHADLP Clc1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000302968734 971425654 /nfs/dbraw/zinc/42/56/54/971425654.db2.gz ASHBORSYLOJJHL-FQEVSTJZSA-N 2 2 414.981 3.648 20 0 HHADLP Clc1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000302968734 971425665 /nfs/dbraw/zinc/42/56/65/971425665.db2.gz ASHBORSYLOJJHL-FQEVSTJZSA-N 2 2 414.981 3.648 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610071 971897506 /nfs/dbraw/zinc/89/75/06/971897506.db2.gz LFSYYHIEVXUBHM-FPOVZHCZSA-N 2 2 419.585 3.625 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1F ZINC000303610071 971897510 /nfs/dbraw/zinc/89/75/10/971897510.db2.gz LFSYYHIEVXUBHM-FPOVZHCZSA-N 2 2 419.585 3.625 20 0 HHADLP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(OCCC)c1 ZINC000537621442 1013167282 /nfs/dbraw/zinc/16/72/82/1013167282.db2.gz QBKFAIPCKAAJOQ-OFNKIYASSA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(OCCC)c1 ZINC000537621442 1013167297 /nfs/dbraw/zinc/16/72/97/1013167297.db2.gz QBKFAIPCKAAJOQ-OFNKIYASSA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(OCCC)c1 ZINC000537621440 1013167799 /nfs/dbraw/zinc/16/77/99/1013167799.db2.gz QBKFAIPCKAAJOQ-NFBKMPQASA-N 2 2 403.611 3.722 20 0 HHADLP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(OCCC)c1 ZINC000537621440 1013167806 /nfs/dbraw/zinc/16/78/06/1013167806.db2.gz QBKFAIPCKAAJOQ-NFBKMPQASA-N 2 2 403.611 3.722 20 0 HHADLP CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629681 1013182617 /nfs/dbraw/zinc/18/26/17/1013182617.db2.gz UZHFQTAJKNKEIY-UHFFFAOYSA-N 2 2 421.593 3.989 20 0 HHADLP CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629681 1013182622 /nfs/dbraw/zinc/18/26/22/1013182622.db2.gz UZHFQTAJKNKEIY-UHFFFAOYSA-N 2 2 421.593 3.989 20 0 HHADLP Cc1cc(C)cc(C2=CC[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000537684295 1013246355 /nfs/dbraw/zinc/24/63/55/1013246355.db2.gz WLFOLHJYFTXWGQ-UHFFFAOYSA-N 2 2 404.558 3.526 20 0 HHADLP Cc1cc(C)cc(C2=CC[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000537684295 1013246365 /nfs/dbraw/zinc/24/63/65/1013246365.db2.gz WLFOLHJYFTXWGQ-UHFFFAOYSA-N 2 2 404.558 3.526 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OCC3CC3)nc2)CC1 ZINC000537752480 1013314881 /nfs/dbraw/zinc/31/48/81/1013314881.db2.gz QBRFBILCYTXGHI-UHFFFAOYSA-N 2 2 400.954 3.565 20 0 HHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000537777494 1013340499 /nfs/dbraw/zinc/34/04/99/1013340499.db2.gz URNHEAUQACQMKJ-OQRWROFFSA-N 2 2 405.995 3.680 20 0 HHADLP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000016339310 963019709 /nfs/dbraw/zinc/01/97/09/963019709.db2.gz PFALOUXHCFSYBX-GBXCKJPGSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000016339310 963019726 /nfs/dbraw/zinc/01/97/26/963019726.db2.gz PFALOUXHCFSYBX-GBXCKJPGSA-N 2 2 407.558 3.738 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000542477599 1013425844 /nfs/dbraw/zinc/42/58/44/1013425844.db2.gz GAJBGRQHWWJDGA-RUZDIDTESA-N 2 2 404.533 3.847 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000542477599 1013425850 /nfs/dbraw/zinc/42/58/50/1013425850.db2.gz GAJBGRQHWWJDGA-RUZDIDTESA-N 2 2 404.533 3.847 20 0 HHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[NH+]2CCCC2)cc1OC ZINC000023480241 963832521 /nfs/dbraw/zinc/83/25/21/963832521.db2.gz UVYBOLZYPMGDPB-UHFFFAOYSA-N 2 2 420.557 3.801 20 0 HHADLP Cc1cc(C)c(C(=O)CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000050797730 964399923 /nfs/dbraw/zinc/39/99/23/964399923.db2.gz NXSASMYBYBXVIP-UHFFFAOYSA-N 2 2 413.606 3.640 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 ZINC000050798280 964400214 /nfs/dbraw/zinc/40/02/14/964400214.db2.gz JOBUXABBELOAON-UHFFFAOYSA-N 2 2 403.998 3.827 20 0 HHADLP CCCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OCC ZINC000050802717 964401674 /nfs/dbraw/zinc/40/16/74/964401674.db2.gz NYDJFXRPSPZYRH-UHFFFAOYSA-N 2 2 417.594 3.553 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)CC1 ZINC000050800663 964402088 /nfs/dbraw/zinc/40/20/88/964402088.db2.gz AFNJBXFBFOFHDW-UHFFFAOYSA-N 2 2 401.551 3.843 20 0 HHADLP CN(Cc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759786 964689523 /nfs/dbraw/zinc/68/95/23/964689523.db2.gz IDHFLIAJIOABSH-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP Cc1ccc(C[C@H]2CCCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000051761053 964689813 /nfs/dbraw/zinc/68/98/13/964689813.db2.gz GZTMHOZJJJTRMW-JOCHJYFZSA-N 2 2 412.622 3.518 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)CC2)CC1 ZINC000051777870 964694707 /nfs/dbraw/zinc/69/47/07/964694707.db2.gz IWQYKEMFZWXVIA-NRFANRHFSA-N 2 2 404.574 3.771 20 0 HHADLP Cc1ccc(OCc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000051959805 964750962 /nfs/dbraw/zinc/75/09/62/964750962.db2.gz MJRZAHRMVODCGJ-UHFFFAOYSA-N 2 2 401.576 3.575 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057377071 965423737 /nfs/dbraw/zinc/42/37/37/965423737.db2.gz RLSUPWAREGMTOW-UHFFFAOYSA-N 2 2 405.546 3.891 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041139 1013613279 /nfs/dbraw/zinc/61/32/79/1013613279.db2.gz IUXLADVANQVRQX-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041139 1013613284 /nfs/dbraw/zinc/61/32/84/1013613284.db2.gz IUXLADVANQVRQX-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041139 1013613286 /nfs/dbraw/zinc/61/32/86/1013613286.db2.gz IUXLADVANQVRQX-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041139 1013613289 /nfs/dbraw/zinc/61/32/89/1013613289.db2.gz IUXLADVANQVRQX-XPGWFJOJSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000060377443 966120709 /nfs/dbraw/zinc/12/07/09/966120709.db2.gz LYDNMTDZHBYXDU-UHFFFAOYSA-N 2 2 422.598 3.817 20 0 HHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000060377443 966120722 /nfs/dbraw/zinc/12/07/22/966120722.db2.gz LYDNMTDZHBYXDU-UHFFFAOYSA-N 2 2 422.598 3.817 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053800 1013628291 /nfs/dbraw/zinc/62/82/91/1013628291.db2.gz DMLTXDOHNVDQCT-VQTJNVASSA-N 2 2 421.948 3.851 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053800 1013628302 /nfs/dbraw/zinc/62/83/02/1013628302.db2.gz DMLTXDOHNVDQCT-VQTJNVASSA-N 2 2 421.948 3.851 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056258 1013632327 /nfs/dbraw/zinc/63/23/27/1013632327.db2.gz KXYAJJLHQJPPHR-JNXWUCBASA-N 2 2 422.976 3.929 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056258 1013632337 /nfs/dbraw/zinc/63/23/37/1013632337.db2.gz KXYAJJLHQJPPHR-JNXWUCBASA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056258 1013632344 /nfs/dbraw/zinc/63/23/44/1013632344.db2.gz KXYAJJLHQJPPHR-JNXWUCBASA-N 2 2 422.976 3.929 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538056258 1013632353 /nfs/dbraw/zinc/63/23/53/1013632353.db2.gz KXYAJJLHQJPPHR-JNXWUCBASA-N 2 2 422.976 3.929 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2)CC1 ZINC000060630640 966237161 /nfs/dbraw/zinc/23/71/61/966237161.db2.gz MGWMJEORQFLTHP-QHCPKHFHSA-N 2 2 421.589 3.823 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056599510 966389111 /nfs/dbraw/zinc/38/91/11/966389111.db2.gz LPGFWGCCXJDOSF-UHFFFAOYSA-N 2 2 407.518 3.915 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791059 966555826 /nfs/dbraw/zinc/55/58/26/966555826.db2.gz DJBNMXXWNGUUDO-UHFFFAOYSA-N 2 2 421.570 3.785 20 0 HHADLP S=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149252 966763157 /nfs/dbraw/zinc/76/31/57/966763157.db2.gz LCPALQCLSKIKEP-UHFFFAOYSA-N 2 2 419.598 3.560 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063463487 966866662 /nfs/dbraw/zinc/86/66/62/966866662.db2.gz BYWICNVTJIBGHV-DEOSSOPVSA-N 2 2 417.557 3.785 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063463487 966866666 /nfs/dbraw/zinc/86/66/66/966866666.db2.gz BYWICNVTJIBGHV-DEOSSOPVSA-N 2 2 417.557 3.785 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043517995 966989848 /nfs/dbraw/zinc/98/98/48/966989848.db2.gz NFKFBQJSZDZJCO-UHFFFAOYSA-N 2 2 413.591 3.915 20 0 HHADLP Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)s1 ZINC000065162014 967396649 /nfs/dbraw/zinc/39/66/49/967396649.db2.gz DGZIZGNLELDIKA-UHFFFAOYSA-N 2 2 401.576 3.738 20 0 HHADLP Cc1ccc(C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)s1 ZINC000065162014 967396656 /nfs/dbraw/zinc/39/66/56/967396656.db2.gz DGZIZGNLELDIKA-UHFFFAOYSA-N 2 2 401.576 3.738 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000047304166 968131856 /nfs/dbraw/zinc/13/18/56/968131856.db2.gz TXSRYUPYHRNFED-SFHVURJKSA-N 2 2 412.603 4.226 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)C1 ZINC000047304166 968131858 /nfs/dbraw/zinc/13/18/58/968131858.db2.gz TXSRYUPYHRNFED-SFHVURJKSA-N 2 2 412.603 4.226 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000047778052 968309951 /nfs/dbraw/zinc/30/99/51/968309951.db2.gz GXCZALGWKAGMOK-MJGOQNOKSA-N 2 2 416.591 3.614 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000047778052 968309958 /nfs/dbraw/zinc/30/99/58/968309958.db2.gz GXCZALGWKAGMOK-MJGOQNOKSA-N 2 2 416.591 3.614 20 0 HHADLP Cc1nc(C2CCCCC2)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538270729 1013811126 /nfs/dbraw/zinc/81/11/26/1013811126.db2.gz CGPBQDZEKSGCID-UHFFFAOYSA-N 2 2 404.624 3.788 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000554208628 1013852978 /nfs/dbraw/zinc/85/29/78/1013852978.db2.gz OITWKLVYWOYBQD-WAOWUJCRSA-N 2 2 414.550 3.924 20 0 HHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109545490 969531030 /nfs/dbraw/zinc/53/10/30/969531030.db2.gz DMNIYSJGAUAIPP-OAHLLOKOSA-N 2 2 414.377 3.755 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3N3CCCCCC3)CC2)CC1 ZINC000215984705 970058555 /nfs/dbraw/zinc/05/85/55/970058555.db2.gz QLPAUCNHUNKERG-UHFFFAOYSA-N 2 2 413.610 3.747 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000554444324 1013951616 /nfs/dbraw/zinc/95/16/16/1013951616.db2.gz GDTZPLBOMZRMHO-YYDVJCTNSA-N 2 2 410.562 3.893 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C ZINC000141722852 970127535 /nfs/dbraw/zinc/12/75/35/970127535.db2.gz XZMIXLXOPOZYON-QFIPXVFZSA-N 2 2 410.562 3.994 20 0 HHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237406608 970279541 /nfs/dbraw/zinc/27/95/41/970279541.db2.gz UJLUBZXTVHMJSP-IAGOWNOFSA-N 2 2 404.986 3.791 20 0 HHADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000385078334 972793628 /nfs/dbraw/zinc/79/36/28/972793628.db2.gz HIBHTKGEOZOBMB-UHFFFAOYSA-N 2 2 415.344 3.879 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000410351848 973942734 /nfs/dbraw/zinc/94/27/34/973942734.db2.gz YBOXQLKSMHMPSX-UHFFFAOYSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000410353383 973945344 /nfs/dbraw/zinc/94/53/44/973945344.db2.gz LCFBETJVYHHQBV-FQEVSTJZSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000410353383 973945355 /nfs/dbraw/zinc/94/53/55/973945355.db2.gz LCFBETJVYHHQBV-FQEVSTJZSA-N 2 2 421.589 3.924 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC000426030938 974152362 /nfs/dbraw/zinc/15/23/62/974152362.db2.gz WCRGCWLOHNDOTQ-ZRBLBEILSA-N 2 2 421.520 3.853 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccccc1 ZINC000426234416 974330725 /nfs/dbraw/zinc/33/07/25/974330725.db2.gz BBTLNADGYWIUHV-ZLNRFVROSA-N 2 2 403.530 3.714 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000426245868 974340681 /nfs/dbraw/zinc/34/06/81/974340681.db2.gz XGJAUWNIYFWARM-PKTZIBPZSA-N 2 2 403.530 3.673 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccc(F)c1 ZINC000426252828 974347466 /nfs/dbraw/zinc/34/74/66/974347466.db2.gz BMXLXZIHPSDNIK-ZLNRFVROSA-N 2 2 421.520 3.853 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cccc(F)c1 ZINC000426252826 974347484 /nfs/dbraw/zinc/34/74/84/974347484.db2.gz BMXLXZIHPSDNIK-DNVJHFABSA-N 2 2 421.520 3.853 20 0 HHADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Sc2ccccc2)n1 ZINC000426741955 974628951 /nfs/dbraw/zinc/62/89/51/974628951.db2.gz NSTQYTVLARXFHC-UHFFFAOYSA-N 2 2 412.603 3.639 20 0 HHADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Sc2ccccc2)n1 ZINC000426741955 974628953 /nfs/dbraw/zinc/62/89/53/974628953.db2.gz NSTQYTVLARXFHC-UHFFFAOYSA-N 2 2 412.603 3.639 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426796291 974666816 /nfs/dbraw/zinc/66/68/16/974666816.db2.gz BMELKSVBFRCKFY-HOTGVXAUSA-N 2 2 418.969 3.700 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829141 974694787 /nfs/dbraw/zinc/69/47/87/974694787.db2.gz NOQOYEFOHKTLAR-BBWFWOEESA-N 2 2 409.521 3.503 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426829141 974694789 /nfs/dbraw/zinc/69/47/89/974694789.db2.gz NOQOYEFOHKTLAR-BBWFWOEESA-N 2 2 409.521 3.503 20 0 HHADLP c1ccc(-c2ccc3c(c2)[C@H]([NH2+]C2CCN(CC[NH+]4CCOCC4)CC2)CC3)cc1 ZINC000427849814 975320428 /nfs/dbraw/zinc/32/04/28/975320428.db2.gz GPOLDNKUHAVJSI-AREMUKBSSA-N 2 2 405.586 3.727 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427865760 975327774 /nfs/dbraw/zinc/32/77/74/975327774.db2.gz JAJLSKRLKXNOMQ-WCQYABFASA-N 2 2 400.832 3.877 20 0 HHADLP Cn1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443704 975754944 /nfs/dbraw/zinc/75/49/44/975754944.db2.gz ZWCQLAGFEUSKTB-DEOSSOPVSA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443704 975754953 /nfs/dbraw/zinc/75/49/53/975754953.db2.gz ZWCQLAGFEUSKTB-DEOSSOPVSA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443704 975754965 /nfs/dbraw/zinc/75/49/65/975754965.db2.gz ZWCQLAGFEUSKTB-DEOSSOPVSA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2Cl)n1 ZINC000428443704 975754969 /nfs/dbraw/zinc/75/49/69/975754969.db2.gz ZWCQLAGFEUSKTB-DEOSSOPVSA-N 2 2 424.976 3.809 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428650010 975951380 /nfs/dbraw/zinc/95/13/80/975951380.db2.gz OFCIGTCVDTXMTO-CQSZACIVSA-N 2 2 423.330 3.605 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000428650010 975951384 /nfs/dbraw/zinc/95/13/84/975951384.db2.gz OFCIGTCVDTXMTO-CQSZACIVSA-N 2 2 423.330 3.605 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428654905 975954599 /nfs/dbraw/zinc/95/45/99/975954599.db2.gz WIMULHXXYXIBPJ-FQEVSTJZSA-N 2 2 420.561 3.506 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428654905 975954605 /nfs/dbraw/zinc/95/46/05/975954605.db2.gz WIMULHXXYXIBPJ-FQEVSTJZSA-N 2 2 420.561 3.506 20 0 HHADLP COCC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@@H]1CC=CCC1 ZINC000428937003 976236824 /nfs/dbraw/zinc/23/68/24/976236824.db2.gz CHQQRVDPINXODP-LJQANCHMSA-N 2 2 420.623 3.618 20 0 HHADLP COCC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C[C@@H]1CC=CCC1 ZINC000428937003 976236832 /nfs/dbraw/zinc/23/68/32/976236832.db2.gz CHQQRVDPINXODP-LJQANCHMSA-N 2 2 420.623 3.618 20 0 HHADLP CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000428945502 976240814 /nfs/dbraw/zinc/24/08/14/976240814.db2.gz YRZWSVTWYHVGPJ-GOSISDBHSA-N 2 2 408.612 3.593 20 0 HHADLP CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000428945502 976240816 /nfs/dbraw/zinc/24/08/16/976240816.db2.gz YRZWSVTWYHVGPJ-GOSISDBHSA-N 2 2 408.612 3.593 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000429007964 976289454 /nfs/dbraw/zinc/28/94/54/976289454.db2.gz MRFKIYWJBBPWNL-PZJWPPBQSA-N 2 2 409.578 3.662 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1Cc1ccccc1 ZINC000429007964 976289462 /nfs/dbraw/zinc/28/94/62/976289462.db2.gz MRFKIYWJBBPWNL-PZJWPPBQSA-N 2 2 409.578 3.662 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439661 976717738 /nfs/dbraw/zinc/71/77/38/976717738.db2.gz FMYDQOSZZHNNNW-PXDATVDWSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439661 976717749 /nfs/dbraw/zinc/71/77/49/976717749.db2.gz FMYDQOSZZHNNNW-PXDATVDWSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439658 976718076 /nfs/dbraw/zinc/71/80/76/976718076.db2.gz FMYDQOSZZHNNNW-OFVILXPXSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439658 976718082 /nfs/dbraw/zinc/71/80/82/976718082.db2.gz FMYDQOSZZHNNNW-OFVILXPXSA-N 3 2 411.590 3.569 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074809 /nfs/dbraw/zinc/07/48/09/977074809.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074817 /nfs/dbraw/zinc/07/48/17/977074817.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074832 /nfs/dbraw/zinc/07/48/32/977074832.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2COc2ccccc2)[C@H](C)C1 ZINC000429798602 977074844 /nfs/dbraw/zinc/07/48/44/977074844.db2.gz JKCVJJQQPACYCM-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804841 977080046 /nfs/dbraw/zinc/08/00/46/977080046.db2.gz UMVFCBNHAGITFT-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804841 977080055 /nfs/dbraw/zinc/08/00/55/977080055.db2.gz UMVFCBNHAGITFT-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804841 977080060 /nfs/dbraw/zinc/08/00/60/977080060.db2.gz UMVFCBNHAGITFT-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804841 977080066 /nfs/dbraw/zinc/08/00/66/977080066.db2.gz UMVFCBNHAGITFT-YKSBVNFPSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807563 977082092 /nfs/dbraw/zinc/08/20/92/977082092.db2.gz NYMFVXNIWFZXBN-PXDATVDWSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807563 977082113 /nfs/dbraw/zinc/08/21/13/977082113.db2.gz NYMFVXNIWFZXBN-PXDATVDWSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807563 977082121 /nfs/dbraw/zinc/08/21/21/977082121.db2.gz NYMFVXNIWFZXBN-PXDATVDWSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807563 977082133 /nfs/dbraw/zinc/08/21/33/977082133.db2.gz NYMFVXNIWFZXBN-PXDATVDWSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814229 977087988 /nfs/dbraw/zinc/08/79/88/977087988.db2.gz KYBFEAJEKSCROW-OPXMRZJTSA-N 2 2 405.586 3.823 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814229 977088000 /nfs/dbraw/zinc/08/80/00/977088000.db2.gz KYBFEAJEKSCROW-OPXMRZJTSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814229 977088009 /nfs/dbraw/zinc/08/80/09/977088009.db2.gz KYBFEAJEKSCROW-OPXMRZJTSA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000429814229 977088020 /nfs/dbraw/zinc/08/80/20/977088020.db2.gz KYBFEAJEKSCROW-OPXMRZJTSA-N 2 2 405.586 3.823 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000430250633 977419118 /nfs/dbraw/zinc/41/91/18/977419118.db2.gz VDCAQMBFRKAMJF-CQSZACIVSA-N 2 2 401.382 3.722 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000430250633 977419123 /nfs/dbraw/zinc/41/91/23/977419123.db2.gz VDCAQMBFRKAMJF-CQSZACIVSA-N 2 2 401.382 3.722 20 0 HHADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426251 977539098 /nfs/dbraw/zinc/53/90/98/977539098.db2.gz NHIHONIJFRXVKS-RTBURBONSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426251 977539102 /nfs/dbraw/zinc/53/91/02/977539102.db2.gz NHIHONIJFRXVKS-RTBURBONSA-N 2 2 417.985 3.869 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430575960 977640636 /nfs/dbraw/zinc/64/06/36/977640636.db2.gz WFJFLICEKVGLCS-UHFFFAOYSA-N 2 2 417.985 3.870 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000430856320 977809890 /nfs/dbraw/zinc/80/98/90/977809890.db2.gz DQFWKKBDZYYBRW-BJKOFHAPSA-N 2 2 420.601 3.945 20 0 HHADLP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430911946 977880658 /nfs/dbraw/zinc/88/06/58/977880658.db2.gz JOVVFEIIKHWIPS-FQEVSTJZSA-N 3 2 414.638 3.704 20 0 HHADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430911946 977880683 /nfs/dbraw/zinc/88/06/83/977880683.db2.gz JOVVFEIIKHWIPS-FQEVSTJZSA-N 3 2 414.638 3.704 20 0 HHADLP CC(C)N(C(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430937144 977900785 /nfs/dbraw/zinc/90/07/85/977900785.db2.gz ZLQXOPZBAQMNKQ-UHFFFAOYSA-N 3 2 414.638 3.556 20 0 HHADLP CC(C)N(C(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430937144 977900791 /nfs/dbraw/zinc/90/07/91/977900791.db2.gz ZLQXOPZBAQMNKQ-UHFFFAOYSA-N 3 2 414.638 3.556 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430955562 977911596 /nfs/dbraw/zinc/91/15/96/977911596.db2.gz ZEVBHHYMWKHXQL-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430955562 977911602 /nfs/dbraw/zinc/91/16/02/977911602.db2.gz ZEVBHHYMWKHXQL-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP O=C(NCC1CC[NH+](C2CC2)CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430959482 977913975 /nfs/dbraw/zinc/91/39/75/977913975.db2.gz ZQPPBZHNKBEHAE-UHFFFAOYSA-N 2 2 415.969 3.623 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000431215106 978097564 /nfs/dbraw/zinc/09/75/64/978097564.db2.gz AFPHKZBRUCSIIA-FQEVSTJZSA-N 2 2 416.610 3.959 20 0 HHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000431333865 978218740 /nfs/dbraw/zinc/21/87/40/978218740.db2.gz PXQSHPGHVQNLBW-DEOSSOPVSA-N 2 2 422.569 3.890 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000431803668 978525579 /nfs/dbraw/zinc/52/55/79/978525579.db2.gz ZGJJGPLUEHJMKC-UHFFFAOYSA-N 2 2 406.555 3.661 20 0 HHADLP CCC[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431823661 978538468 /nfs/dbraw/zinc/53/84/68/978538468.db2.gz RJIXETOAMHDDCB-XMMPIXPASA-N 2 2 416.569 3.987 20 0 HHADLP CCC[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431823661 978538471 /nfs/dbraw/zinc/53/84/71/978538471.db2.gz RJIXETOAMHDDCB-XMMPIXPASA-N 2 2 416.569 3.987 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431853986 978553948 /nfs/dbraw/zinc/55/39/48/978553948.db2.gz MBCCUFTZDIKHSF-REWPJTCUSA-N 2 2 402.542 3.643 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431853986 978553953 /nfs/dbraw/zinc/55/39/53/978553953.db2.gz MBCCUFTZDIKHSF-REWPJTCUSA-N 2 2 402.542 3.643 20 0 HHADLP COC(=O)c1cc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000432821265 978985045 /nfs/dbraw/zinc/98/50/45/978985045.db2.gz WLHDZRQPIPRPCU-QGZVFWFLSA-N 3 2 405.583 3.564 20 0 HHADLP COC(=O)c1cc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000432821265 978985046 /nfs/dbraw/zinc/98/50/46/978985046.db2.gz WLHDZRQPIPRPCU-QGZVFWFLSA-N 3 2 405.583 3.564 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433932011 979691416 /nfs/dbraw/zinc/69/14/16/979691416.db2.gz PNVIKPKTUQPQGE-MZLICYQSSA-N 2 2 422.573 3.922 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433941856 979701407 /nfs/dbraw/zinc/70/14/07/979701407.db2.gz SCTKKTWVFNBMHN-RTWAWAEBSA-N 2 2 414.937 3.735 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)C1 ZINC000433946119 979705118 /nfs/dbraw/zinc/70/51/18/979705118.db2.gz ODWJELKJOMYJHD-MZLICYQSSA-N 2 2 422.573 3.922 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000433997269 979745270 /nfs/dbraw/zinc/74/52/70/979745270.db2.gz OEZVOEKJEZTLPK-HSZRJFAPSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434268003 980029607 /nfs/dbraw/zinc/02/96/07/980029607.db2.gz VIKFPBHLUACPJP-KDURUIRLSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434268003 980029613 /nfs/dbraw/zinc/02/96/13/980029613.db2.gz VIKFPBHLUACPJP-KDURUIRLSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434271148 980031733 /nfs/dbraw/zinc/03/17/33/980031733.db2.gz VRKCOCDTCFRCER-GOSISDBHSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434271148 980031737 /nfs/dbraw/zinc/03/17/37/980031737.db2.gz VRKCOCDTCFRCER-GOSISDBHSA-N 2 2 401.599 3.619 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434675007 980333506 /nfs/dbraw/zinc/33/35/06/980333506.db2.gz KAKAVBYHTKEYRW-UHFFFAOYSA-N 2 2 412.603 3.779 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683098 980336851 /nfs/dbraw/zinc/33/68/51/980336851.db2.gz YZHGGVGIUGCGSD-MRXNPFEDSA-N 2 2 416.516 3.897 20 0 HHADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690753 980342650 /nfs/dbraw/zinc/34/26/50/980342650.db2.gz JVMPITAYFDXYFT-SFHVURJKSA-N 2 2 410.562 3.627 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000435131496 980662273 /nfs/dbraw/zinc/66/22/73/980662273.db2.gz ZIQPWNIIZBTJHI-SFTDATJTSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000435131496 980662276 /nfs/dbraw/zinc/66/22/76/980662276.db2.gz ZIQPWNIIZBTJHI-SFTDATJTSA-N 2 2 422.573 3.818 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436148288 981220979 /nfs/dbraw/zinc/22/09/79/981220979.db2.gz HPASHTPVIJFLEG-PMACEKPBSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436148288 981220985 /nfs/dbraw/zinc/22/09/85/981220985.db2.gz HPASHTPVIJFLEG-PMACEKPBSA-N 2 2 407.599 3.957 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000436239539 981264290 /nfs/dbraw/zinc/26/42/90/981264290.db2.gz HDORRUNALPNQAE-UHFFFAOYSA-N 2 2 400.482 3.569 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379028 981336962 /nfs/dbraw/zinc/33/69/62/981336962.db2.gz VUSKNJQLZABQBW-DHIUTWEWSA-N 2 2 417.557 3.538 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379028 981336971 /nfs/dbraw/zinc/33/69/71/981336971.db2.gz VUSKNJQLZABQBW-DHIUTWEWSA-N 2 2 417.557 3.538 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436608476 981471703 /nfs/dbraw/zinc/47/17/03/981471703.db2.gz UQPOBHFMBWYBNL-DHIUTWEWSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436608476 981471705 /nfs/dbraw/zinc/47/17/05/981471705.db2.gz UQPOBHFMBWYBNL-DHIUTWEWSA-N 2 2 409.574 3.955 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241004 981648302 /nfs/dbraw/zinc/64/83/02/981648302.db2.gz NENIFRSVKWDIPZ-INIZCTEOSA-N 2 2 416.595 3.595 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241004 981648303 /nfs/dbraw/zinc/64/83/03/981648303.db2.gz NENIFRSVKWDIPZ-INIZCTEOSA-N 2 2 416.595 3.595 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436975036 981660484 /nfs/dbraw/zinc/66/04/84/981660484.db2.gz FXQDQMUBPFCQPH-DHIUTWEWSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436975036 981660487 /nfs/dbraw/zinc/66/04/87/981660487.db2.gz FXQDQMUBPFCQPH-DHIUTWEWSA-N 2 2 413.606 3.680 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448468039 981805249 /nfs/dbraw/zinc/80/52/49/981805249.db2.gz SNIFFGTUXRAOJC-VDGAXYAQSA-N 2 2 424.992 3.988 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000448468039 981805262 /nfs/dbraw/zinc/80/52/62/981805262.db2.gz SNIFFGTUXRAOJC-VDGAXYAQSA-N 2 2 424.992 3.988 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000437217529 981873919 /nfs/dbraw/zinc/87/39/19/981873919.db2.gz PLTIESMHTPZYNQ-UHFFFAOYSA-N 2 2 403.876 3.647 20 0 HHADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)[nH+]1 ZINC000460384395 982162952 /nfs/dbraw/zinc/16/29/52/982162952.db2.gz CALRIKVAHAEOGU-CQSZACIVSA-N 2 2 400.324 3.963 20 0 HHADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)[nH+]1 ZINC000460384395 982162965 /nfs/dbraw/zinc/16/29/65/982162965.db2.gz CALRIKVAHAEOGU-CQSZACIVSA-N 2 2 400.324 3.963 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(-c3ccccc3Cl)on2)([NH+]2CCCCC2)CC1 ZINC000460481577 982273948 /nfs/dbraw/zinc/27/39/48/982273948.db2.gz UMYUZQVZDOLXFJ-UHFFFAOYSA-N 2 2 416.953 3.675 20 0 HHADLP CC(C)[C@@H](Sc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460497629 982286591 /nfs/dbraw/zinc/28/65/91/982286591.db2.gz NPQKJSGZKVGBKE-OAQYLSRUSA-N 2 2 403.636 3.870 20 0 HHADLP CC(C)[C@H](Sc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460497628 982286873 /nfs/dbraw/zinc/28/68/73/982286873.db2.gz NPQKJSGZKVGBKE-NRFANRHFSA-N 2 2 403.636 3.870 20 0 HHADLP Cc1ccc(SCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000460508674 982297563 /nfs/dbraw/zinc/29/75/63/982297563.db2.gz QERWRZDEHNTOQJ-UHFFFAOYSA-N 2 2 403.636 3.852 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000437958470 982488574 /nfs/dbraw/zinc/48/85/74/982488574.db2.gz FFUPENHPMKTHKD-UHFFFAOYSA-N 2 2 409.534 3.648 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000437958470 982488577 /nfs/dbraw/zinc/48/85/77/982488577.db2.gz FFUPENHPMKTHKD-UHFFFAOYSA-N 2 2 409.534 3.648 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OCC(F)F ZINC000438101397 982588908 /nfs/dbraw/zinc/58/89/08/982588908.db2.gz AXSAWFMPLDYPQY-UHFFFAOYSA-N 2 2 424.536 3.711 20 0 HHADLP CC(C)n1nc(-c2ccccc2)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438164200 982626093 /nfs/dbraw/zinc/62/60/93/982626093.db2.gz IGYNPYSBRGTICH-UHFFFAOYSA-N 2 2 412.582 3.621 20 0 HHADLP CC(C)n1nc(-c2ccccc2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438164200 982626095 /nfs/dbraw/zinc/62/60/95/982626095.db2.gz IGYNPYSBRGTICH-UHFFFAOYSA-N 2 2 412.582 3.621 20 0 HHADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000438281241 982698232 /nfs/dbraw/zinc/69/82/32/982698232.db2.gz KQSDKXQTGUNOHQ-UHFFFAOYSA-N 2 2 404.599 3.910 20 0 HHADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000438281241 982698233 /nfs/dbraw/zinc/69/82/33/982698233.db2.gz KQSDKXQTGUNOHQ-UHFFFAOYSA-N 2 2 404.599 3.910 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000438331863 982727709 /nfs/dbraw/zinc/72/77/09/982727709.db2.gz ZABXUCCUZVUUNU-UHFFFAOYSA-N 2 2 418.529 3.673 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000438331863 982727710 /nfs/dbraw/zinc/72/77/10/982727710.db2.gz ZABXUCCUZVUUNU-UHFFFAOYSA-N 2 2 418.529 3.673 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cccc(CC(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000438535919 982873356 /nfs/dbraw/zinc/87/33/56/982873356.db2.gz ZYSSLJQPLAMYTH-UHFFFAOYSA-N 2 2 412.500 3.863 20 0 HHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000439091738 983245902 /nfs/dbraw/zinc/24/59/02/983245902.db2.gz WUQPFHYMYKBPAB-FQEVSTJZSA-N 2 2 424.589 3.825 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000439649542 983483474 /nfs/dbraw/zinc/48/34/74/983483474.db2.gz PTHUQNXWOWMGIK-MRXNPFEDSA-N 2 2 414.575 3.790 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000440360834 983732584 /nfs/dbraw/zinc/73/25/84/983732584.db2.gz ZMZCCCDHWWWNTC-UHFFFAOYSA-N 2 2 411.512 3.513 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000440360834 983732590 /nfs/dbraw/zinc/73/25/90/983732590.db2.gz ZMZCCCDHWWWNTC-UHFFFAOYSA-N 2 2 411.512 3.513 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)c1 ZINC000440810362 983916619 /nfs/dbraw/zinc/91/66/19/983916619.db2.gz PEZYJZGIGJICQL-FGZHOGPDSA-N 2 2 421.545 3.971 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000440836071 983930097 /nfs/dbraw/zinc/93/00/97/983930097.db2.gz YTKKBGISBMJUHR-XMMPIXPASA-N 2 2 417.557 3.599 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000440836071 983930102 /nfs/dbraw/zinc/93/01/02/983930102.db2.gz YTKKBGISBMJUHR-XMMPIXPASA-N 2 2 417.557 3.599 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccccc2C)c(C)c1 ZINC000441375175 984217383 /nfs/dbraw/zinc/21/73/83/984217383.db2.gz XQRZEFSWAFXZQG-QPPBQGQZSA-N 2 2 404.558 3.887 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCCc2ccccc2C)c(C)c1 ZINC000441375177 984217414 /nfs/dbraw/zinc/21/74/14/984217414.db2.gz XQRZEFSWAFXZQG-XUZZJYLKSA-N 2 2 404.558 3.887 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c(C)c1 ZINC000441382163 984221071 /nfs/dbraw/zinc/22/10/71/984221071.db2.gz IYLCKBULSKVMNV-LEWJYISDSA-N 2 2 410.468 3.915 20 0 HHADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000441384396 984222926 /nfs/dbraw/zinc/22/29/26/984222926.db2.gz XXCQYNCAJKLVFO-AZUAARDMSA-N 2 2 422.529 3.834 20 0 HHADLP CC(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394631 984227900 /nfs/dbraw/zinc/22/79/00/984227900.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 3 2 414.682 3.520 20 0 HHADLP CC(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394631 984227904 /nfs/dbraw/zinc/22/79/04/984227904.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 3 2 414.682 3.520 20 0 HHADLP CC(CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394631 984227913 /nfs/dbraw/zinc/22/79/13/984227913.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 3 2 414.682 3.520 20 0 HHADLP CC(CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441394631 984227919 /nfs/dbraw/zinc/22/79/19/984227919.db2.gz PETJJFJWZXLTEB-SAZLYLDSSA-N 3 2 414.682 3.520 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395064 984228909 /nfs/dbraw/zinc/22/89/09/984228909.db2.gz QNSVBCIRVOOYLP-QPPBQGQZSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395064 984228913 /nfs/dbraw/zinc/22/89/13/984228913.db2.gz QNSVBCIRVOOYLP-QPPBQGQZSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395064 984228919 /nfs/dbraw/zinc/22/89/19/984228919.db2.gz QNSVBCIRVOOYLP-QPPBQGQZSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000441395064 984228922 /nfs/dbraw/zinc/22/89/22/984228922.db2.gz QNSVBCIRVOOYLP-QPPBQGQZSA-N 2 2 407.558 3.757 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406228 984235427 /nfs/dbraw/zinc/23/54/27/984235427.db2.gz QIYSBAUNXCNBEH-CPJSRVTESA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406228 984235435 /nfs/dbraw/zinc/23/54/35/984235435.db2.gz QIYSBAUNXCNBEH-CPJSRVTESA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406228 984235448 /nfs/dbraw/zinc/23/54/48/984235448.db2.gz QIYSBAUNXCNBEH-CPJSRVTESA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406228 984235452 /nfs/dbraw/zinc/23/54/52/984235452.db2.gz QIYSBAUNXCNBEH-CPJSRVTESA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419150 984240900 /nfs/dbraw/zinc/24/09/00/984240900.db2.gz JLIGPIMQJHXDIU-NFBKMPQASA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419150 984240908 /nfs/dbraw/zinc/24/09/08/984240908.db2.gz JLIGPIMQJHXDIU-NFBKMPQASA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419150 984240913 /nfs/dbraw/zinc/24/09/13/984240913.db2.gz JLIGPIMQJHXDIU-NFBKMPQASA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419150 984240921 /nfs/dbraw/zinc/24/09/21/984240921.db2.gz JLIGPIMQJHXDIU-NFBKMPQASA-N 2 2 411.590 3.573 20 0 HHADLP CCC[C@@H]1CCc2nc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)sc2C1 ZINC000441953520 984563041 /nfs/dbraw/zinc/56/30/41/984563041.db2.gz RFPYNUCXBCJULC-MRXNPFEDSA-N 2 2 419.639 3.728 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237729 984757977 /nfs/dbraw/zinc/75/79/77/984757977.db2.gz YFTFCOFMOIMIFU-LADGPHEKSA-N 2 2 417.557 3.815 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000442237729 984757984 /nfs/dbraw/zinc/75/79/84/984757984.db2.gz YFTFCOFMOIMIFU-LADGPHEKSA-N 2 2 417.557 3.815 20 0 HHADLP CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462002425 984983260 /nfs/dbraw/zinc/98/32/60/984983260.db2.gz ADCTUSBTBJXMID-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462002425 984983267 /nfs/dbraw/zinc/98/32/67/984983267.db2.gz ADCTUSBTBJXMID-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCN3CCc4c(Cl)cccc4C3)sc2C1 ZINC000442995181 985324628 /nfs/dbraw/zinc/32/46/28/985324628.db2.gz SXNZJWMNCLZOLY-UHFFFAOYSA-N 2 2 405.011 3.711 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCN3CCc4c(Cl)cccc4C3)sc2C1 ZINC000442995181 985324637 /nfs/dbraw/zinc/32/46/37/985324637.db2.gz SXNZJWMNCLZOLY-UHFFFAOYSA-N 2 2 405.011 3.711 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462610582 985554186 /nfs/dbraw/zinc/55/41/86/985554186.db2.gz CPRRPQFRXHFGHC-SFTDATJTSA-N 2 2 422.013 3.687 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462610582 985554189 /nfs/dbraw/zinc/55/41/89/985554189.db2.gz CPRRPQFRXHFGHC-SFTDATJTSA-N 2 2 422.013 3.687 20 0 HHADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000468017357 985670065 /nfs/dbraw/zinc/67/00/65/985670065.db2.gz QLLKSZRKJPASQL-OAQYLSRUSA-N 2 2 422.564 3.911 20 0 HHADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-n1cncn1 ZINC000462743130 985684498 /nfs/dbraw/zinc/68/44/98/985684498.db2.gz JCRHYWXKPCRJQI-UHFFFAOYSA-N 2 2 424.980 3.531 20 0 HHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462893220 985820907 /nfs/dbraw/zinc/82/09/07/985820907.db2.gz CQYSYQOVYBOAPH-MRXNPFEDSA-N 2 2 411.550 3.947 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000462903647 985832968 /nfs/dbraw/zinc/83/29/68/985832968.db2.gz FAGTZMMWBDOPNW-NRFANRHFSA-N 2 2 401.558 3.992 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000462903647 985832978 /nfs/dbraw/zinc/83/29/78/985832978.db2.gz FAGTZMMWBDOPNW-NRFANRHFSA-N 2 2 401.558 3.992 20 0 HHADLP NC(=O)C1CC[NH+](C[C@@H](Nc2cc3c(c[nH+]2)CCCC3)c2ccc(Cl)cc2)CC1 ZINC000462951105 985894337 /nfs/dbraw/zinc/89/43/37/985894337.db2.gz FTELIJMEIUYEPC-OAQYLSRUSA-N 2 2 412.965 3.964 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463079474 986036386 /nfs/dbraw/zinc/03/63/86/986036386.db2.gz CCVJTNUFUGDIMF-ATIYNZHBSA-N 3 2 406.618 3.577 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463079474 986036404 /nfs/dbraw/zinc/03/64/04/986036404.db2.gz CCVJTNUFUGDIMF-ATIYNZHBSA-N 3 2 406.618 3.577 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088953 /nfs/dbraw/zinc/08/89/53/986088953.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 3 2 405.602 3.559 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088969 /nfs/dbraw/zinc/08/89/69/986088969.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 3 2 405.602 3.559 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463142481 986111275 /nfs/dbraw/zinc/11/12/75/986111275.db2.gz MAGKFQWZYVAXNK-UHFFFAOYSA-N 3 2 420.645 3.621 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246874 986215093 /nfs/dbraw/zinc/21/50/93/986215093.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000463246874 986215102 /nfs/dbraw/zinc/21/51/02/986215102.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463246874 986215112 /nfs/dbraw/zinc/21/51/12/986215112.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463246874 986215129 /nfs/dbraw/zinc/21/51/29/986215129.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 3 2 419.613 3.655 20 0 HHADLP CCn1ccnc1[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000463253370 986221598 /nfs/dbraw/zinc/22/15/98/986221598.db2.gz DPTRCHZKUFOPQE-QHCPKHFHSA-N 2 2 414.569 3.807 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444047997 986246254 /nfs/dbraw/zinc/24/62/54/986246254.db2.gz PNSMNECTAYRJEC-SIKLNZKXSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000444047997 986246265 /nfs/dbraw/zinc/24/62/65/986246265.db2.gz PNSMNECTAYRJEC-SIKLNZKXSA-N 2 2 409.578 3.741 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000463284033 986250989 /nfs/dbraw/zinc/25/09/89/986250989.db2.gz GFWHSHFXZGVRBX-GMAHTHKFSA-N 2 2 400.611 3.614 20 0 HHADLP CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463284033 986251004 /nfs/dbraw/zinc/25/10/04/986251004.db2.gz GFWHSHFXZGVRBX-GMAHTHKFSA-N 2 2 400.611 3.614 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000463283717 986251074 /nfs/dbraw/zinc/25/10/74/986251074.db2.gz PCGNYOIHOOWALW-MRXNPFEDSA-N 2 2 411.384 3.777 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000468547564 986253741 /nfs/dbraw/zinc/25/37/41/986253741.db2.gz JYTNVOOTNUOWNQ-FQEVSTJZSA-N 2 2 413.635 3.554 20 0 HHADLP CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444270915 986463232 /nfs/dbraw/zinc/46/32/32/986463232.db2.gz QKFFORPMRMPSPN-UHFFFAOYSA-N 2 2 412.578 3.568 20 0 HHADLP CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444270915 986463237 /nfs/dbraw/zinc/46/32/37/986463237.db2.gz QKFFORPMRMPSPN-UHFFFAOYSA-N 2 2 412.578 3.568 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000444334212 986511074 /nfs/dbraw/zinc/51/10/74/986511074.db2.gz AMHXEYFQMHZIGI-AOMKIAJQSA-N 2 2 409.509 3.983 20 0 HHADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)CC2)cs1 ZINC000468917575 986624563 /nfs/dbraw/zinc/62/45/63/986624563.db2.gz IFMUTYPMMCEENE-FQEVSTJZSA-N 2 2 414.575 3.687 20 0 HHADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463704370 986689710 /nfs/dbraw/zinc/68/97/10/986689710.db2.gz PVMUALHJCURDIO-UHFFFAOYSA-N 2 2 423.561 3.653 20 0 HHADLP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)c2C)cc1 ZINC000463752732 986741979 /nfs/dbraw/zinc/74/19/79/986741979.db2.gz ZUQATGLDZDVOHY-UHFFFAOYSA-N 2 2 414.594 3.536 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599040 986786296 /nfs/dbraw/zinc/78/62/96/986786296.db2.gz SPKKMOCGBMSQTD-INIZCTEOSA-N 2 2 409.559 3.661 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000444599040 986786302 /nfs/dbraw/zinc/78/63/02/986786302.db2.gz SPKKMOCGBMSQTD-INIZCTEOSA-N 2 2 409.559 3.661 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000444792070 986948005 /nfs/dbraw/zinc/94/80/05/986948005.db2.gz CTGRNABOQMWNOG-KRWDZBQOSA-N 2 2 404.474 3.813 20 0 HHADLP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000444792070 986948010 /nfs/dbraw/zinc/94/80/10/986948010.db2.gz CTGRNABOQMWNOG-KRWDZBQOSA-N 2 2 404.474 3.813 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CC1 ZINC000444859809 987015933 /nfs/dbraw/zinc/01/59/33/987015933.db2.gz OGLQKWCATJHATJ-UHFFFAOYSA-N 2 2 412.500 3.862 20 0 HHADLP Cc1c(COC(C)(C)C)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444862152 987018619 /nfs/dbraw/zinc/01/86/19/987018619.db2.gz VKPKANBPGOHQGP-UHFFFAOYSA-N 2 2 416.610 3.990 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000469433544 987120171 /nfs/dbraw/zinc/12/01/71/987120171.db2.gz FVKGLSDFGYMCKR-QFIPXVFZSA-N 2 2 409.578 3.638 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000469433544 987120172 /nfs/dbraw/zinc/12/01/72/987120172.db2.gz FVKGLSDFGYMCKR-QFIPXVFZSA-N 2 2 409.578 3.638 20 0 HHADLP O=C(C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000469512453 987188993 /nfs/dbraw/zinc/18/89/93/987188993.db2.gz RQQAZASUZNERIT-HXUWFJFHSA-N 2 2 409.496 3.975 20 0 HHADLP O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000469512453 987188999 /nfs/dbraw/zinc/18/89/99/987188999.db2.gz RQQAZASUZNERIT-HXUWFJFHSA-N 2 2 409.496 3.975 20 0 HHADLP C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469684027 987341354 /nfs/dbraw/zinc/34/13/54/987341354.db2.gz ZFRZNCVFSFMBAP-NQIIRXRSSA-N 2 2 413.591 3.589 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000469761322 987415195 /nfs/dbraw/zinc/41/51/95/987415195.db2.gz AXIOLKVTXZHVQD-OIBXWCBGSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000469761322 987415197 /nfs/dbraw/zinc/41/51/97/987415197.db2.gz AXIOLKVTXZHVQD-OIBXWCBGSA-N 2 2 423.605 3.949 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000469763538 987416473 /nfs/dbraw/zinc/41/64/73/987416473.db2.gz IPBWYJTTZKVFFA-ZBFHGGJFSA-N 2 2 409.372 3.552 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000469763538 987416477 /nfs/dbraw/zinc/41/64/77/987416477.db2.gz IPBWYJTTZKVFFA-ZBFHGGJFSA-N 2 2 409.372 3.552 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469767678 987419953 /nfs/dbraw/zinc/41/99/53/987419953.db2.gz ZLSAEEBJPBVYDK-RTBURBONSA-N 2 2 423.557 3.548 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000469769524 987421408 /nfs/dbraw/zinc/42/14/08/987421408.db2.gz PPOPTWCNRJJCNY-NZQKXSOJSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469787145 987432236 /nfs/dbraw/zinc/43/22/36/987432236.db2.gz RWBKRZCCNGTVDN-BEFAXECRSA-N 2 2 405.420 3.982 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@@H](C)C1 ZINC000469792365 987436919 /nfs/dbraw/zinc/43/69/19/987436919.db2.gz XFCQAGPIPOEKGH-REWPJTCUSA-N 2 2 411.590 3.919 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@@H](C)C1 ZINC000469792365 987436924 /nfs/dbraw/zinc/43/69/24/987436924.db2.gz XFCQAGPIPOEKGH-REWPJTCUSA-N 2 2 411.590 3.919 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469838547 987473304 /nfs/dbraw/zinc/47/33/04/987473304.db2.gz MXCMOALGKFBFKE-UIFIKXQLSA-N 2 2 415.969 3.966 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000469858218 987495498 /nfs/dbraw/zinc/49/54/98/987495498.db2.gz CKOKFDNQAYKPCP-REWPJTCUSA-N 2 2 409.578 3.908 20 0 HHADLP CCOC(=O)[C@@](C)(C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000470153327 988063248 /nfs/dbraw/zinc/06/32/48/988063248.db2.gz RYSBUGRFDJBSDP-QFIPXVFZSA-N 2 2 401.576 3.520 20 0 HHADLP CCOC(=O)[C@@](C)(C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000470153327 988063265 /nfs/dbraw/zinc/06/32/65/988063265.db2.gz RYSBUGRFDJBSDP-QFIPXVFZSA-N 2 2 401.576 3.520 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464318574 988451274 /nfs/dbraw/zinc/45/12/74/988451274.db2.gz MLZWWRUUWVZFEG-BJKOFHAPSA-N 2 2 421.589 3.553 20 0 HHADLP CN(C(=O)c1cnnc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464318574 988451279 /nfs/dbraw/zinc/45/12/79/988451279.db2.gz MLZWWRUUWVZFEG-BJKOFHAPSA-N 2 2 421.589 3.553 20 0 HHADLP CC(C)[NH+](CCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000470478885 988468496 /nfs/dbraw/zinc/46/84/96/988468496.db2.gz YERNUDGRAMMDOT-BGYRXZFFSA-N 2 2 404.599 3.926 20 0 HHADLP CC(C)[NH+](CCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000470478885 988468503 /nfs/dbraw/zinc/46/85/03/988468503.db2.gz YERNUDGRAMMDOT-BGYRXZFFSA-N 2 2 404.599 3.926 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439846 988610484 /nfs/dbraw/zinc/61/04/84/988610484.db2.gz PSASHJHMPMZTGP-ZEQRLZLVSA-N 2 2 412.622 3.851 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439846 988610487 /nfs/dbraw/zinc/61/04/87/988610487.db2.gz PSASHJHMPMZTGP-ZEQRLZLVSA-N 2 2 412.622 3.851 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470735301 988769628 /nfs/dbraw/zinc/76/96/28/988769628.db2.gz BFGPIEXMDVRRTE-YLJYHZDGSA-N 2 2 422.976 3.743 20 0 HHADLP Cc1cccc([C@H]2CCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000464774386 988999092 /nfs/dbraw/zinc/99/90/92/988999092.db2.gz KCSQWRPJQAPXMH-HSZRJFAPSA-N 2 2 406.574 3.964 20 0 HHADLP Cc1cccc([C@H]2CCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000464774386 988999101 /nfs/dbraw/zinc/99/91/01/988999101.db2.gz KCSQWRPJQAPXMH-HSZRJFAPSA-N 2 2 406.574 3.964 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781523 989008577 /nfs/dbraw/zinc/00/85/77/989008577.db2.gz VVGGEGZTAGGTEI-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000464781523 989008584 /nfs/dbraw/zinc/00/85/84/989008584.db2.gz VVGGEGZTAGGTEI-CTNGQTDRSA-N 2 2 411.590 3.859 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098501 989195845 /nfs/dbraw/zinc/19/58/45/989195845.db2.gz FLWLQMMPTWXLNC-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098501 989195847 /nfs/dbraw/zinc/19/58/47/989195847.db2.gz FLWLQMMPTWXLNC-JWQCQUIFSA-N 2 2 422.617 3.963 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000464980063 989282602 /nfs/dbraw/zinc/28/26/02/989282602.db2.gz JTTYCJHYAIXRIV-NRFANRHFSA-N 2 2 422.598 3.856 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000464980063 989282609 /nfs/dbraw/zinc/28/26/09/989282609.db2.gz JTTYCJHYAIXRIV-NRFANRHFSA-N 2 2 422.598 3.856 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471182566 989314152 /nfs/dbraw/zinc/31/41/52/989314152.db2.gz SFWSMWOIVCUXAY-CVEARBPZSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471182566 989314155 /nfs/dbraw/zinc/31/41/55/989314155.db2.gz SFWSMWOIVCUXAY-CVEARBPZSA-N 2 2 423.542 3.930 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC000471632099 989840292 /nfs/dbraw/zinc/84/02/92/989840292.db2.gz AKNKPKWEMRDPLX-NRFANRHFSA-N 2 2 400.954 3.723 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000465598640 989979603 /nfs/dbraw/zinc/97/96/03/989979603.db2.gz LGXQBWMREPFPAP-QGZVFWFLSA-N 2 2 424.536 3.599 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000465707290 990093551 /nfs/dbraw/zinc/09/35/51/990093551.db2.gz HIBMIIWHAAPLSF-HYBUGGRVSA-N 2 2 415.626 3.840 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000465773839 990157356 /nfs/dbraw/zinc/15/73/56/990157356.db2.gz CKVSZENYGBAMDI-QHCPKHFHSA-N 2 2 421.589 3.713 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000465773839 990157359 /nfs/dbraw/zinc/15/73/59/990157359.db2.gz CKVSZENYGBAMDI-QHCPKHFHSA-N 2 2 421.589 3.713 20 0 HHADLP Cc1ccc([C@@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)c(C)c1 ZINC000472008947 990177327 /nfs/dbraw/zinc/17/73/27/990177327.db2.gz LGXHMUZCFHJMMS-JOCHJYFZSA-N 2 2 412.622 3.753 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000465884892 991006738 /nfs/dbraw/zinc/00/67/38/991006738.db2.gz GTRFDTPNJAVRII-OAQYLSRUSA-N 2 2 423.605 3.850 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000465884892 991006745 /nfs/dbraw/zinc/00/67/45/991006745.db2.gz GTRFDTPNJAVRII-OAQYLSRUSA-N 2 2 423.605 3.850 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC2(c3ccc(F)cc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000465893923 991020541 /nfs/dbraw/zinc/02/05/41/991020541.db2.gz RPTCSXAVQRNUSY-UHFFFAOYSA-N 2 2 416.585 3.845 20 0 HHADLP CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143342 991326232 /nfs/dbraw/zinc/32/62/32/991326232.db2.gz IPXQTIVWYPXKOF-QFIPXVFZSA-N 2 2 400.611 3.975 20 0 HHADLP Cc1cc(C)n(-c2cccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)n1 ZINC000466147091 991330141 /nfs/dbraw/zinc/33/01/41/991330141.db2.gz XIVDNBONODVPGQ-UHFFFAOYSA-N 2 2 424.593 3.561 20 0 HHADLP C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466154700 991340840 /nfs/dbraw/zinc/34/08/40/991340840.db2.gz QPVFXQVXJGMYSW-SIKLNZKXSA-N 2 2 416.585 3.869 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466656534 991970608 /nfs/dbraw/zinc/97/06/08/991970608.db2.gz XEIUITGQUYEODC-UHFFFAOYSA-N 2 2 411.546 3.801 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000467202778 992528038 /nfs/dbraw/zinc/52/80/38/992528038.db2.gz UBPHOIBCUOAHMX-FQEVSTJZSA-N 2 2 422.411 3.967 20 0 HHADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000467252757 992576524 /nfs/dbraw/zinc/57/65/24/992576524.db2.gz DTRUQENCJLLNMN-FQEVSTJZSA-N 2 2 420.395 3.673 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276754 992598312 /nfs/dbraw/zinc/59/83/12/992598312.db2.gz BNYUSUICXSVCGB-ZBFHGGJFSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276754 992598323 /nfs/dbraw/zinc/59/83/23/992598323.db2.gz BNYUSUICXSVCGB-ZBFHGGJFSA-N 2 2 424.376 3.816 20 0 HHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000467339424 992660437 /nfs/dbraw/zinc/66/04/37/992660437.db2.gz URSDRLIAAFNVBD-DHIUTWEWSA-N 2 2 409.574 3.917 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccnn3-c3ccccc3)cc2)CC1 ZINC000467388603 992702095 /nfs/dbraw/zinc/70/20/95/992702095.db2.gz MJHGWWALYDUVER-OAQYLSRUSA-N 2 2 403.574 3.861 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000467485313 992773496 /nfs/dbraw/zinc/77/34/96/992773496.db2.gz NOGAYMREXHTLJN-PZJWPPBQSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000467485313 992773503 /nfs/dbraw/zinc/77/35/03/992773503.db2.gz NOGAYMREXHTLJN-PZJWPPBQSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000467485311 992773999 /nfs/dbraw/zinc/77/39/99/992773999.db2.gz NOGAYMREXHTLJN-CTNGQTDRSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000467485311 992774008 /nfs/dbraw/zinc/77/40/08/992774008.db2.gz NOGAYMREXHTLJN-CTNGQTDRSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Br)c1 ZINC000467839951 993071464 /nfs/dbraw/zinc/07/14/64/993071464.db2.gz RAMKSPNFGDIMJG-MRXNPFEDSA-N 2 2 416.363 3.688 20 0 HHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000472147972 993202947 /nfs/dbraw/zinc/20/29/47/993202947.db2.gz TYMDJXRHHHOJDQ-SFHVURJKSA-N 2 2 402.498 3.817 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000472319009 993329751 /nfs/dbraw/zinc/32/97/51/993329751.db2.gz IOSRJAUWFGYVKQ-NRFANRHFSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000472319009 993329755 /nfs/dbraw/zinc/32/97/55/993329755.db2.gz IOSRJAUWFGYVKQ-NRFANRHFSA-N 2 2 421.589 3.631 20 0 HHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767470 993632150 /nfs/dbraw/zinc/63/21/50/993632150.db2.gz MECHGYBHULVMGE-HTAPYJJXSA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480767470 993632155 /nfs/dbraw/zinc/63/21/55/993632155.db2.gz MECHGYBHULVMGE-HTAPYJJXSA-N 2 2 401.576 3.619 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000480883881 993746431 /nfs/dbraw/zinc/74/64/31/993746431.db2.gz LWFSQANYQNOZJO-SFHVURJKSA-N 2 2 407.514 3.944 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480907881 993764129 /nfs/dbraw/zinc/76/41/29/993764129.db2.gz MHMXMSHXBLLRRJ-GOSISDBHSA-N 2 2 400.486 3.558 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1 ZINC000481028246 993872660 /nfs/dbraw/zinc/87/26/60/993872660.db2.gz YFGHQGNBNFCNQF-GCJKJVERSA-N 2 2 407.624 3.506 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000481028247 993872818 /nfs/dbraw/zinc/87/28/18/993872818.db2.gz YFGHQGNBNFCNQF-PGRDOPGGSA-N 2 2 407.624 3.506 20 0 HHADLP C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473009636 993934468 /nfs/dbraw/zinc/93/44/68/993934468.db2.gz MOPGNNSARBGLJG-GGAORHGYSA-N 2 2 412.622 3.599 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174377 994004664 /nfs/dbraw/zinc/00/46/64/994004664.db2.gz IZDYEGCRNAWWLV-MJGOQNOKSA-N 2 2 408.571 3.759 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174377 994004678 /nfs/dbraw/zinc/00/46/78/994004678.db2.gz IZDYEGCRNAWWLV-MJGOQNOKSA-N 2 2 408.571 3.759 20 0 HHADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000481415889 994249668 /nfs/dbraw/zinc/24/96/68/994249668.db2.gz OIOVDFGQPATKPB-LJQANCHMSA-N 2 2 414.546 3.574 20 0 HHADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000481535500 994365807 /nfs/dbraw/zinc/36/58/07/994365807.db2.gz PSRLZDDLRISHLC-GOSISDBHSA-N 2 2 412.559 3.752 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000481538594 994369957 /nfs/dbraw/zinc/36/99/57/994369957.db2.gz CIKWBSBUKXVAMH-SFHVURJKSA-N 2 2 412.559 3.754 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000481556393 994389256 /nfs/dbraw/zinc/38/92/56/994389256.db2.gz ITTKDQNUEUZFHV-AYBZRNKSSA-N 2 2 424.372 3.628 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000481556393 994389269 /nfs/dbraw/zinc/38/92/69/994389269.db2.gz ITTKDQNUEUZFHV-AYBZRNKSSA-N 2 2 424.372 3.628 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473620322 994502110 /nfs/dbraw/zinc/50/21/10/994502110.db2.gz GZGKFPDZBOLIBJ-UHFFFAOYSA-N 2 2 411.550 3.881 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692300 994552373 /nfs/dbraw/zinc/55/23/73/994552373.db2.gz JVRUCORXUUJWTL-SFTDATJTSA-N 2 2 420.573 3.944 20 0 HHADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000481692300 994552384 /nfs/dbraw/zinc/55/23/84/994552384.db2.gz JVRUCORXUUJWTL-SFTDATJTSA-N 2 2 420.573 3.944 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718492 994579300 /nfs/dbraw/zinc/57/93/00/994579300.db2.gz PZDDKWCLEZIIGB-HFZDXXHNSA-N 3 2 422.617 3.802 20 0 HHADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CC2)cc1 ZINC000481718492 994579312 /nfs/dbraw/zinc/57/93/12/994579312.db2.gz PZDDKWCLEZIIGB-HFZDXXHNSA-N 3 2 422.617 3.802 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482014781 994923032 /nfs/dbraw/zinc/92/30/32/994923032.db2.gz FFZIFFKCGDMIKR-DNQXCXABSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482014781 994923041 /nfs/dbraw/zinc/92/30/41/994923041.db2.gz FFZIFFKCGDMIKR-DNQXCXABSA-N 2 2 416.525 3.648 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048949 994972274 /nfs/dbraw/zinc/97/22/74/994972274.db2.gz OQMWUMJWYKQZJE-AZUAARDMSA-N 2 2 412.603 3.720 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000482048949 994972286 /nfs/dbraw/zinc/97/22/86/994972286.db2.gz OQMWUMJWYKQZJE-AZUAARDMSA-N 2 2 412.603 3.720 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474037624 995027732 /nfs/dbraw/zinc/02/77/32/995027732.db2.gz XJAUSSRICYWSKQ-UHYCVJNDSA-N 2 2 422.976 3.932 20 0 HHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000474052770 995042305 /nfs/dbraw/zinc/04/23/05/995042305.db2.gz CHRAQXQNXZTSFL-XMMPIXPASA-N 2 2 410.558 3.918 20 0 HHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000474064889 995052526 /nfs/dbraw/zinc/05/25/26/995052526.db2.gz ZVXZEDDJQYEYKN-QHCPKHFHSA-N 2 2 410.558 3.918 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130326 995079408 /nfs/dbraw/zinc/07/94/08/995079408.db2.gz DHSZKYKQYOCCGA-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130326 995079419 /nfs/dbraw/zinc/07/94/19/995079419.db2.gz DHSZKYKQYOCCGA-YADARESESA-N 2 2 415.541 3.729 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000482156061 995110398 /nfs/dbraw/zinc/11/03/98/995110398.db2.gz HZOXZEAHAXLFHR-KSSFIOAISA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000482156061 995110405 /nfs/dbraw/zinc/11/04/05/995110405.db2.gz HZOXZEAHAXLFHR-KSSFIOAISA-N 2 2 402.366 3.659 20 0 HHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482247666 995228514 /nfs/dbraw/zinc/22/85/14/995228514.db2.gz WIZBXAMXXHJYPI-IBGZPJMESA-N 2 2 416.591 3.799 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000474278701 995274186 /nfs/dbraw/zinc/27/41/86/995274186.db2.gz YIOJORUXIMWZOZ-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000474278701 995274198 /nfs/dbraw/zinc/27/41/98/995274198.db2.gz YIOJORUXIMWZOZ-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccc3C)cc2)CC1 ZINC000474464764 995427559 /nfs/dbraw/zinc/42/75/59/995427559.db2.gz STQKXUXSBOINBN-UHFFFAOYSA-N 2 2 403.574 3.608 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474657597 995603518 /nfs/dbraw/zinc/60/35/18/995603518.db2.gz LXINVDSTOYLYDK-MZZRDLGESA-N 2 2 422.976 3.931 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474657597 995603521 /nfs/dbraw/zinc/60/35/21/995603521.db2.gz LXINVDSTOYLYDK-MZZRDLGESA-N 2 2 422.976 3.931 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000474780434 995706929 /nfs/dbraw/zinc/70/69/29/995706929.db2.gz LURLGHKKUMXAQP-XXBNENTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc3ccccc3C1)C2 ZINC000474780434 995706937 /nfs/dbraw/zinc/70/69/37/995706937.db2.gz LURLGHKKUMXAQP-XXBNENTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc3ccccc3C1)CC2 ZINC000474780434 995706944 /nfs/dbraw/zinc/70/69/44/995706944.db2.gz LURLGHKKUMXAQP-XXBNENTESA-N 2 2 408.590 3.837 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc3ccccc3C1)CC2 ZINC000474780434 995706949 /nfs/dbraw/zinc/70/69/49/995706949.db2.gz LURLGHKKUMXAQP-XXBNENTESA-N 2 2 408.590 3.837 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000474905296 995791989 /nfs/dbraw/zinc/79/19/89/995791989.db2.gz JZHRFHVMZLDPRU-UHFFFAOYSA-N 2 2 412.484 3.712 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860835 995798106 /nfs/dbraw/zinc/79/81/06/995798106.db2.gz BFTFZSTUZGUMMU-CPJSRVTESA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860835 995798111 /nfs/dbraw/zinc/79/81/11/995798111.db2.gz BFTFZSTUZGUMMU-CPJSRVTESA-N 2 2 409.574 3.777 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475156189 995958383 /nfs/dbraw/zinc/95/83/83/995958383.db2.gz PSNAOUGZANZGDO-HKUYNNGSSA-N 2 2 402.608 3.987 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475156189 995958390 /nfs/dbraw/zinc/95/83/90/995958390.db2.gz PSNAOUGZANZGDO-HKUYNNGSSA-N 2 2 402.608 3.987 20 0 HHADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475163964 995963956 /nfs/dbraw/zinc/96/39/56/995963956.db2.gz QZVNDPQERSJHLR-QFIPXVFZSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163964 995963960 /nfs/dbraw/zinc/96/39/60/995963960.db2.gz QZVNDPQERSJHLR-QFIPXVFZSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475172853 995970657 /nfs/dbraw/zinc/97/06/57/995970657.db2.gz GVVYJCCTZUCNIE-NRFANRHFSA-N 2 2 421.520 3.817 20 0 HHADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475172853 995970661 /nfs/dbraw/zinc/97/06/61/995970661.db2.gz GVVYJCCTZUCNIE-NRFANRHFSA-N 2 2 421.520 3.817 20 0 HHADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182525 995978772 /nfs/dbraw/zinc/97/87/72/995978772.db2.gz LNOPBKOAJGIOSC-HSZRJFAPSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182525 995978782 /nfs/dbraw/zinc/97/87/82/995978782.db2.gz LNOPBKOAJGIOSC-HSZRJFAPSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182266 995978858 /nfs/dbraw/zinc/97/88/58/995978858.db2.gz KWUAUVVSVHWXKX-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182266 995978864 /nfs/dbraw/zinc/97/88/64/995978864.db2.gz KWUAUVVSVHWXKX-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475328247 996072989 /nfs/dbraw/zinc/07/29/89/996072989.db2.gz HDKZSARYXPGKRG-RWBZWWBESA-N 2 2 413.484 3.807 20 0 HHADLP CC(C)N(C)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000483271415 996073210 /nfs/dbraw/zinc/07/32/10/996073210.db2.gz XVOZIHDYSZPUDF-UHFFFAOYSA-N 3 2 401.643 3.554 20 0 HHADLP CC(C)N(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000483271415 996073214 /nfs/dbraw/zinc/07/32/14/996073214.db2.gz XVOZIHDYSZPUDF-UHFFFAOYSA-N 3 2 401.643 3.554 20 0 HHADLP COCCCOc1cccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000475329836 996073699 /nfs/dbraw/zinc/07/36/99/996073699.db2.gz BZSLEFIJNVJAPS-UHFFFAOYSA-N 2 2 400.485 3.997 20 0 HHADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475334073 996075492 /nfs/dbraw/zinc/07/54/92/996075492.db2.gz MGWULOWBWKYLOF-RWBZWWBESA-N 2 2 414.468 3.522 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(Br)c3)CC2)CC1 ZINC000483382671 996141115 /nfs/dbraw/zinc/14/11/15/996141115.db2.gz ISVWGOXOVBNVPY-KRWDZBQOSA-N 2 2 422.411 3.776 20 0 HHADLP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000483428780 996173068 /nfs/dbraw/zinc/17/30/68/996173068.db2.gz OQWMOBKACWTWEF-DEOSSOPVSA-N 2 2 404.514 3.716 20 0 HHADLP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000483428780 996173070 /nfs/dbraw/zinc/17/30/70/996173070.db2.gz OQWMOBKACWTWEF-DEOSSOPVSA-N 2 2 404.514 3.716 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000483657126 996312382 /nfs/dbraw/zinc/31/23/82/996312382.db2.gz SVUDKYJNTRPHBT-SFHVURJKSA-N 2 2 421.545 3.738 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722538 996349941 /nfs/dbraw/zinc/34/99/41/996349941.db2.gz HTKVRMFNMVGOIH-HZUJVAHNSA-N 2 2 422.616 3.894 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1S(C)(=O)=O ZINC000483722538 996349946 /nfs/dbraw/zinc/34/99/46/996349946.db2.gz HTKVRMFNMVGOIH-HZUJVAHNSA-N 2 2 422.616 3.894 20 0 HHADLP CC(C)Oc1c(Cl)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483935601 996477943 /nfs/dbraw/zinc/47/79/43/996477943.db2.gz VNCQQKWZEUJACW-UHFFFAOYSA-N 2 2 408.974 3.807 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000476041618 996561328 /nfs/dbraw/zinc/56/13/28/996561328.db2.gz MJHIVHJTZDYFTH-UHFFFAOYSA-N 2 2 406.530 3.593 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000476041618 996561333 /nfs/dbraw/zinc/56/13/33/996561333.db2.gz MJHIVHJTZDYFTH-UHFFFAOYSA-N 2 2 406.530 3.593 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137405 996591899 /nfs/dbraw/zinc/59/18/99/996591899.db2.gz DJYCEWKHEULTJY-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137405 996591904 /nfs/dbraw/zinc/59/19/04/996591904.db2.gz DJYCEWKHEULTJY-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000484141403 996594864 /nfs/dbraw/zinc/59/48/64/996594864.db2.gz IRTWMVXTLLEBSO-IERDGZPVSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000484141403 996594869 /nfs/dbraw/zinc/59/48/69/996594869.db2.gz IRTWMVXTLLEBSO-IERDGZPVSA-N 2 2 419.363 3.745 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172292 996615747 /nfs/dbraw/zinc/61/57/47/996615747.db2.gz GDGOQDBWSZQIPH-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1F ZINC000484172292 996615750 /nfs/dbraw/zinc/61/57/50/996615750.db2.gz GDGOQDBWSZQIPH-MGPUTAFESA-N 2 2 407.327 3.876 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484180518 996620426 /nfs/dbraw/zinc/62/04/26/996620426.db2.gz RZBGKPFQLMELAY-GAJHUEQPSA-N 2 2 408.571 3.801 20 0 HHADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484180518 996620430 /nfs/dbraw/zinc/62/04/30/996620430.db2.gz RZBGKPFQLMELAY-GAJHUEQPSA-N 2 2 408.571 3.801 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000476176793 996657136 /nfs/dbraw/zinc/65/71/36/996657136.db2.gz ZFPBQNCKOJHFGK-GUXCAODWSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C2 ZINC000476176793 996657140 /nfs/dbraw/zinc/65/71/40/996657140.db2.gz ZFPBQNCKOJHFGK-GUXCAODWSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000476176793 996657145 /nfs/dbraw/zinc/65/71/45/996657145.db2.gz ZFPBQNCKOJHFGK-GUXCAODWSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC2 ZINC000476176793 996657147 /nfs/dbraw/zinc/65/71/47/996657147.db2.gz ZFPBQNCKOJHFGK-GUXCAODWSA-N 2 2 400.592 3.899 20 0 HHADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484612483 996945551 /nfs/dbraw/zinc/94/55/51/996945551.db2.gz FBSBSKSALWXJSV-BJKOFHAPSA-N 2 2 407.558 3.773 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000476533746 997022761 /nfs/dbraw/zinc/02/27/61/997022761.db2.gz BWCJHCDKZJSZJW-XMSQKQJNSA-N 2 2 410.562 3.600 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000476533746 997022769 /nfs/dbraw/zinc/02/27/69/997022769.db2.gz BWCJHCDKZJSZJW-XMSQKQJNSA-N 2 2 410.562 3.600 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476575528 997074014 /nfs/dbraw/zinc/07/40/14/997074014.db2.gz XZULWVRKPCQGKS-CRAIPNDOSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476575528 997074029 /nfs/dbraw/zinc/07/40/29/997074029.db2.gz XZULWVRKPCQGKS-CRAIPNDOSA-N 2 2 412.484 3.650 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000476827307 997387777 /nfs/dbraw/zinc/38/77/77/997387777.db2.gz WARDHHFIXNYZQQ-CQSZACIVSA-N 2 2 402.366 3.799 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980649 997600373 /nfs/dbraw/zinc/60/03/73/997600373.db2.gz MMAHYYJKBGCYSN-STZQEDGTSA-N 2 2 415.940 3.863 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980649 997600378 /nfs/dbraw/zinc/60/03/78/997600378.db2.gz MMAHYYJKBGCYSN-STZQEDGTSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980649 997600383 /nfs/dbraw/zinc/60/03/83/997600383.db2.gz MMAHYYJKBGCYSN-STZQEDGTSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476980649 997600397 /nfs/dbraw/zinc/60/03/97/997600397.db2.gz MMAHYYJKBGCYSN-STZQEDGTSA-N 2 2 415.940 3.863 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1Br ZINC000485239941 997621728 /nfs/dbraw/zinc/62/17/28/997621728.db2.gz UHQGICFAXABCLP-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1Br ZINC000485239941 997621734 /nfs/dbraw/zinc/62/17/34/997621734.db2.gz UHQGICFAXABCLP-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485323405 997734878 /nfs/dbraw/zinc/73/48/78/997734878.db2.gz OSIBDYRJVSILDO-WSTZPKSXSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485323405 997734887 /nfs/dbraw/zinc/73/48/87/997734887.db2.gz OSIBDYRJVSILDO-WSTZPKSXSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485323405 997734893 /nfs/dbraw/zinc/73/48/93/997734893.db2.gz OSIBDYRJVSILDO-WSTZPKSXSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485323405 997734900 /nfs/dbraw/zinc/73/49/00/997734900.db2.gz OSIBDYRJVSILDO-WSTZPKSXSA-N 2 2 413.562 3.861 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338239 997755535 /nfs/dbraw/zinc/75/55/35/997755535.db2.gz NMVDVQFYULGHFR-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338239 997755544 /nfs/dbraw/zinc/75/55/44/997755544.db2.gz NMVDVQFYULGHFR-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338239 997755548 /nfs/dbraw/zinc/75/55/48/997755548.db2.gz NMVDVQFYULGHFR-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338239 997755560 /nfs/dbraw/zinc/75/55/60/997755560.db2.gz NMVDVQFYULGHFR-KIFXHHALSA-N 2 2 411.977 3.962 20 0 HHADLP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226520 997900750 /nfs/dbraw/zinc/90/07/50/997900750.db2.gz YFAJWAUPZOPUOU-RBUKOAKNSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000477226520 997900758 /nfs/dbraw/zinc/90/07/58/997900758.db2.gz YFAJWAUPZOPUOU-RBUKOAKNSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226520 997900766 /nfs/dbraw/zinc/90/07/66/997900766.db2.gz YFAJWAUPZOPUOU-RBUKOAKNSA-N 2 2 422.976 3.760 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000477226520 997900775 /nfs/dbraw/zinc/90/07/75/997900775.db2.gz YFAJWAUPZOPUOU-RBUKOAKNSA-N 2 2 422.976 3.760 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)cc1 ZINC000485504423 997961686 /nfs/dbraw/zinc/96/16/86/997961686.db2.gz LHXYMNLIXHCLEF-RBBKRZOGSA-N 2 2 409.578 3.530 20 0 HHADLP Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000485535583 997991372 /nfs/dbraw/zinc/99/13/72/997991372.db2.gz BJXGHEYHRFHDRK-UHFFFAOYSA-N 2 2 402.970 3.810 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccccc2)CC1 ZINC000485615156 998062446 /nfs/dbraw/zinc/06/24/46/998062446.db2.gz PSBPZGQMDDILSQ-GGAORHGYSA-N 2 2 423.605 3.857 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000477642938 998360410 /nfs/dbraw/zinc/36/04/10/998360410.db2.gz XPBGPMWRPPJMSF-RUZDIDTESA-N 2 2 421.585 3.675 20 0 HHADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000477642938 998360427 /nfs/dbraw/zinc/36/04/27/998360427.db2.gz XPBGPMWRPPJMSF-RUZDIDTESA-N 2 2 421.585 3.675 20 0 HHADLP Cc1cccc(N2CCC(Nc3cc[nH+]c(N[C@@H]4CCCO[C@@H]4C(C)C)n3)CC2)[nH+]1 ZINC000485957263 998398148 /nfs/dbraw/zinc/39/81/48/998398148.db2.gz URAWDVYQCFHGTK-DENIHFKCSA-N 2 2 410.566 3.876 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000485973969 998416047 /nfs/dbraw/zinc/41/60/47/998416047.db2.gz DZUVBNLNIQKBLT-TZIWHRDSSA-N 2 2 401.530 3.905 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000486107970 998555272 /nfs/dbraw/zinc/55/52/72/998555272.db2.gz GISOXYGSSHKKAU-DBXWQHBBSA-N 2 2 415.607 3.529 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000486107970 998555277 /nfs/dbraw/zinc/55/52/77/998555277.db2.gz GISOXYGSSHKKAU-DBXWQHBBSA-N 2 2 415.607 3.529 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486330345 998714870 /nfs/dbraw/zinc/71/48/70/998714870.db2.gz DZNGIASMCWUEDM-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486330345 998714874 /nfs/dbraw/zinc/71/48/74/998714874.db2.gz DZNGIASMCWUEDM-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000478027522 998721684 /nfs/dbraw/zinc/72/16/84/998721684.db2.gz RAKBFCGOBOHPAQ-HXUWFJFHSA-N 2 2 401.938 3.631 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1Cl ZINC000478027522 998721685 /nfs/dbraw/zinc/72/16/85/998721685.db2.gz RAKBFCGOBOHPAQ-HXUWFJFHSA-N 2 2 401.938 3.631 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046268 998733131 /nfs/dbraw/zinc/73/31/31/998733131.db2.gz LQVJMBBANUGTEC-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046268 998733136 /nfs/dbraw/zinc/73/31/36/998733136.db2.gz LQVJMBBANUGTEC-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046268 998733144 /nfs/dbraw/zinc/73/31/44/998733144.db2.gz LQVJMBBANUGTEC-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000478046268 998733147 /nfs/dbraw/zinc/73/31/47/998733147.db2.gz LQVJMBBANUGTEC-TZIWHRDSSA-N 2 2 411.590 3.859 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC(c3ccsc3)CC2)([NH+]2CCCCC2)CC1 ZINC000486860431 998978326 /nfs/dbraw/zinc/97/83/26/998978326.db2.gz STDXTTNNHCWJNS-UHFFFAOYSA-N 2 2 404.624 3.587 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)CC1 ZINC000486910963 999002636 /nfs/dbraw/zinc/00/26/36/999002636.db2.gz MHMUDBXBEJABAI-UHFFFAOYSA-N 2 2 419.997 3.950 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(C(=O)C3CCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000487025005 999040332 /nfs/dbraw/zinc/04/03/32/999040332.db2.gz VMTIOEITUXTUEL-UHFFFAOYSA-N 2 2 412.578 3.741 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057313 999271971 /nfs/dbraw/zinc/27/19/71/999271971.db2.gz HWDDLTIRWZVVJS-GVXSCFBNSA-N 2 2 416.569 3.722 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057313 999271973 /nfs/dbraw/zinc/27/19/73/999271973.db2.gz HWDDLTIRWZVVJS-GVXSCFBNSA-N 2 2 416.569 3.722 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(F)cc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000488067473 999365604 /nfs/dbraw/zinc/36/56/04/999365604.db2.gz YQGCBEGNVMCLGB-UHFFFAOYSA-N 2 2 401.448 3.525 20 0 HHADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479291476 999368416 /nfs/dbraw/zinc/36/84/16/999368416.db2.gz XLLZMUWOJXRVKA-OAQYLSRUSA-N 2 2 403.364 3.975 20 0 HHADLP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479360098 999402849 /nfs/dbraw/zinc/40/28/49/999402849.db2.gz OSONUHQJEAFUTG-XMMPIXPASA-N 2 2 402.542 3.872 20 0 HHADLP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)ccc1F ZINC000479360569 999403485 /nfs/dbraw/zinc/40/34/85/999403485.db2.gz MEKUNUMVIIGSOW-QFIPXVFZSA-N 2 2 401.501 3.839 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000488598341 999540919 /nfs/dbraw/zinc/54/09/19/999540919.db2.gz QGRPTCZCEVGXTO-KRWDZBQOSA-N 2 2 422.411 3.776 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488788306 999607713 /nfs/dbraw/zinc/60/77/13/999607713.db2.gz SCPDZBBHKPCJTG-QZRMGYTESA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488788306 999607715 /nfs/dbraw/zinc/60/77/15/999607715.db2.gz SCPDZBBHKPCJTG-QZRMGYTESA-N 2 2 407.643 3.766 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000479888590 999637124 /nfs/dbraw/zinc/63/71/24/999637124.db2.gz PYHQPCVGOILEMC-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000479888590 999637126 /nfs/dbraw/zinc/63/71/26/999637126.db2.gz PYHQPCVGOILEMC-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+](Cc1ccccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000479888590 999637128 /nfs/dbraw/zinc/63/71/28/999637128.db2.gz PYHQPCVGOILEMC-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+](Cc1ccccc1NC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000479888590 999637131 /nfs/dbraw/zinc/63/71/31/999637131.db2.gz PYHQPCVGOILEMC-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000489300403 999740579 /nfs/dbraw/zinc/74/05/79/999740579.db2.gz YZVKYCYXDJWFJY-RTWAWAEBSA-N 2 2 408.590 3.928 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000489300403 999740582 /nfs/dbraw/zinc/74/05/82/999740582.db2.gz YZVKYCYXDJWFJY-RTWAWAEBSA-N 2 2 408.590 3.928 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000489330313 999746743 /nfs/dbraw/zinc/74/67/43/999746743.db2.gz NHKJUZQZNMTWCT-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000489330313 999746744 /nfs/dbraw/zinc/74/67/44/999746744.db2.gz NHKJUZQZNMTWCT-INIZCTEOSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000489337235 999748232 /nfs/dbraw/zinc/74/82/32/999748232.db2.gz XDMCKYZXKAWZSV-UXHICEINSA-N 2 2 424.589 3.894 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000489337235 999748234 /nfs/dbraw/zinc/74/82/34/999748234.db2.gz XDMCKYZXKAWZSV-UXHICEINSA-N 2 2 424.589 3.894 20 0 HHADLP Ic1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000480240251 999754185 /nfs/dbraw/zinc/75/41/85/999754185.db2.gz KCKKQRPTPWWULH-KRWDZBQOSA-N 2 2 412.315 3.721 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(OC(F)F)c1 ZINC000480603748 999838479 /nfs/dbraw/zinc/83/84/79/999838479.db2.gz AVXIDXABZWXCMY-MRXNPFEDSA-N 2 2 403.473 3.526 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1OC(F)F ZINC000480604367 999838737 /nfs/dbraw/zinc/83/87/37/999838737.db2.gz AZUSGZIMPQLYLK-INIZCTEOSA-N 2 2 403.473 3.526 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836579 999846864 /nfs/dbraw/zinc/84/68/64/999846864.db2.gz RZFQUIBNBAZRMS-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836579 999846867 /nfs/dbraw/zinc/84/68/67/999846867.db2.gz RZFQUIBNBAZRMS-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1SC ZINC000480635531 999846931 /nfs/dbraw/zinc/84/69/31/999846931.db2.gz ATHJVPIGBQMWBJ-QGZVFWFLSA-N 2 2 413.587 3.656 20 0 HHADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237638 999918163 /nfs/dbraw/zinc/91/81/63/999918163.db2.gz FLWMBSCICNYWMO-FGZHOGPDSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237638 999918164 /nfs/dbraw/zinc/91/81/64/999918164.db2.gz FLWMBSCICNYWMO-FGZHOGPDSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237638 999918166 /nfs/dbraw/zinc/91/81/66/999918166.db2.gz FLWMBSCICNYWMO-FGZHOGPDSA-N 2 2 422.564 3.864 20 0 HHADLP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000490237638 999918167 /nfs/dbraw/zinc/91/81/67/999918167.db2.gz FLWMBSCICNYWMO-FGZHOGPDSA-N 2 2 422.564 3.864 20 0 HHADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)c1 ZINC000490355276 999943581 /nfs/dbraw/zinc/94/35/81/999943581.db2.gz PCQXCQULHUFRHE-UHFFFAOYSA-N 2 2 404.514 3.832 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)cn2c1 ZINC000490888003 1000019917 /nfs/dbraw/zinc/01/99/17/1000019917.db2.gz XSYNFQGLCIDWKY-OAQYLSRUSA-N 2 2 422.598 3.557 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)cn2c1 ZINC000490888003 1000019918 /nfs/dbraw/zinc/01/99/18/1000019918.db2.gz XSYNFQGLCIDWKY-OAQYLSRUSA-N 2 2 422.598 3.557 20 0 HHADLP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000490902985 1000021523 /nfs/dbraw/zinc/02/15/23/1000021523.db2.gz OVCPVSUTKUYOOU-HSZRJFAPSA-N 2 2 402.542 3.654 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000491026895 1000035812 /nfs/dbraw/zinc/03/58/12/1000035812.db2.gz ZMFVZZLKOJYNCI-IERDGZPVSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000491026897 1000035922 /nfs/dbraw/zinc/03/59/22/1000035922.db2.gz ZMFVZZLKOJYNCI-KKSFZXQISA-N 2 2 420.370 3.903 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491857315 1000097994 /nfs/dbraw/zinc/09/79/94/1000097994.db2.gz SZZVEGWNJZXCSQ-RXVVDRJESA-N 2 2 404.518 3.501 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491857315 1000097997 /nfs/dbraw/zinc/09/79/97/1000097997.db2.gz SZZVEGWNJZXCSQ-RXVVDRJESA-N 2 2 404.518 3.501 20 0 HHADLP CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+](C)C)cc1 ZINC000492061874 1000107615 /nfs/dbraw/zinc/10/76/15/1000107615.db2.gz CSFBDBAKKABRGD-JOCHJYFZSA-N 2 2 420.561 3.949 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492236648 1000117040 /nfs/dbraw/zinc/11/70/40/1000117040.db2.gz JTMAVAWGRCCBHM-HXUWFJFHSA-N 2 2 424.936 3.938 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492253435 1000118071 /nfs/dbraw/zinc/11/80/71/1000118071.db2.gz PKKVUZNTCAVAFO-OAQYLSRUSA-N 2 2 418.545 3.749 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492253435 1000118073 /nfs/dbraw/zinc/11/80/73/1000118073.db2.gz PKKVUZNTCAVAFO-OAQYLSRUSA-N 2 2 418.545 3.749 20 0 HHADLP Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000492289200 1000120055 /nfs/dbraw/zinc/12/00/55/1000120055.db2.gz IGAQBXYBRUVAHI-QHCPKHFHSA-N 2 2 400.611 3.892 20 0 HHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401011 1000125286 /nfs/dbraw/zinc/12/52/86/1000125286.db2.gz OGIFABXUPIKGAN-PKOBYXMFSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401011 1000125287 /nfs/dbraw/zinc/12/52/87/1000125287.db2.gz OGIFABXUPIKGAN-PKOBYXMFSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401010 1000125347 /nfs/dbraw/zinc/12/53/47/1000125347.db2.gz OGIFABXUPIKGAN-MJGOQNOKSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401010 1000125348 /nfs/dbraw/zinc/12/53/48/1000125348.db2.gz OGIFABXUPIKGAN-MJGOQNOKSA-N 2 2 406.979 3.614 20 0 HHADLP CCC[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000492555700 1000132206 /nfs/dbraw/zinc/13/22/06/1000132206.db2.gz BWBMUMUTVAFFAR-JOCHJYFZSA-N 2 2 418.545 3.845 20 0 HHADLP CCC[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000492555700 1000132207 /nfs/dbraw/zinc/13/22/07/1000132207.db2.gz BWBMUMUTVAFFAR-JOCHJYFZSA-N 2 2 418.545 3.845 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000494215363 1000368376 /nfs/dbraw/zinc/36/83/76/1000368376.db2.gz HTMSPYNNRNEHBD-GOTSBHOMSA-N 2 2 419.529 3.874 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494408135 1000478302 /nfs/dbraw/zinc/47/83/02/1000478302.db2.gz WHLFQYFWRPHDLA-INIZCTEOSA-N 2 2 400.324 3.553 20 0 HHADLP Brc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494417711 1000482095 /nfs/dbraw/zinc/48/20/95/1000482095.db2.gz YFMSNODFCRNJTM-KRWDZBQOSA-N 2 2 413.319 3.724 20 0 HHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494538834 1000544648 /nfs/dbraw/zinc/54/46/48/1000544648.db2.gz XUXNRXOOBTXMDK-UHFFFAOYSA-N 2 2 409.578 3.637 20 0 HHADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145870 1000576396 /nfs/dbraw/zinc/57/63/96/1000576396.db2.gz OTDPIQCCICYTPC-RTWAWAEBSA-N 2 2 424.564 3.977 20 0 HHADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145870 1000576408 /nfs/dbraw/zinc/57/64/08/1000576408.db2.gz OTDPIQCCICYTPC-RTWAWAEBSA-N 2 2 424.564 3.977 20 0 HHADLP Cc1csc(C2([NH2+]CC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)CCC2)n1 ZINC000494792386 1000659323 /nfs/dbraw/zinc/65/93/23/1000659323.db2.gz FWBGEBPECGWNGM-UHFFFAOYSA-N 2 2 412.603 3.510 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)CC1 ZINC000494868348 1000704651 /nfs/dbraw/zinc/70/46/51/1000704651.db2.gz LQHJYAYGRSMHDI-UHFFFAOYSA-N 2 2 403.329 3.813 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000494938924 1000741343 /nfs/dbraw/zinc/74/13/43/1000741343.db2.gz JBNSTJCQEGCQHS-UHFFFAOYSA-N 2 2 417.435 3.821 20 0 HHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494979776 1000761003 /nfs/dbraw/zinc/76/10/03/1000761003.db2.gz YZQFSZOHFQDWQV-HXUWFJFHSA-N 2 2 421.511 3.697 20 0 HHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494979776 1000761007 /nfs/dbraw/zinc/76/10/07/1000761007.db2.gz YZQFSZOHFQDWQV-HXUWFJFHSA-N 2 2 421.511 3.697 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495756825 1001071291 /nfs/dbraw/zinc/07/12/91/1001071291.db2.gz BAMCXGGJMBHNHI-UXHICEINSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495756825 1001071301 /nfs/dbraw/zinc/07/13/01/1001071301.db2.gz BAMCXGGJMBHNHI-UXHICEINSA-N 2 2 419.635 3.583 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000495805193 1001078199 /nfs/dbraw/zinc/07/81/99/1001078199.db2.gz WWDYYSDPJFTQKB-UHFFFAOYSA-N 2 2 403.611 3.628 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000495805193 1001078205 /nfs/dbraw/zinc/07/82/05/1001078205.db2.gz WWDYYSDPJFTQKB-UHFFFAOYSA-N 2 2 403.611 3.628 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cn2c1 ZINC000506090157 1001213984 /nfs/dbraw/zinc/21/39/84/1001213984.db2.gz SBQQBIDGDDIYRR-UXHICEINSA-N 2 2 414.619 3.989 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cn2c1 ZINC000506090157 1001213991 /nfs/dbraw/zinc/21/39/91/1001213991.db2.gz SBQQBIDGDDIYRR-UXHICEINSA-N 2 2 414.619 3.989 20 0 HHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)Cc1ccccc1 ZINC000506089868 1001214344 /nfs/dbraw/zinc/21/43/44/1001214344.db2.gz JRKJKROJMTZGCA-UHFFFAOYSA-N 2 2 418.541 3.554 20 0 HHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)Cc1ccccc1 ZINC000506089868 1001214351 /nfs/dbraw/zinc/21/43/51/1001214351.db2.gz JRKJKROJMTZGCA-UHFFFAOYSA-N 2 2 418.541 3.554 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)CC1 ZINC000497113529 1001271260 /nfs/dbraw/zinc/27/12/60/1001271260.db2.gz IPUNZWVQQQDKIF-UHFFFAOYSA-N 2 2 401.558 3.573 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC1 ZINC000497113529 1001271263 /nfs/dbraw/zinc/27/12/63/1001271263.db2.gz IPUNZWVQQQDKIF-UHFFFAOYSA-N 2 2 401.558 3.573 20 0 HHADLP CC[C@H](CSc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000506265195 1001316921 /nfs/dbraw/zinc/31/69/21/1001316921.db2.gz VTSZLIUOMCXCAB-HXUWFJFHSA-N 2 2 418.651 3.807 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000506368352 1001382193 /nfs/dbraw/zinc/38/21/93/1001382193.db2.gz IRUOZYHILZZKCG-PMACEKPBSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000506368352 1001382200 /nfs/dbraw/zinc/38/22/00/1001382200.db2.gz IRUOZYHILZZKCG-PMACEKPBSA-N 2 2 410.562 3.549 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000497500750 1001404189 /nfs/dbraw/zinc/40/41/89/1001404189.db2.gz XRUDSZZSLGWBPT-WRURNZQNSA-N 2 2 419.013 3.527 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000497500750 1001404194 /nfs/dbraw/zinc/40/41/94/1001404194.db2.gz XRUDSZZSLGWBPT-WRURNZQNSA-N 2 2 419.013 3.527 20 0 HHADLP CC(C)Oc1ccc([C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000497625258 1001463567 /nfs/dbraw/zinc/46/35/67/1001463567.db2.gz YQMPZNOMLHDVMU-HSZRJFAPSA-N 2 2 421.545 3.762 20 0 HHADLP Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506787226 1001529923 /nfs/dbraw/zinc/52/99/23/1001529923.db2.gz BGTFFMDPSOYLHN-UHFFFAOYSA-N 2 2 408.590 3.904 20 0 HHADLP Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506787226 1001529926 /nfs/dbraw/zinc/52/99/26/1001529926.db2.gz BGTFFMDPSOYLHN-UHFFFAOYSA-N 2 2 408.590 3.904 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(C)C ZINC000507052973 1001783435 /nfs/dbraw/zinc/78/34/35/1001783435.db2.gz KJSLFZVLZNBZIJ-PZJWPPBQSA-N 2 2 403.615 3.865 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(F)c1 ZINC000507078572 1001794581 /nfs/dbraw/zinc/79/45/81/1001794581.db2.gz KZAJLPYXIRRZIQ-NQIIRXRSSA-N 2 2 413.541 3.550 20 0 HHADLP CC[C@H](c1ccccc1OC)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000498386992 1001816816 /nfs/dbraw/zinc/81/68/16/1001816816.db2.gz RKRZVIXUFGDAKE-OAQYLSRUSA-N 2 2 416.610 3.738 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000507230662 1001917082 /nfs/dbraw/zinc/91/70/82/1001917082.db2.gz IZBLDMZBUZZDSP-UYAOXDASSA-N 2 2 413.566 3.785 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507257234 1001941230 /nfs/dbraw/zinc/94/12/30/1001941230.db2.gz XUMGJTMLVZRTKX-RBBKRZOGSA-N 2 2 409.578 3.720 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000507560664 1002165557 /nfs/dbraw/zinc/16/55/57/1002165557.db2.gz OVPUIDGELRGQKE-NRFANRHFSA-N 2 2 415.626 3.867 20 0 HHADLP COc1sc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1Br ZINC000507695864 1002288049 /nfs/dbraw/zinc/28/80/49/1002288049.db2.gz XCBFOZQNHNCNNV-UHFFFAOYSA-N 2 2 417.413 3.844 20 0 HHADLP Cn1ccnc1[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000507897825 1002431027 /nfs/dbraw/zinc/43/10/27/1002431027.db2.gz JMKWJIFSVXGHMV-LAUBAEHRSA-N 2 2 410.953 3.810 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000499064768 1002448098 /nfs/dbraw/zinc/44/80/98/1002448098.db2.gz MXXCNDJXRIAPGZ-QGZVFWFLSA-N 2 2 416.323 3.765 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000499064768 1002448104 /nfs/dbraw/zinc/44/81/04/1002448104.db2.gz MXXCNDJXRIAPGZ-QGZVFWFLSA-N 2 2 416.323 3.765 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C3)cc1 ZINC000499156163 1002539816 /nfs/dbraw/zinc/53/98/16/1002539816.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C3)cc1 ZINC000499156163 1002539830 /nfs/dbraw/zinc/53/98/30/1002539830.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C3)cc1 ZINC000499156162 1002540339 /nfs/dbraw/zinc/54/03/39/1002540339.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C3)cc1 ZINC000499156162 1002540345 /nfs/dbraw/zinc/54/03/45/1002540345.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 3 2 405.586 3.804 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236399 1002626903 /nfs/dbraw/zinc/62/69/03/1002626903.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000499236399 1002626907 /nfs/dbraw/zinc/62/69/07/1002626907.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499236399 1002626915 /nfs/dbraw/zinc/62/69/15/1002626915.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 3 2 419.613 3.655 20 0 HHADLP OC[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499236399 1002626918 /nfs/dbraw/zinc/62/69/18/1002626918.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 3 2 419.613 3.655 20 0 HHADLP C[C@@H]1CCC[C@H](OCCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000499384179 1002775486 /nfs/dbraw/zinc/77/54/86/1002775486.db2.gz NUAVLPAUUFHYBN-OFNKIYASSA-N 2 2 407.643 3.817 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC3CC[NH+](C(C)C)CC3)c2c1C ZINC000499659586 1003019377 /nfs/dbraw/zinc/01/93/77/1003019377.db2.gz IJOGJRGEKPOKBZ-UHFFFAOYSA-N 2 2 419.595 3.523 20 0 HHADLP CN(Cc1c(Cl)cccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508566346 1003033069 /nfs/dbraw/zinc/03/30/69/1003033069.db2.gz FLZFDBCPTSRVPE-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000499760056 1003099797 /nfs/dbraw/zinc/09/97/97/1003099797.db2.gz MALJXFXLKZSRAG-NHCUHLMSSA-N 2 2 421.589 3.663 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000499760056 1003099807 /nfs/dbraw/zinc/09/98/07/1003099807.db2.gz MALJXFXLKZSRAG-NHCUHLMSSA-N 2 2 421.589 3.663 20 0 HHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000508681262 1003119057 /nfs/dbraw/zinc/11/90/57/1003119057.db2.gz UXMQKBFUETWPNH-IBGZPJMESA-N 2 2 406.530 3.857 20 0 HHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000508681262 1003119062 /nfs/dbraw/zinc/11/90/62/1003119062.db2.gz UXMQKBFUETWPNH-IBGZPJMESA-N 2 2 406.530 3.857 20 0 HHADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508838754 1003259493 /nfs/dbraw/zinc/25/94/93/1003259493.db2.gz ZFKILTNMFKDOSX-UHFFFAOYSA-N 2 2 401.558 3.739 20 0 HHADLP Cc1ccccc1C[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508838754 1003259497 /nfs/dbraw/zinc/25/94/97/1003259497.db2.gz ZFKILTNMFKDOSX-UHFFFAOYSA-N 2 2 401.558 3.739 20 0 HHADLP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508888273 1003315568 /nfs/dbraw/zinc/31/55/68/1003315568.db2.gz HWDAKJAUMUXFLJ-RUZDIDTESA-N 2 2 409.574 3.778 20 0 HHADLP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000508888273 1003315580 /nfs/dbraw/zinc/31/55/80/1003315580.db2.gz HWDAKJAUMUXFLJ-RUZDIDTESA-N 2 2 409.574 3.778 20 0 HHADLP C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508889505 1003316645 /nfs/dbraw/zinc/31/66/45/1003316645.db2.gz DQMSWHWIJGIOBJ-XMSQKQJNSA-N 2 2 409.578 3.800 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000509294491 1003689350 /nfs/dbraw/zinc/68/93/50/1003689350.db2.gz OLJXFCCPCCWNJI-NHCUHLMSSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000509294491 1003689356 /nfs/dbraw/zinc/68/93/56/1003689356.db2.gz OLJXFCCPCCWNJI-NHCUHLMSSA-N 2 2 416.610 3.738 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1)c1ccccc1 ZINC000500447428 1003723934 /nfs/dbraw/zinc/72/39/34/1003723934.db2.gz LSRLCYOIOPPHBV-IBGZPJMESA-N 2 2 404.514 3.502 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000500564736 1003785612 /nfs/dbraw/zinc/78/56/12/1003785612.db2.gz MWXKXTFOOSKQBU-QGZVFWFLSA-N 2 2 403.255 3.701 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000500685751 1003893916 /nfs/dbraw/zinc/89/39/16/1003893916.db2.gz PRPSRWGSFBJRGA-WOJBJXKFSA-N 2 2 423.605 3.739 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000500687198 1003895225 /nfs/dbraw/zinc/89/52/25/1003895225.db2.gz NFHWAAAIZKHTIW-PMACEKPBSA-N 2 2 409.578 3.861 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000500797568 1003963946 /nfs/dbraw/zinc/96/39/46/1003963946.db2.gz CHBLTCXHMNKUMT-UHFFFAOYSA-N 2 2 424.992 3.615 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000512036247 1003971956 /nfs/dbraw/zinc/97/19/56/1003971956.db2.gz FYQCLJLKHBQHLF-UHFFFAOYSA-N 2 2 410.381 3.763 20 0 HHADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000512121375 1004037823 /nfs/dbraw/zinc/03/78/23/1004037823.db2.gz IQYTWYCUGPAYLX-UHFFFAOYSA-N 2 2 408.590 3.918 20 0 HHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000512121375 1004037833 /nfs/dbraw/zinc/03/78/33/1004037833.db2.gz IQYTWYCUGPAYLX-UHFFFAOYSA-N 2 2 408.590 3.918 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509713230 1004045335 /nfs/dbraw/zinc/04/53/35/1004045335.db2.gz NEGPMSIGALYDQD-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000509713230 1004045347 /nfs/dbraw/zinc/04/53/47/1004045347.db2.gz NEGPMSIGALYDQD-NZQKXSOJSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733048 1004059101 /nfs/dbraw/zinc/05/91/01/1004059101.db2.gz YZJLABQQZBROBN-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733048 1004059110 /nfs/dbraw/zinc/05/91/10/1004059110.db2.gz YZJLABQQZBROBN-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733050 1004059465 /nfs/dbraw/zinc/05/94/65/1004059465.db2.gz YZJLABQQZBROBN-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733050 1004059473 /nfs/dbraw/zinc/05/94/73/1004059473.db2.gz YZJLABQQZBROBN-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP COc1sc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1Br ZINC000512184602 1004087021 /nfs/dbraw/zinc/08/70/21/1004087021.db2.gz HZWXRVYEUSQWKE-KBPBESRZSA-N 2 2 417.413 3.840 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780433 1004091740 /nfs/dbraw/zinc/09/17/40/1004091740.db2.gz YYWQLZKHOBJOLR-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000509780433 1004091751 /nfs/dbraw/zinc/09/17/51/1004091751.db2.gz YYWQLZKHOBJOLR-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000509825934 1004126291 /nfs/dbraw/zinc/12/62/91/1004126291.db2.gz IRHUAINCHMBGCU-NFBKMPQASA-N 2 2 406.574 3.846 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242037 1004144850 /nfs/dbraw/zinc/14/48/50/1004144850.db2.gz IHNPEBFRYAXFQD-NTKDMRAZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242037 1004144857 /nfs/dbraw/zinc/14/48/57/1004144857.db2.gz IHNPEBFRYAXFQD-NTKDMRAZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512242037 1004144862 /nfs/dbraw/zinc/14/48/62/1004144862.db2.gz IHNPEBFRYAXFQD-NTKDMRAZSA-N 2 2 409.599 3.619 20 0 HHADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512242037 1004144872 /nfs/dbraw/zinc/14/48/72/1004144872.db2.gz IHNPEBFRYAXFQD-NTKDMRAZSA-N 2 2 409.599 3.619 20 0 HHADLP CCC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279748 1004181171 /nfs/dbraw/zinc/18/11/71/1004181171.db2.gz GYJNDYBUQPEJRI-UHFFFAOYSA-N 2 2 412.563 3.685 20 0 HHADLP CCC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279748 1004181179 /nfs/dbraw/zinc/18/11/79/1004181179.db2.gz GYJNDYBUQPEJRI-UHFFFAOYSA-N 2 2 412.563 3.685 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000510016875 1004267347 /nfs/dbraw/zinc/26/73/47/1004267347.db2.gz ZNDOIVVNYSGKQK-FCHUYYIVSA-N 2 2 415.965 3.905 20 0 HHADLP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213169 1004284342 /nfs/dbraw/zinc/28/43/42/1004284342.db2.gz YQLDAKLSMFEKGB-WZONZLPQSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213169 1004284348 /nfs/dbraw/zinc/28/43/48/1004284348.db2.gz YQLDAKLSMFEKGB-WZONZLPQSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213169 1004284357 /nfs/dbraw/zinc/28/43/57/1004284357.db2.gz YQLDAKLSMFEKGB-WZONZLPQSA-N 2 2 424.541 3.745 20 0 HHADLP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000501213169 1004284367 /nfs/dbraw/zinc/28/43/67/1004284367.db2.gz YQLDAKLSMFEKGB-WZONZLPQSA-N 2 2 424.541 3.745 20 0 HHADLP Clc1ccc(-n2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nn2)c(Cl)c1 ZINC000512479155 1004331867 /nfs/dbraw/zinc/33/18/67/1004331867.db2.gz FXYGFHDXLGERIN-UHFFFAOYSA-N 2 2 424.376 3.508 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501496040 1004465829 /nfs/dbraw/zinc/46/58/29/1004465829.db2.gz RIIGXQVSIRIJMI-VNTMZGSJSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501496040 1004465835 /nfs/dbraw/zinc/46/58/35/1004465835.db2.gz RIIGXQVSIRIJMI-VNTMZGSJSA-N 2 2 402.583 3.680 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@@H](C)O1 ZINC000501506003 1004475013 /nfs/dbraw/zinc/47/50/13/1004475013.db2.gz UPNBDBJBPNSPRT-CBGDNZLLSA-N 2 2 416.591 3.782 20 0 HHADLP COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)c1 ZINC000510329150 1004486187 /nfs/dbraw/zinc/48/61/87/1004486187.db2.gz KZVQTDVEORCPMP-HSZRJFAPSA-N 2 2 404.514 3.756 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC2)cc1 ZINC000510357260 1004505028 /nfs/dbraw/zinc/50/50/28/1004505028.db2.gz XNGBYODEDWGSJS-UHFFFAOYSA-N 2 2 404.514 3.537 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC2)cc1 ZINC000510357260 1004505038 /nfs/dbraw/zinc/50/50/38/1004505038.db2.gz XNGBYODEDWGSJS-UHFFFAOYSA-N 2 2 404.514 3.537 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000512921932 1004696207 /nfs/dbraw/zinc/69/62/07/1004696207.db2.gz DYBSDMFJZBCNMT-COPCDDAFSA-N 2 2 413.566 3.566 20 0 HHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000513001523 1004753749 /nfs/dbraw/zinc/75/37/49/1004753749.db2.gz ISOWPYMCPHSZNP-NOTZXAQLSA-N 2 2 407.558 3.535 20 0 HHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000513001523 1004753755 /nfs/dbraw/zinc/75/37/55/1004753755.db2.gz ISOWPYMCPHSZNP-NOTZXAQLSA-N 2 2 407.558 3.535 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501822263 1004758547 /nfs/dbraw/zinc/75/85/47/1004758547.db2.gz AGWUHOVKGPRBRU-QHCPKHFHSA-N 2 2 403.530 3.568 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627753 1004763579 /nfs/dbraw/zinc/76/35/79/1004763579.db2.gz FQVWQJNLGBIGJR-PNHOKKKMSA-N 2 2 408.949 3.564 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627753 1004763584 /nfs/dbraw/zinc/76/35/84/1004763584.db2.gz FQVWQJNLGBIGJR-PNHOKKKMSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627753 1004763592 /nfs/dbraw/zinc/76/35/92/1004763592.db2.gz FQVWQJNLGBIGJR-PNHOKKKMSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627753 1004763595 /nfs/dbraw/zinc/76/35/95/1004763595.db2.gz FQVWQJNLGBIGJR-PNHOKKKMSA-N 2 2 408.949 3.564 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846771 1004773524 /nfs/dbraw/zinc/77/35/24/1004773524.db2.gz AFJCCOQSPKYEND-HSZRJFAPSA-N 2 2 417.557 3.610 20 0 HHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000513055567 1004782456 /nfs/dbraw/zinc/78/24/56/1004782456.db2.gz AYPLKUGDKHHHQD-WIYYLYMNSA-N 2 2 421.651 3.896 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000510747803 1004830580 /nfs/dbraw/zinc/83/05/80/1004830580.db2.gz ODVFMAGUXNPCID-OALUTQOASA-N 2 2 422.411 3.977 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC000510747803 1004830584 /nfs/dbraw/zinc/83/05/84/1004830584.db2.gz ODVFMAGUXNPCID-OALUTQOASA-N 2 2 422.411 3.977 20 0 HHADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000513203817 1004859298 /nfs/dbraw/zinc/85/92/98/1004859298.db2.gz KRVDMBANWKCEKI-UHFFFAOYSA-N 3 2 412.544 3.810 20 0 HHADLP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000513228529 1004871478 /nfs/dbraw/zinc/87/14/78/1004871478.db2.gz YACTYQCXCPPTSP-FQEVSTJZSA-N 2 2 404.480 3.933 20 0 HHADLP O[C@@H](CCc1ccccc1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922873 1004935009 /nfs/dbraw/zinc/93/50/09/1004935009.db2.gz UYADJDAELSYDEK-SFHVURJKSA-N 2 2 418.335 3.735 20 0 HHADLP O[C@@H](CCc1ccccc1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922873 1004935013 /nfs/dbraw/zinc/93/50/13/1004935013.db2.gz UYADJDAELSYDEK-SFHVURJKSA-N 2 2 418.335 3.735 20 0 HHADLP COc1ccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510937202 1004943688 /nfs/dbraw/zinc/94/36/88/1004943688.db2.gz OEWVDDGQGOMYDO-UHFFFAOYSA-N 2 2 404.308 3.992 20 0 HHADLP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510937202 1004943695 /nfs/dbraw/zinc/94/36/95/1004943695.db2.gz OEWVDDGQGOMYDO-UHFFFAOYSA-N 2 2 404.308 3.992 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)CC1 ZINC000513460397 1004976468 /nfs/dbraw/zinc/97/64/68/1004976468.db2.gz FGXYGIZGAMYBEC-LJQANCHMSA-N 2 2 401.501 3.969 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)CC1 ZINC000513460397 1004976474 /nfs/dbraw/zinc/97/64/74/1004976474.db2.gz FGXYGIZGAMYBEC-LJQANCHMSA-N 2 2 401.501 3.969 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)CC1 ZINC000513460396 1004976671 /nfs/dbraw/zinc/97/66/71/1004976671.db2.gz FGXYGIZGAMYBEC-IBGZPJMESA-N 2 2 401.501 3.969 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)CC1 ZINC000513460396 1004976675 /nfs/dbraw/zinc/97/66/75/1004976675.db2.gz FGXYGIZGAMYBEC-IBGZPJMESA-N 2 2 401.501 3.969 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)c1 ZINC000513490565 1004988360 /nfs/dbraw/zinc/98/83/60/1004988360.db2.gz FQYXIKXBEAAEQI-DEOSSOPVSA-N 2 2 421.566 3.833 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)cc1C ZINC000513816959 1005141777 /nfs/dbraw/zinc/14/17/77/1005141777.db2.gz XQCXZZZXQCUPEH-UHFFFAOYSA-N 2 2 404.580 3.603 20 0 HHADLP CN1CCO[C@H]([C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000511379326 1005148280 /nfs/dbraw/zinc/14/82/80/1005148280.db2.gz DDNGYJILKKYYNO-XZOQPEGZSA-N 2 2 410.949 3.746 20 0 HHADLP CC1CC[NH+](C2CCC(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)CC1 ZINC000502672189 1005172829 /nfs/dbraw/zinc/17/28/29/1005172829.db2.gz SWQMVSHWHMDVHS-UHFFFAOYSA-N 2 2 409.578 3.774 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511545220 1005218102 /nfs/dbraw/zinc/21/81/02/1005218102.db2.gz KBFBOPWXMFJHJU-HXUWFJFHSA-N 2 2 400.320 3.941 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000514009425 1005226271 /nfs/dbraw/zinc/22/62/71/1005226271.db2.gz FJXZGCSCTVVRID-UHFFFAOYSA-N 2 2 407.493 3.607 20 0 HHADLP CCC1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000514201872 1005310227 /nfs/dbraw/zinc/31/02/27/1005310227.db2.gz NTQRSUMJEMWEBC-QFIPXVFZSA-N 2 2 423.605 3.790 20 0 HHADLP CCC1(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000514201872 1005310232 /nfs/dbraw/zinc/31/02/32/1005310232.db2.gz NTQRSUMJEMWEBC-QFIPXVFZSA-N 2 2 423.605 3.790 20 0 HHADLP COc1cc(Br)ccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000514243793 1005330365 /nfs/dbraw/zinc/33/03/65/1005330365.db2.gz YCKHDSWTKOXADI-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000503064609 1005334572 /nfs/dbraw/zinc/33/45/72/1005334572.db2.gz SBATTXLYZWUOAM-UHFFFAOYSA-N 2 2 403.530 3.846 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000503064609 1005334579 /nfs/dbraw/zinc/33/45/79/1005334579.db2.gz SBATTXLYZWUOAM-UHFFFAOYSA-N 2 2 403.530 3.846 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074521 1005339476 /nfs/dbraw/zinc/33/94/76/1005339476.db2.gz LQTJOWVNXBPWDO-YEWWUXTCSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074521 1005339477 /nfs/dbraw/zinc/33/94/77/1005339477.db2.gz LQTJOWVNXBPWDO-YEWWUXTCSA-N 2 2 405.340 3.864 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159318 1005359284 /nfs/dbraw/zinc/35/92/84/1005359284.db2.gz IKXGVWPWRPMKKX-YADHBBJMSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159318 1005359287 /nfs/dbraw/zinc/35/92/87/1005359287.db2.gz IKXGVWPWRPMKKX-YADHBBJMSA-N 2 2 412.965 3.825 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)CC1 ZINC000503415321 1005413434 /nfs/dbraw/zinc/41/34/34/1005413434.db2.gz PETMBADYTYAUMT-HXUWFJFHSA-N 2 2 413.541 3.665 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000503456340 1005425795 /nfs/dbraw/zinc/42/57/95/1005425795.db2.gz CFBMFEVNHSDBQL-WOJBJXKFSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000503495333 1005436836 /nfs/dbraw/zinc/43/68/36/1005436836.db2.gz FRVYYRBFAKPTTG-HXUWFJFHSA-N 2 2 403.958 3.966 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639623 1005471080 /nfs/dbraw/zinc/47/10/80/1005471080.db2.gz LWIVFBNICFYRDH-NOZRDPDXSA-N 2 2 420.601 3.695 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)C2)CC1 ZINC000503639623 1005471081 /nfs/dbraw/zinc/47/10/81/1005471081.db2.gz LWIVFBNICFYRDH-NOZRDPDXSA-N 2 2 420.601 3.695 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000504288594 1005590100 /nfs/dbraw/zinc/59/01/00/1005590100.db2.gz GGVALTGYLAOREZ-SFHVURJKSA-N 2 2 401.580 3.718 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000514446065 1005995006 /nfs/dbraw/zinc/99/50/06/1005995006.db2.gz LHLROBURTFYTEM-JOCHJYFZSA-N 2 2 407.562 3.708 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000514626086 1006058211 /nfs/dbraw/zinc/05/82/11/1006058211.db2.gz ORZNYRABUKOBEX-QGZVFWFLSA-N 2 2 400.542 3.707 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000514626086 1006058224 /nfs/dbraw/zinc/05/82/24/1006058224.db2.gz ORZNYRABUKOBEX-QGZVFWFLSA-N 2 2 400.542 3.707 20 0 HHADLP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000514881297 1006182170 /nfs/dbraw/zinc/18/21/70/1006182170.db2.gz SUWGCPYXOIKLQD-UHFFFAOYSA-N 2 2 402.970 3.953 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534203149 1006194955 /nfs/dbraw/zinc/19/49/55/1006194955.db2.gz SAKONZUGMOLLRH-OALUTQOASA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534203149 1006194963 /nfs/dbraw/zinc/19/49/63/1006194963.db2.gz SAKONZUGMOLLRH-OALUTQOASA-N 2 2 400.558 3.543 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000534204707 1006196401 /nfs/dbraw/zinc/19/64/01/1006196401.db2.gz LACUNNNTAAMLFD-HSZRJFAPSA-N 2 2 419.573 3.784 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000534204707 1006196406 /nfs/dbraw/zinc/19/64/06/1006196406.db2.gz LACUNNNTAAMLFD-HSZRJFAPSA-N 2 2 419.573 3.784 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534254483 1006263835 /nfs/dbraw/zinc/26/38/35/1006263835.db2.gz WZPASWFJSMILCL-JTDSTZFVSA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534254483 1006263843 /nfs/dbraw/zinc/26/38/43/1006263843.db2.gz WZPASWFJSMILCL-JTDSTZFVSA-N 2 2 419.932 3.784 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358505 1006320673 /nfs/dbraw/zinc/32/06/73/1006320673.db2.gz CTIBYEVNKREPOE-PKTZIBPZSA-N 2 2 415.622 3.984 20 0 HHADLP CC(C)c1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358505 1006320682 /nfs/dbraw/zinc/32/06/82/1006320682.db2.gz CTIBYEVNKREPOE-PKTZIBPZSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358481 1006320878 /nfs/dbraw/zinc/32/08/78/1006320878.db2.gz COMVAKBRWJWYCX-PSBKLILYSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358481 1006320887 /nfs/dbraw/zinc/32/08/87/1006320887.db2.gz COMVAKBRWJWYCX-PSBKLILYSA-N 2 2 419.560 3.864 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534386272 1006359296 /nfs/dbraw/zinc/35/92/96/1006359296.db2.gz WMKPYQWFWPUKHU-GOTSBHOMSA-N 2 2 400.611 3.728 20 0 HHADLP CCc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534386272 1006359309 /nfs/dbraw/zinc/35/93/09/1006359309.db2.gz WMKPYQWFWPUKHU-GOTSBHOMSA-N 2 2 400.611 3.728 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711947 1006372485 /nfs/dbraw/zinc/37/24/85/1006372485.db2.gz UJIWQMATZAOTAA-QUCCMNQESA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711947 1006372495 /nfs/dbraw/zinc/37/24/95/1006372495.db2.gz UJIWQMATZAOTAA-QUCCMNQESA-N 2 2 411.546 3.675 20 0 HHADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505839 1006504526 /nfs/dbraw/zinc/50/45/26/1006504526.db2.gz UHMVTYBJHAMIEF-ZEQRLZLVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505839 1006504533 /nfs/dbraw/zinc/50/45/33/1006504533.db2.gz UHMVTYBJHAMIEF-ZEQRLZLVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505839 1006504542 /nfs/dbraw/zinc/50/45/42/1006504542.db2.gz UHMVTYBJHAMIEF-ZEQRLZLVSA-N 2 2 403.570 3.632 20 0 HHADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000515505839 1006504548 /nfs/dbraw/zinc/50/45/48/1006504548.db2.gz UHMVTYBJHAMIEF-ZEQRLZLVSA-N 2 2 403.570 3.632 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531947521 1006537601 /nfs/dbraw/zinc/53/76/01/1006537601.db2.gz VGBBJLBVUYXMBW-OAHLLOKOSA-N 2 2 422.451 3.956 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989364 1006564071 /nfs/dbraw/zinc/56/40/71/1006564071.db2.gz QRGJJFNYIBVSIQ-AWEZNQCLSA-N 2 2 410.896 3.939 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348671 1006615887 /nfs/dbraw/zinc/61/58/87/1006615887.db2.gz CZDWYIZQXQOFPU-LJQANCHMSA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348671 1006615892 /nfs/dbraw/zinc/61/58/92/1006615892.db2.gz CZDWYIZQXQOFPU-LJQANCHMSA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348671 1006615897 /nfs/dbraw/zinc/61/58/97/1006615897.db2.gz CZDWYIZQXQOFPU-LJQANCHMSA-N 2 2 411.546 3.548 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000538348671 1006615901 /nfs/dbraw/zinc/61/59/01/1006615901.db2.gz CZDWYIZQXQOFPU-LJQANCHMSA-N 2 2 411.546 3.548 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)n2)C1 ZINC000515767165 1006656715 /nfs/dbraw/zinc/65/67/15/1006656715.db2.gz VGNSFWRFHQSDNI-QGZVFWFLSA-N 2 2 407.628 3.961 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)n2)C1 ZINC000515767165 1006656719 /nfs/dbraw/zinc/65/67/19/1006656719.db2.gz VGNSFWRFHQSDNI-QGZVFWFLSA-N 2 2 407.628 3.961 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000515795494 1006677306 /nfs/dbraw/zinc/67/73/06/1006677306.db2.gz VUZIRWGKCARRSL-ZRCGQRJVSA-N 2 2 424.589 3.590 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000515795494 1006677317 /nfs/dbraw/zinc/67/73/17/1006677317.db2.gz VUZIRWGKCARRSL-ZRCGQRJVSA-N 2 2 424.589 3.590 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891647 1006741520 /nfs/dbraw/zinc/74/15/20/1006741520.db2.gz WWBLDILYZZRIDE-DNQXCXABSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000515891647 1006741529 /nfs/dbraw/zinc/74/15/29/1006741529.db2.gz WWBLDILYZZRIDE-DNQXCXABSA-N 2 2 422.573 3.571 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601937 1006873409 /nfs/dbraw/zinc/87/34/09/1006873409.db2.gz FKPVMWDQDFJARR-MOXGXCLJSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601937 1006873427 /nfs/dbraw/zinc/87/34/27/1006873427.db2.gz FKPVMWDQDFJARR-MOXGXCLJSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601937 1006873439 /nfs/dbraw/zinc/87/34/39/1006873439.db2.gz FKPVMWDQDFJARR-MOXGXCLJSA-N 2 2 413.990 3.556 20 0 HHADLP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538601937 1006873450 /nfs/dbraw/zinc/87/34/50/1006873450.db2.gz FKPVMWDQDFJARR-MOXGXCLJSA-N 2 2 413.990 3.556 20 0 HHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000532442347 1006886055 /nfs/dbraw/zinc/88/60/55/1006886055.db2.gz SCKAAZXEEMSFIU-CEMLEFRQSA-N 3 2 404.668 3.669 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cn2)CC1 ZINC000532446978 1006888622 /nfs/dbraw/zinc/88/86/22/1006888622.db2.gz OSMXXSPWRCDHAI-IBGZPJMESA-N 3 2 404.562 3.568 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c2ccccc2)CC1 ZINC000516149608 1006918413 /nfs/dbraw/zinc/91/84/13/1006918413.db2.gz BRQROEIFYLHNHP-JOCHJYFZSA-N 2 2 409.578 3.534 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534931761 1006968800 /nfs/dbraw/zinc/96/88/00/1006968800.db2.gz ULDONZHWAOAEPB-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534931761 1006968809 /nfs/dbraw/zinc/96/88/09/1006968809.db2.gz ULDONZHWAOAEPB-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000534954852 1006998677 /nfs/dbraw/zinc/99/86/77/1006998677.db2.gz RPXUKAYHLSEJDY-UHFFFAOYSA-N 2 2 407.027 3.845 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000534954852 1006998692 /nfs/dbraw/zinc/99/86/92/1006998692.db2.gz RPXUKAYHLSEJDY-UHFFFAOYSA-N 2 2 407.027 3.845 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1)[NH+]1CCOCC1 ZINC000534966494 1007019996 /nfs/dbraw/zinc/01/99/96/1007019996.db2.gz XVUGTMJDUMBOND-QGZVFWFLSA-N 2 2 414.525 3.602 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534975548 1007033837 /nfs/dbraw/zinc/03/38/37/1007033837.db2.gz GSBWIZHXAIWVIO-JXFKEZNVSA-N 2 2 419.932 3.668 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534975548 1007033852 /nfs/dbraw/zinc/03/38/52/1007033852.db2.gz GSBWIZHXAIWVIO-JXFKEZNVSA-N 2 2 419.932 3.668 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626870 1007047932 /nfs/dbraw/zinc/04/79/32/1007047932.db2.gz UKRYTYCOCMWCKT-DNQXCXABSA-N 2 2 424.589 3.514 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626870 1007047944 /nfs/dbraw/zinc/04/79/44/1007047944.db2.gz UKRYTYCOCMWCKT-DNQXCXABSA-N 2 2 424.589 3.514 20 0 HHADLP CC(C)c1cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000535006414 1007063106 /nfs/dbraw/zinc/06/31/06/1007063106.db2.gz UKEMLFQQULQERP-UHFFFAOYSA-N 2 2 415.626 3.932 20 0 HHADLP C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007739 1007063525 /nfs/dbraw/zinc/06/35/25/1007063525.db2.gz VKUGVPMNUHRBBO-SAZLYLDSSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007739 1007063542 /nfs/dbraw/zinc/06/35/42/1007063542.db2.gz VKUGVPMNUHRBBO-SAZLYLDSSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007739 1007063553 /nfs/dbraw/zinc/06/35/53/1007063553.db2.gz VKUGVPMNUHRBBO-SAZLYLDSSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000535007739 1007063561 /nfs/dbraw/zinc/06/35/61/1007063561.db2.gz VKUGVPMNUHRBBO-SAZLYLDSSA-N 4 2 414.682 3.664 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093258 1007107304 /nfs/dbraw/zinc/10/73/04/1007107304.db2.gz BWSQNUUYFRTJMF-OIBXWCBGSA-N 2 2 401.595 3.558 20 0 HHADLP Cc1cccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535093258 1007107312 /nfs/dbraw/zinc/10/73/12/1007107312.db2.gz BWSQNUUYFRTJMF-OIBXWCBGSA-N 2 2 401.595 3.558 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535092941 1007107343 /nfs/dbraw/zinc/10/73/43/1007107343.db2.gz AYLDTVUKGSXJNM-DHIUTWEWSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535092941 1007107349 /nfs/dbraw/zinc/10/73/49/1007107349.db2.gz AYLDTVUKGSXJNM-DHIUTWEWSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093530 1007108362 /nfs/dbraw/zinc/10/83/62/1007108362.db2.gz DDOHRCOMCBRNNN-FCHUYYIVSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093530 1007108363 /nfs/dbraw/zinc/10/83/63/1007108363.db2.gz DDOHRCOMCBRNNN-FCHUYYIVSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095105 1007110703 /nfs/dbraw/zinc/11/07/03/1007110703.db2.gz JRKDFBTYWIITGR-UXHICEINSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095105 1007110711 /nfs/dbraw/zinc/11/07/11/1007110711.db2.gz JRKDFBTYWIITGR-UXHICEINSA-N 2 2 423.548 3.626 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095302 1007110945 /nfs/dbraw/zinc/11/09/45/1007110945.db2.gz MFULANNHTUGRLC-IOMROCGXSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095302 1007110948 /nfs/dbraw/zinc/11/09/48/1007110948.db2.gz MFULANNHTUGRLC-IOMROCGXSA-N 2 2 422.013 3.903 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095528 1007111307 /nfs/dbraw/zinc/11/13/07/1007111307.db2.gz OAEQIHZCODFNBM-MOPGFXCFSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095528 1007111315 /nfs/dbraw/zinc/11/13/15/1007111315.db2.gz OAEQIHZCODFNBM-MOPGFXCFSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097644 1007116663 /nfs/dbraw/zinc/11/66/63/1007116663.db2.gz XKUHOTSSGZVTDN-VXKWHMMOSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097644 1007116668 /nfs/dbraw/zinc/11/66/68/1007116668.db2.gz XKUHOTSSGZVTDN-VXKWHMMOSA-N 2 2 407.549 3.693 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097777 1007116962 /nfs/dbraw/zinc/11/69/62/1007116962.db2.gz XZWBSOSPZMULOG-TYCQWZJGSA-N 2 2 404.599 3.581 20 0 HHADLP Cc1noc(C)c1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097777 1007116967 /nfs/dbraw/zinc/11/69/67/1007116967.db2.gz XZWBSOSPZMULOG-TYCQWZJGSA-N 2 2 404.599 3.581 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535108830 1007133061 /nfs/dbraw/zinc/13/30/61/1007133061.db2.gz BLCXHCXNIHODTR-XZOQPEGZSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535108830 1007133068 /nfs/dbraw/zinc/13/30/68/1007133068.db2.gz BLCXHCXNIHODTR-XZOQPEGZSA-N 2 2 412.622 3.697 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535120043 1007152861 /nfs/dbraw/zinc/15/28/61/1007152861.db2.gz GEYMOTMJRYMOOE-JITRPMOWSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535120043 1007152866 /nfs/dbraw/zinc/15/28/66/1007152866.db2.gz GEYMOTMJRYMOOE-JITRPMOWSA-N 2 2 404.643 3.934 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000538878208 1007157719 /nfs/dbraw/zinc/15/77/19/1007157719.db2.gz LOJUASJXZHOQCX-UHFFFAOYSA-N 3 2 405.030 3.836 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847062 1007233162 /nfs/dbraw/zinc/23/31/62/1007233162.db2.gz BUALFAJWOOPLFF-WOJBJXKFSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000532847062 1007233165 /nfs/dbraw/zinc/23/31/65/1007233165.db2.gz BUALFAJWOOPLFF-WOJBJXKFSA-N 2 2 410.965 3.644 20 0 HHADLP Cc1noc(C)c1CC[NH+]1CCCC2(CCC[N@@H+](CCc3c(C)noc3C)C2)C1 ZINC000516688841 1007235106 /nfs/dbraw/zinc/23/51/06/1007235106.db2.gz MHCKLPRZURGMKA-UHFFFAOYSA-N 2 2 400.567 3.859 20 0 HHADLP Cc1noc(C)c1CC[NH+]1CCCC2(CCC[N@H+](CCc3c(C)noc3C)C2)C1 ZINC000516688841 1007235121 /nfs/dbraw/zinc/23/51/21/1007235121.db2.gz MHCKLPRZURGMKA-UHFFFAOYSA-N 2 2 400.567 3.859 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535211844 1007261572 /nfs/dbraw/zinc/26/15/72/1007261572.db2.gz NLDRFFJPYGHBCN-SFHVURJKSA-N 2 2 415.607 3.702 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535211844 1007261583 /nfs/dbraw/zinc/26/15/83/1007261583.db2.gz NLDRFFJPYGHBCN-SFHVURJKSA-N 2 2 415.607 3.702 20 0 HHADLP Cc1cc2ncc([C@@H](C)[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986228 1007280661 /nfs/dbraw/zinc/28/06/61/1007280661.db2.gz PKXNOMOPJHZKBY-OAQYLSRUSA-N 2 2 420.605 3.595 20 0 HHADLP CC(C[NH+]1CCC[C@@H](OCC(F)(F)F)C1)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532968844 1007335521 /nfs/dbraw/zinc/33/55/21/1007335521.db2.gz WYZNULOZKAIZGK-HZPDHXFCSA-N 2 2 420.438 3.709 20 0 HHADLP CC(C[NH+]1CCC[C@@H](OCC(F)(F)F)C1)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000532968844 1007335535 /nfs/dbraw/zinc/33/55/35/1007335535.db2.gz WYZNULOZKAIZGK-HZPDHXFCSA-N 2 2 420.438 3.709 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000539049404 1007346580 /nfs/dbraw/zinc/34/65/80/1007346580.db2.gz HVWZQLAAVPMACZ-PGRDOPGGSA-N 2 2 412.559 3.964 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000539070161 1007361948 /nfs/dbraw/zinc/36/19/48/1007361948.db2.gz HKBZEYNUCBNSCE-SFHVURJKSA-N 2 2 412.559 3.754 20 0 HHADLP C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539083547 1007373670 /nfs/dbraw/zinc/37/36/70/1007373670.db2.gz OOUPDCICKAECBY-OAHLLOKOSA-N 2 2 413.319 3.715 20 0 HHADLP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)CC1 ZINC000535328087 1007381064 /nfs/dbraw/zinc/38/10/64/1007381064.db2.gz RRVAGDJVRVYZBO-IBGZPJMESA-N 2 2 405.546 3.797 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000517130049 1007444554 /nfs/dbraw/zinc/44/45/54/1007444554.db2.gz PBCQLVKPVHWSLM-VQIMIIECSA-N 2 2 402.564 3.566 20 0 HHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000539262739 1007558715 /nfs/dbraw/zinc/55/87/15/1007558715.db2.gz NDGXEDVBGVNXDP-IBGZPJMESA-N 2 2 411.546 3.595 20 0 HHADLP O=C(CC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539326024 1007625104 /nfs/dbraw/zinc/62/51/04/1007625104.db2.gz KUOQMUJQVWLUPA-XMMPIXPASA-N 2 2 410.537 3.781 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000535668532 1007686664 /nfs/dbraw/zinc/68/66/64/1007686664.db2.gz OKXWYDKWYBXJTN-XMMPIXPASA-N 2 2 420.532 3.507 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000535668532 1007686675 /nfs/dbraw/zinc/68/66/75/1007686675.db2.gz OKXWYDKWYBXJTN-XMMPIXPASA-N 2 2 420.532 3.507 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458950 1007769738 /nfs/dbraw/zinc/76/97/38/1007769738.db2.gz RNDQOZVTLAUSAE-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458950 1007769743 /nfs/dbraw/zinc/76/97/43/1007769743.db2.gz RNDQOZVTLAUSAE-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000535800110 1007805959 /nfs/dbraw/zinc/80/59/59/1007805959.db2.gz RAOJYRLQMOLBHO-LZQZEXGQSA-N 2 2 408.384 3.527 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000535800110 1007805971 /nfs/dbraw/zinc/80/59/71/1007805971.db2.gz RAOJYRLQMOLBHO-LZQZEXGQSA-N 2 2 408.384 3.527 20 0 HHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC(F)F ZINC000539525572 1007833863 /nfs/dbraw/zinc/83/38/63/1007833863.db2.gz BERNLXMYXKUPIC-UHFFFAOYSA-N 2 2 406.477 3.834 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533527471 1007848187 /nfs/dbraw/zinc/84/81/87/1007848187.db2.gz JQMKDPSSSQHHBV-INIZCTEOSA-N 2 2 409.361 3.733 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000517644556 1007855606 /nfs/dbraw/zinc/85/56/06/1007855606.db2.gz LKOABVHFQHURGT-OAQYLSRUSA-N 2 2 407.518 3.695 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849383 1007862718 /nfs/dbraw/zinc/86/27/18/1007862718.db2.gz YZTFLBFQYXMWBP-RTWAWAEBSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849383 1007862722 /nfs/dbraw/zinc/86/27/22/1007862722.db2.gz YZTFLBFQYXMWBP-RTWAWAEBSA-N 2 2 407.986 3.514 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851726 1007866292 /nfs/dbraw/zinc/86/62/92/1007866292.db2.gz NKZJQRIUKHTGDH-BULFRSBZSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851726 1007866301 /nfs/dbraw/zinc/86/63/01/1007866301.db2.gz NKZJQRIUKHTGDH-BULFRSBZSA-N 2 2 422.013 3.903 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535854215 1007868245 /nfs/dbraw/zinc/86/82/45/1007868245.db2.gz FOSABIKICLFXET-NHCUHLMSSA-N 2 2 422.013 3.687 20 0 HHADLP COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535854215 1007868255 /nfs/dbraw/zinc/86/82/55/1007868255.db2.gz FOSABIKICLFXET-NHCUHLMSSA-N 2 2 422.013 3.687 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856906 1007872375 /nfs/dbraw/zinc/87/23/75/1007872375.db2.gz SGIZPSLVJOIRGG-PMACEKPBSA-N 2 2 423.001 3.543 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856906 1007872384 /nfs/dbraw/zinc/87/23/84/1007872384.db2.gz SGIZPSLVJOIRGG-PMACEKPBSA-N 2 2 423.001 3.543 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000517684430 1007898518 /nfs/dbraw/zinc/89/85/18/1007898518.db2.gz ILDAUAYCJBFQAA-HSZRJFAPSA-N 2 2 421.545 3.763 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1Cl ZINC000517715335 1007927209 /nfs/dbraw/zinc/92/72/09/1007927209.db2.gz QJVSDSRFTCOQBI-FQEVSTJZSA-N 2 2 421.010 3.574 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646878 1007955221 /nfs/dbraw/zinc/95/52/21/1007955221.db2.gz HLEGTLUXLCUMDJ-DQEYMECFSA-N 2 2 424.633 3.999 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646878 1007955234 /nfs/dbraw/zinc/95/52/34/1007955234.db2.gz HLEGTLUXLCUMDJ-DQEYMECFSA-N 2 2 424.633 3.999 20 0 HHADLP CN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648302 1007958198 /nfs/dbraw/zinc/95/81/98/1007958198.db2.gz LESJAWFJVZTXOF-UHCVVMIDSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648302 1007958211 /nfs/dbraw/zinc/95/82/11/1007958211.db2.gz LESJAWFJVZTXOF-UHCVVMIDSA-N 2 2 409.618 3.686 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662922 1007979019 /nfs/dbraw/zinc/97/90/19/1007979019.db2.gz MCCCAIBRHUKXGJ-XZOQPEGZSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662922 1007979026 /nfs/dbraw/zinc/97/90/26/1007979026.db2.gz MCCCAIBRHUKXGJ-XZOQPEGZSA-N 2 2 422.658 3.704 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903446 1008046942 /nfs/dbraw/zinc/04/69/42/1008046942.db2.gz NFPNBFCLJNLSFO-HYBUGGRVSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903446 1008046948 /nfs/dbraw/zinc/04/69/48/1008046948.db2.gz NFPNBFCLJNLSFO-HYBUGGRVSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@@H](C)O1 ZINC000518099845 1008158794 /nfs/dbraw/zinc/15/87/94/1008158794.db2.gz IWMRAIBQNDHULT-UAFMIMERSA-N 2 2 402.583 3.680 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+](Cc2cccnc2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000540100801 1008287895 /nfs/dbraw/zinc/28/78/95/1008287895.db2.gz FHQNFMDIVDEALY-DEOSSOPVSA-N 2 2 424.589 3.644 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+](Cc2cccnc2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000540100801 1008287898 /nfs/dbraw/zinc/28/78/98/1008287898.db2.gz FHQNFMDIVDEALY-DEOSSOPVSA-N 2 2 424.589 3.644 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318859 /nfs/dbraw/zinc/31/88/59/1008318859.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 2 2 420.601 3.675 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318861 /nfs/dbraw/zinc/31/88/61/1008318861.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 2 2 420.601 3.675 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)cc1 ZINC000540168066 1008319960 /nfs/dbraw/zinc/31/99/60/1008319960.db2.gz BQFQPZATANMZKD-DVECYGJZSA-N 2 2 407.558 3.627 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2)cc1 ZINC000540168066 1008319967 /nfs/dbraw/zinc/31/99/67/1008319967.db2.gz BQFQPZATANMZKD-DVECYGJZSA-N 2 2 407.558 3.627 20 0 HHADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540181356 1008325744 /nfs/dbraw/zinc/32/57/44/1008325744.db2.gz GZTGKIRJWFRFRV-UHFFFAOYSA-N 2 2 417.351 3.740 20 0 HHADLP COC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000540409188 1008421145 /nfs/dbraw/zinc/42/11/45/1008421145.db2.gz ADGHALNNYADYEJ-VXKWHMMOSA-N 2 2 415.965 3.570 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1)C[C@@H]1CCCCO1 ZINC000540419956 1008425371 /nfs/dbraw/zinc/42/53/71/1008425371.db2.gz OGULNIHJRPPFOG-KNQAVFIVSA-N 2 2 419.635 3.842 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1)C[C@@H]1CCCCO1 ZINC000540419956 1008425372 /nfs/dbraw/zinc/42/53/72/1008425372.db2.gz OGULNIHJRPPFOG-KNQAVFIVSA-N 2 2 419.635 3.842 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1)C[C@H]1CCCCO1 ZINC000540419958 1008425412 /nfs/dbraw/zinc/42/54/12/1008425412.db2.gz OGULNIHJRPPFOG-SIKLNZKXSA-N 2 2 419.635 3.842 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1)C[C@H]1CCCCO1 ZINC000540419958 1008425414 /nfs/dbraw/zinc/42/54/14/1008425414.db2.gz OGULNIHJRPPFOG-SIKLNZKXSA-N 2 2 419.635 3.842 20 0 HHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000518882236 1008458095 /nfs/dbraw/zinc/45/80/95/1008458095.db2.gz OCHACWLAUIURPU-LJQANCHMSA-N 2 2 412.553 3.817 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540525775 1008467389 /nfs/dbraw/zinc/46/73/89/1008467389.db2.gz KMPFYETZKVHHLW-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540525775 1008467391 /nfs/dbraw/zinc/46/73/91/1008467391.db2.gz KMPFYETZKVHHLW-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc4nccn43)CC2)c1 ZINC000540544127 1008475043 /nfs/dbraw/zinc/47/50/43/1008475043.db2.gz NGVHTIYSKCRJCV-UHFFFAOYSA-N 2 2 417.479 3.655 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549960 1008477267 /nfs/dbraw/zinc/47/72/67/1008477267.db2.gz QOWFGRZRMPBIJU-RTWAWAEBSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549960 1008477269 /nfs/dbraw/zinc/47/72/69/1008477269.db2.gz QOWFGRZRMPBIJU-RTWAWAEBSA-N 2 2 418.630 3.730 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553849 1008478891 /nfs/dbraw/zinc/47/88/91/1008478891.db2.gz OPURMOMBOALFMD-VXKWHMMOSA-N 2 2 418.630 3.793 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553849 1008478892 /nfs/dbraw/zinc/47/88/92/1008478892.db2.gz OPURMOMBOALFMD-VXKWHMMOSA-N 2 2 418.630 3.793 20 0 HHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000518967128 1008489705 /nfs/dbraw/zinc/48/97/05/1008489705.db2.gz BMTMKZJGWFJONV-HXUWFJFHSA-N 2 2 411.594 3.674 20 0 HHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000518967128 1008489708 /nfs/dbraw/zinc/48/97/08/1008489708.db2.gz BMTMKZJGWFJONV-HXUWFJFHSA-N 2 2 411.594 3.674 20 0 HHADLP C[N@H+](CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000519207855 1008612818 /nfs/dbraw/zinc/61/28/18/1008612818.db2.gz GKBBRQZIIYMWRE-IBGZPJMESA-N 2 2 410.965 3.790 20 0 HHADLP C[N@@H+](CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000519207855 1008612826 /nfs/dbraw/zinc/61/28/26/1008612826.db2.gz GKBBRQZIIYMWRE-IBGZPJMESA-N 2 2 410.965 3.790 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+]2CCCC2)o1 ZINC000543041050 1008623111 /nfs/dbraw/zinc/62/31/11/1008623111.db2.gz NQSRLFFGGGYHSR-NRFANRHFSA-N 2 2 413.566 3.823 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040800 1008623197 /nfs/dbraw/zinc/62/31/97/1008623197.db2.gz KTMRPDVHXUIGAL-QPPBQGQZSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543040800 1008623206 /nfs/dbraw/zinc/62/32/06/1008623206.db2.gz KTMRPDVHXUIGAL-QPPBQGQZSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543043766 1008626211 /nfs/dbraw/zinc/62/62/11/1008626211.db2.gz KGSQZPAMHZJAJB-FPOVZHCZSA-N 2 2 401.599 3.738 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543043766 1008626218 /nfs/dbraw/zinc/62/62/18/1008626218.db2.gz KGSQZPAMHZJAJB-FPOVZHCZSA-N 2 2 401.599 3.738 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061521 1008639197 /nfs/dbraw/zinc/63/91/97/1008639197.db2.gz YRDLGWMWQORYBN-KRWDZBQOSA-N 2 2 404.505 3.873 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543107205 1008679895 /nfs/dbraw/zinc/67/98/95/1008679895.db2.gz JQKDTOUOXCRUSW-FGZHOGPDSA-N 2 2 419.585 3.779 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543107205 1008679903 /nfs/dbraw/zinc/67/99/03/1008679903.db2.gz JQKDTOUOXCRUSW-FGZHOGPDSA-N 2 2 419.585 3.779 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1OC(F)(F)F ZINC000543233368 1008800883 /nfs/dbraw/zinc/80/08/83/1008800883.db2.gz QOMMKLSVYZARHX-AWEZNQCLSA-N 2 2 411.449 3.773 20 0 HHADLP C[NH+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CCCN(CC[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000519481707 1008855647 /nfs/dbraw/zinc/85/56/47/1008855647.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CCCN(CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000519481707 1008855659 /nfs/dbraw/zinc/85/56/59/1008855659.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CCN1CCC[C@@]2(CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481707 1008855673 /nfs/dbraw/zinc/85/56/73/1008855673.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CCN1CCC[C@@]2(CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481707 1008855692 /nfs/dbraw/zinc/85/56/92/1008855692.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000519481707 1008855708 /nfs/dbraw/zinc/85/57/08/1008855708.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000519481707 1008855726 /nfs/dbraw/zinc/85/57/26/1008855726.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481707 1008855741 /nfs/dbraw/zinc/85/57/41/1008855741.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCCN(CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000519481707 1008855749 /nfs/dbraw/zinc/85/57/49/1008855749.db2.gz WRJPVZYMHCDOJZ-DSNGMDLFSA-N 3 2 404.687 3.913 20 0 HHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545939564 1009010301 /nfs/dbraw/zinc/01/03/01/1009010301.db2.gz LEADMFTXHRSIMB-CHWSQXEVSA-N 2 2 404.527 3.863 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000519913256 1009072721 /nfs/dbraw/zinc/07/27/21/1009072721.db2.gz OUOQQMHBTISQON-QHCPKHFHSA-N 2 2 409.599 3.689 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543514567 1009104194 /nfs/dbraw/zinc/10/41/94/1009104194.db2.gz QZWQZWKUBDHKQL-JENIJYKNSA-N 2 2 414.619 3.870 20 0 HHADLP C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543514567 1009104347 /nfs/dbraw/zinc/10/43/47/1009104347.db2.gz QZWQZWKUBDHKQL-JENIJYKNSA-N 2 2 414.619 3.870 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000546083109 1009107516 /nfs/dbraw/zinc/10/75/16/1009107516.db2.gz LKRAECITYMCEDJ-NRFANRHFSA-N 2 2 406.555 3.739 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000546083109 1009107532 /nfs/dbraw/zinc/10/75/32/1009107532.db2.gz LKRAECITYMCEDJ-NRFANRHFSA-N 2 2 406.555 3.739 20 0 HHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000546307208 1009324036 /nfs/dbraw/zinc/32/40/36/1009324036.db2.gz HVXPSAUPCGGNLW-HSZRJFAPSA-N 2 2 400.530 3.795 20 0 HHADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000543874758 1009445316 /nfs/dbraw/zinc/44/53/16/1009445316.db2.gz OJRULEQEDNZBPL-LJQANCHMSA-N 2 2 410.400 3.810 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543903144 1009486306 /nfs/dbraw/zinc/48/63/06/1009486306.db2.gz AJCFJRBEIPFILY-NBHGPNQESA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543903144 1009486310 /nfs/dbraw/zinc/48/63/10/1009486310.db2.gz AJCFJRBEIPFILY-NBHGPNQESA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543903143 1009486367 /nfs/dbraw/zinc/48/63/67/1009486367.db2.gz AJCFJRBEIPFILY-LRQRDZAKSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543903143 1009486373 /nfs/dbraw/zinc/48/63/73/1009486373.db2.gz AJCFJRBEIPFILY-LRQRDZAKSA-N 2 2 424.511 3.509 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000520611821 1009687501 /nfs/dbraw/zinc/68/75/01/1009687501.db2.gz ZKXHKYJYBZIXCG-OAQYLSRUSA-N 2 2 407.002 3.849 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000520611821 1009687508 /nfs/dbraw/zinc/68/75/08/1009687508.db2.gz ZKXHKYJYBZIXCG-OAQYLSRUSA-N 2 2 407.002 3.849 20 0 HHADLP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544106310 1009715991 /nfs/dbraw/zinc/71/59/91/1009715991.db2.gz FTKOPFGBMTWKBN-UHFFFAOYSA-N 2 2 403.573 3.795 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360107 1009986824 /nfs/dbraw/zinc/98/68/24/1009986824.db2.gz SLGUHGIRKMNCSO-VWNXMTODSA-N 2 2 403.526 3.856 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)C1 ZINC000544360107 1009986833 /nfs/dbraw/zinc/98/68/33/1009986833.db2.gz SLGUHGIRKMNCSO-VWNXMTODSA-N 2 2 403.526 3.856 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520985309 1010025764 /nfs/dbraw/zinc/02/57/64/1010025764.db2.gz REJNNCFBVALOSK-QHCPKHFHSA-N 2 2 409.578 3.775 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520985309 1010025779 /nfs/dbraw/zinc/02/57/79/1010025779.db2.gz REJNNCFBVALOSK-QHCPKHFHSA-N 2 2 409.578 3.775 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544416425 1010033232 /nfs/dbraw/zinc/03/32/32/1010033232.db2.gz ZOMQOKGTIPFWBG-ZWKOTPCHSA-N 2 2 406.983 3.791 20 0 HHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000521058791 1010078811 /nfs/dbraw/zinc/07/88/11/1010078811.db2.gz BIEXKDAHLBWJFL-XLIONFOSSA-N 2 2 417.985 3.834 20 0 HHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000550691063 1010104543 /nfs/dbraw/zinc/10/45/43/1010104543.db2.gz WUKHYDIBCLNUKH-UHFFFAOYSA-N 2 2 403.486 3.662 20 0 HHADLP Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000544511739 1010135323 /nfs/dbraw/zinc/13/53/23/1010135323.db2.gz HPVQZUACNUTBCI-YJBOKZPZSA-N 2 2 406.983 3.709 20 0 HHADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000521193930 1010222693 /nfs/dbraw/zinc/22/26/93/1010222693.db2.gz YMIPEMIINQEWBC-DEOSSOPVSA-N 2 2 407.558 3.857 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000521193930 1010222708 /nfs/dbraw/zinc/22/27/08/1010222708.db2.gz YMIPEMIINQEWBC-DEOSSOPVSA-N 2 2 407.558 3.857 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000550960618 1010281659 /nfs/dbraw/zinc/28/16/59/1010281659.db2.gz GVWYQGVDBNGDPR-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000550960618 1010281667 /nfs/dbraw/zinc/28/16/67/1010281667.db2.gz GVWYQGVDBNGDPR-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)c2C1 ZINC000544718068 1010326267 /nfs/dbraw/zinc/32/62/67/1010326267.db2.gz VJPMRBXIBRIXTH-HXUWFJFHSA-N 2 2 414.553 3.617 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)c2C1 ZINC000544718068 1010326281 /nfs/dbraw/zinc/32/62/81/1010326281.db2.gz VJPMRBXIBRIXTH-HXUWFJFHSA-N 2 2 414.553 3.617 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C1 ZINC000544718068 1010326294 /nfs/dbraw/zinc/32/62/94/1010326294.db2.gz VJPMRBXIBRIXTH-HXUWFJFHSA-N 2 2 414.553 3.617 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2C1 ZINC000544718068 1010326301 /nfs/dbraw/zinc/32/63/01/1010326301.db2.gz VJPMRBXIBRIXTH-HXUWFJFHSA-N 2 2 414.553 3.617 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000547506159 1010332620 /nfs/dbraw/zinc/33/26/20/1010332620.db2.gz XAYLYJFERVVERP-MRXNPFEDSA-N 2 2 406.546 3.689 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000547506159 1010332632 /nfs/dbraw/zinc/33/26/32/1010332632.db2.gz XAYLYJFERVVERP-MRXNPFEDSA-N 2 2 406.546 3.689 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547654080 1010383565 /nfs/dbraw/zinc/38/35/65/1010383565.db2.gz LFQBEBYJESCRBD-NHCUHLMSSA-N 2 2 402.970 3.621 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547654080 1010383571 /nfs/dbraw/zinc/38/35/71/1010383571.db2.gz LFQBEBYJESCRBD-NHCUHLMSSA-N 2 2 402.970 3.621 20 0 HHADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551274318 1010487913 /nfs/dbraw/zinc/48/79/13/1010487913.db2.gz DUHLQZDQPSXVQY-MGPUTAFESA-N 2 2 421.354 3.528 20 0 HHADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551274318 1010487922 /nfs/dbraw/zinc/48/79/22/1010487922.db2.gz DUHLQZDQPSXVQY-MGPUTAFESA-N 2 2 421.354 3.528 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(c2ccccc2)CCCC1 ZINC000548168554 1010550431 /nfs/dbraw/zinc/55/04/31/1010550431.db2.gz NJVQJTKQHIISFP-NRFANRHFSA-N 2 2 406.574 3.610 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000551441588 1010587752 /nfs/dbraw/zinc/58/77/52/1010587752.db2.gz COXAIWJORARRRB-ZVDOUQERSA-N 2 2 415.969 3.718 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000551441588 1010587759 /nfs/dbraw/zinc/58/77/59/1010587759.db2.gz COXAIWJORARRRB-ZVDOUQERSA-N 2 2 415.969 3.718 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548322903 1010594784 /nfs/dbraw/zinc/59/47/84/1010594784.db2.gz ISUFKQQDDUGUEX-RTWAWAEBSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548322903 1010594790 /nfs/dbraw/zinc/59/47/90/1010594790.db2.gz ISUFKQQDDUGUEX-RTWAWAEBSA-N 2 2 418.630 3.730 20 0 HHADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000548773375 1010727603 /nfs/dbraw/zinc/72/76/03/1010727603.db2.gz DVTURQILGFLVJC-JOCHJYFZSA-N 2 2 410.587 3.756 20 0 HHADLP C[N@H+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000548773375 1010727610 /nfs/dbraw/zinc/72/76/10/1010727610.db2.gz DVTURQILGFLVJC-JOCHJYFZSA-N 2 2 410.587 3.756 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000522626722 1011121952 /nfs/dbraw/zinc/12/19/52/1011121952.db2.gz SGRHGBMRZNYYFJ-DBXWQHBBSA-N 2 2 404.599 3.784 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000522626724 1011122132 /nfs/dbraw/zinc/12/21/32/1011122132.db2.gz SGRHGBMRZNYYFJ-OPYAIIAOSA-N 2 2 404.599 3.784 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000522668390 1011149206 /nfs/dbraw/zinc/14/92/06/1011149206.db2.gz QTPVUYUYTNGPLA-UHFFFAOYSA-N 2 2 422.573 3.837 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)c1ccccc1O2 ZINC000522745665 1011191485 /nfs/dbraw/zinc/19/14/85/1011191485.db2.gz JBMRKJRQJBXVIN-NRFANRHFSA-N 2 2 402.498 3.590 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000540602757 1011256443 /nfs/dbraw/zinc/25/64/43/1011256443.db2.gz PINPCCQZDRQMCA-QGZVFWFLSA-N 2 2 411.493 3.863 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000540602757 1011256456 /nfs/dbraw/zinc/25/64/56/1011256456.db2.gz PINPCCQZDRQMCA-QGZVFWFLSA-N 2 2 411.493 3.863 20 0 HHADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540608311 1011260325 /nfs/dbraw/zinc/26/03/25/1011260325.db2.gz QPVUIUGWSJJDEI-IFMALSPDSA-N 2 2 423.605 3.628 20 0 HHADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540608332 1011260844 /nfs/dbraw/zinc/26/08/44/1011260844.db2.gz QPVUIUGWSJJDEI-UNMCSNQZSA-N 2 2 423.605 3.628 20 0 HHADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235711 1011386151 /nfs/dbraw/zinc/38/61/51/1011386151.db2.gz YUOHTFPHMRDMOQ-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000536235711 1011386160 /nfs/dbraw/zinc/38/61/60/1011386160.db2.gz YUOHTFPHMRDMOQ-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc(OC)c1OC ZINC000540790031 1011450689 /nfs/dbraw/zinc/45/06/89/1011450689.db2.gz BXCCWFUIAJBUJI-MRXNPFEDSA-N 2 2 414.550 3.811 20 0 HHADLP O=C(CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000536301456 1011490865 /nfs/dbraw/zinc/49/08/65/1011490865.db2.gz BUGCWXUCTKPJGQ-IBGZPJMESA-N 2 2 419.356 3.704 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(F)ccc2F)c1 ZINC000540908281 1011578387 /nfs/dbraw/zinc/57/83/87/1011578387.db2.gz CEWWYBCASUXXTL-OAQYLSRUSA-N 2 2 419.497 3.724 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(CN3CCCC3)cs2)cc1 ZINC000541022430 1011656488 /nfs/dbraw/zinc/65/64/88/1011656488.db2.gz DOKRUVDBFZMUSH-INIZCTEOSA-N 2 2 424.574 3.522 20 0 HHADLP Brc1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000541065706 1011704303 /nfs/dbraw/zinc/70/43/03/1011704303.db2.gz SGXJQQZVLOSGRA-UHFFFAOYSA-N 2 2 423.424 3.593 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541110407 1011759012 /nfs/dbraw/zinc/75/90/12/1011759012.db2.gz YYVVEFWQQYUCSQ-RTBURBONSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541110407 1011759025 /nfs/dbraw/zinc/75/90/25/1011759025.db2.gz YYVVEFWQQYUCSQ-RTBURBONSA-N 2 2 421.948 3.897 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)CC2)nc1 ZINC000536653473 1011802060 /nfs/dbraw/zinc/80/20/60/1011802060.db2.gz MFWGCZQOSKYQFI-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)CC2)nc1 ZINC000536653473 1011802078 /nfs/dbraw/zinc/80/20/78/1011802078.db2.gz MFWGCZQOSKYQFI-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000541215069 1011887303 /nfs/dbraw/zinc/88/73/03/1011887303.db2.gz ORXFCTSTWMLXDI-ZEQKJWHPSA-N 2 2 419.569 3.760 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000541215069 1011887320 /nfs/dbraw/zinc/88/73/20/1011887320.db2.gz ORXFCTSTWMLXDI-ZEQKJWHPSA-N 2 2 419.569 3.760 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000551985314 1012037176 /nfs/dbraw/zinc/03/71/76/1012037176.db2.gz PXAFQLQVHGWPDD-AWEZNQCLSA-N 2 2 401.511 3.803 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000551985314 1012037192 /nfs/dbraw/zinc/03/71/92/1012037192.db2.gz PXAFQLQVHGWPDD-AWEZNQCLSA-N 2 2 401.511 3.803 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000536895545 1012148409 /nfs/dbraw/zinc/14/84/09/1012148409.db2.gz CCGIRCUNMNDPCI-CALCHBBNSA-N 2 2 403.954 3.983 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000536895545 1012148563 /nfs/dbraw/zinc/14/85/63/1012148563.db2.gz CCGIRCUNMNDPCI-CALCHBBNSA-N 2 2 403.954 3.983 20 0 HHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000536924067 1012207288 /nfs/dbraw/zinc/20/72/88/1012207288.db2.gz CISZPBDVQILVRU-HSZRJFAPSA-N 2 2 423.605 3.631 20 0 HHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000536924067 1012207310 /nfs/dbraw/zinc/20/73/10/1012207310.db2.gz CISZPBDVQILVRU-HSZRJFAPSA-N 2 2 423.605 3.631 20 0 HHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000536934293 1012224718 /nfs/dbraw/zinc/22/47/18/1012224718.db2.gz HNRIDAZBNBTHLQ-WOJBJXKFSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000536934292 1012225165 /nfs/dbraw/zinc/22/51/65/1012225165.db2.gz HNRIDAZBNBTHLQ-PMACEKPBSA-N 2 2 413.562 3.740 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942334 1012237955 /nfs/dbraw/zinc/23/79/55/1012237955.db2.gz GHRCHULRTJOZGB-FUMNGEBKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942334 1012237964 /nfs/dbraw/zinc/23/79/64/1012237964.db2.gz GHRCHULRTJOZGB-FUMNGEBKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942334 1012237975 /nfs/dbraw/zinc/23/79/75/1012237975.db2.gz GHRCHULRTJOZGB-FUMNGEBKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536942334 1012237991 /nfs/dbraw/zinc/23/79/91/1012237991.db2.gz GHRCHULRTJOZGB-FUMNGEBKSA-N 2 2 408.949 3.540 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942769 1012239557 /nfs/dbraw/zinc/23/95/57/1012239557.db2.gz UUOBLNXYUZIMOJ-PMACEKPBSA-N 2 2 410.965 3.598 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942769 1012239574 /nfs/dbraw/zinc/23/95/74/1012239574.db2.gz UUOBLNXYUZIMOJ-PMACEKPBSA-N 2 2 410.965 3.598 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944152 1012244247 /nfs/dbraw/zinc/24/42/47/1012244247.db2.gz KWWIICFQSZCHPA-ZLGUVYLKSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944152 1012244265 /nfs/dbraw/zinc/24/42/65/1012244265.db2.gz KWWIICFQSZCHPA-ZLGUVYLKSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944152 1012244293 /nfs/dbraw/zinc/24/42/93/1012244293.db2.gz KWWIICFQSZCHPA-ZLGUVYLKSA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944152 1012244305 /nfs/dbraw/zinc/24/43/05/1012244305.db2.gz KWWIICFQSZCHPA-ZLGUVYLKSA-N 2 2 424.992 3.988 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000541521318 1012302661 /nfs/dbraw/zinc/30/26/61/1012302661.db2.gz AKQFDHGRMKBRJH-HXUWFJFHSA-N 2 2 401.599 3.594 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537018930 1012324244 /nfs/dbraw/zinc/32/42/44/1012324244.db2.gz ZCXHZKMFEKTRGK-UHFFFAOYSA-N 2 2 408.346 3.881 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000537018930 1012324256 /nfs/dbraw/zinc/32/42/56/1012324256.db2.gz ZCXHZKMFEKTRGK-UHFFFAOYSA-N 2 2 408.346 3.881 20 0 HHADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1F ZINC000552336778 1012348732 /nfs/dbraw/zinc/34/87/32/1012348732.db2.gz JHXAFZVNNYNKMC-RTFFYQOYSA-N 2 2 417.569 3.534 20 0 HHADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1F ZINC000552336778 1012348749 /nfs/dbraw/zinc/34/87/49/1012348749.db2.gz JHXAFZVNNYNKMC-RTFFYQOYSA-N 2 2 417.569 3.534 20 0 HHADLP O=C(CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000537104294 1012470932 /nfs/dbraw/zinc/47/09/32/1012470932.db2.gz QOPBZOJCOTXYBI-QHCPKHFHSA-N 2 2 412.965 3.905 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812532 1012488808 /nfs/dbraw/zinc/48/88/08/1012488808.db2.gz FNWKSHYHDIZNGS-QFBILLFUSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812532 1012488822 /nfs/dbraw/zinc/48/88/22/1012488822.db2.gz FNWKSHYHDIZNGS-QFBILLFUSA-N 2 2 410.965 3.646 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000523940376 1012674395 /nfs/dbraw/zinc/67/43/95/1012674395.db2.gz JHWXSYUBCAWBQE-WOJBJXKFSA-N 2 2 418.969 3.980 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238637 1012677171 /nfs/dbraw/zinc/67/71/71/1012677171.db2.gz ZAFMZBHDFKSAQT-NHCUHLMSSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000537238637 1012677183 /nfs/dbraw/zinc/67/71/83/1012677183.db2.gz ZAFMZBHDFKSAQT-NHCUHLMSSA-N 2 2 418.582 3.505 20 0 HHADLP NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000541800750 1012678129 /nfs/dbraw/zinc/67/81/29/1012678129.db2.gz LRAYBFNFMOCIBT-RUZDIDTESA-N 2 2 410.521 3.785 20 0 HHADLP CCOC(=O)C1CCC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000537301718 1012758715 /nfs/dbraw/zinc/75/87/15/1012758715.db2.gz LHPQGWMSWXLBGG-UHFFFAOYSA-N 2 2 407.986 3.564 20 0 HHADLP COc1cccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)c1 ZINC000552818830 1012829008 /nfs/dbraw/zinc/82/90/08/1012829008.db2.gz GTNLLLFYFNCTKD-GOTSBHOMSA-N 2 2 418.541 3.894 20 0 HHADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CC2 ZINC000552881677 1012889181 /nfs/dbraw/zinc/88/91/81/1012889181.db2.gz JVWOZPKEYSZIAN-GOSISDBHSA-N 2 2 420.479 3.507 20 0 HHADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CC2 ZINC000552881677 1012889200 /nfs/dbraw/zinc/88/92/00/1012889200.db2.gz JVWOZPKEYSZIAN-GOSISDBHSA-N 2 2 420.479 3.507 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042794 1012945957 /nfs/dbraw/zinc/94/59/57/1012945957.db2.gz MBBMXUQKPFBEGV-DUAZQRCJSA-N 2 2 424.511 3.554 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042794 1012945964 /nfs/dbraw/zinc/94/59/64/1012945964.db2.gz MBBMXUQKPFBEGV-DUAZQRCJSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042794 1012945974 /nfs/dbraw/zinc/94/59/74/1012945974.db2.gz MBBMXUQKPFBEGV-DUAZQRCJSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542042794 1012945984 /nfs/dbraw/zinc/94/59/84/1012945984.db2.gz MBBMXUQKPFBEGV-DUAZQRCJSA-N 2 2 424.511 3.554 20 0 HHADLP CCN1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542064679 1012985206 /nfs/dbraw/zinc/98/52/06/1012985206.db2.gz VVMHYTMFBWIDRK-SIKLNZKXSA-N 2 2 404.480 3.893 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000904498000 1071794395 /nfs/dbraw/zinc/79/43/95/1071794395.db2.gz VADTYAGBZFXPHB-QFIPXVFZSA-N 2 2 404.514 3.558 20 0 HHADLP c1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000904498000 1071794404 /nfs/dbraw/zinc/79/44/04/1071794404.db2.gz VADTYAGBZFXPHB-QFIPXVFZSA-N 2 2 404.514 3.558 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683950 1071805122 /nfs/dbraw/zinc/80/51/22/1071805122.db2.gz HGTNKQUPGKYQQS-RPWUZVMVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729683950 1071805134 /nfs/dbraw/zinc/80/51/34/1071805134.db2.gz HGTNKQUPGKYQQS-RPWUZVMVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684555 1071808266 /nfs/dbraw/zinc/80/82/66/1071808266.db2.gz QYKKQDCRILIVBE-RPWUZVMVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684555 1071808274 /nfs/dbraw/zinc/80/82/74/1071808274.db2.gz QYKKQDCRILIVBE-RPWUZVMVSA-N 2 2 420.532 3.940 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1OCCCO ZINC000571135250 1072574687 /nfs/dbraw/zinc/57/46/87/1072574687.db2.gz DUZLTAONZFYPBN-HNNXBMFYSA-N 2 2 411.384 3.735 20 0 HHADLP CC[N@H+](Cc1nnc2n1CCCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555036365 1073083971 /nfs/dbraw/zinc/08/39/71/1073083971.db2.gz SZNWVMWXIXMFKI-UHFFFAOYSA-N 2 2 411.598 3.717 20 0 HHADLP CC[N@@H+](Cc1nnc2n1CCCCC2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555036365 1073083986 /nfs/dbraw/zinc/08/39/86/1073083986.db2.gz SZNWVMWXIXMFKI-UHFFFAOYSA-N 2 2 411.598 3.717 20 0 HHADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600052724 1073452634 /nfs/dbraw/zinc/45/26/34/1073452634.db2.gz IHFBZVKOIZWQAU-IBGZPJMESA-N 2 2 420.532 3.971 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430642 1073458799 /nfs/dbraw/zinc/45/87/99/1073458799.db2.gz LCJVMEVTUZCKCQ-PMACEKPBSA-N 2 2 421.655 3.745 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430642 1073458804 /nfs/dbraw/zinc/45/88/04/1073458804.db2.gz LCJVMEVTUZCKCQ-PMACEKPBSA-N 2 2 421.655 3.745 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509016 1073576621 /nfs/dbraw/zinc/57/66/21/1073576621.db2.gz FRYNZABLRIHQSY-FCHUYYIVSA-N 2 2 400.611 3.511 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509016 1073576622 /nfs/dbraw/zinc/57/66/22/1073576622.db2.gz FRYNZABLRIHQSY-FCHUYYIVSA-N 2 2 400.611 3.511 20 0 HHADLP COc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCCC2)cc1 ZINC000590149112 1073591850 /nfs/dbraw/zinc/59/18/50/1073591850.db2.gz BUJHVISYUFSGOD-CTNGQTDRSA-N 2 2 411.550 3.535 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)ccc1Br ZINC000555598150 1073664614 /nfs/dbraw/zinc/66/46/14/1073664614.db2.gz PEKQPBJIEIDRDS-PZJWPPBQSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)ccc1Br ZINC000555598150 1073664618 /nfs/dbraw/zinc/66/46/18/1073664618.db2.gz PEKQPBJIEIDRDS-PZJWPPBQSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598150 1073664622 /nfs/dbraw/zinc/66/46/22/1073664622.db2.gz PEKQPBJIEIDRDS-PZJWPPBQSA-N 2 2 420.395 3.671 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)ccc1Br ZINC000555598150 1073664629 /nfs/dbraw/zinc/66/46/29/1073664629.db2.gz PEKQPBJIEIDRDS-PZJWPPBQSA-N 2 2 420.395 3.671 20 0 HHADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555611792 1073675339 /nfs/dbraw/zinc/67/53/39/1073675339.db2.gz CCPMEUPWIROAJX-QHCPKHFHSA-N 2 2 416.569 3.891 20 0 HHADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555611792 1073675347 /nfs/dbraw/zinc/67/53/47/1073675347.db2.gz CCPMEUPWIROAJX-QHCPKHFHSA-N 2 2 416.569 3.891 20 0 HHADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000590480010 1073851169 /nfs/dbraw/zinc/85/11/69/1073851169.db2.gz HFWKRNXWVSRBGG-JOCHJYFZSA-N 2 2 421.585 3.646 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590846045 1074015555 /nfs/dbraw/zinc/01/55/55/1074015555.db2.gz COBAAXXSCBJDDI-YLJYHZDGSA-N 2 2 403.958 3.966 20 0 HHADLP Cc1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1-c1ccccc1 ZINC000573023854 1074063962 /nfs/dbraw/zinc/06/39/62/1074063962.db2.gz FNMAGCTTWHAJLN-UHFFFAOYSA-N 2 2 407.562 3.737 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000591083064 1074102789 /nfs/dbraw/zinc/10/27/89/1074102789.db2.gz NNELQZZIWIZPDV-FQEVSTJZSA-N 2 2 407.543 3.846 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000591083064 1074102796 /nfs/dbraw/zinc/10/27/96/1074102796.db2.gz NNELQZZIWIZPDV-FQEVSTJZSA-N 2 2 407.543 3.846 20 0 HHADLP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522044 1074362295 /nfs/dbraw/zinc/36/22/95/1074362295.db2.gz HTTHCENAUMEBLN-LJQANCHMSA-N 2 2 402.583 3.666 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)CC(C)C ZINC000591522006 1074362358 /nfs/dbraw/zinc/36/23/58/1074362358.db2.gz GYUXNQYNXDJPNI-UGKGYDQZSA-N 2 2 404.599 3.958 20 0 HHADLP CC1(C)CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000591561044 1074409262 /nfs/dbraw/zinc/40/92/62/1074409262.db2.gz BSYZURHPEQNREG-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP CC1(C)CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000591561044 1074409271 /nfs/dbraw/zinc/40/92/71/1074409271.db2.gz BSYZURHPEQNREG-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000591565752 1074413281 /nfs/dbraw/zinc/41/32/81/1074413281.db2.gz FJJPQSKNWXZAHJ-NRFANRHFSA-N 2 2 422.617 3.874 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000591565752 1074413289 /nfs/dbraw/zinc/41/32/89/1074413289.db2.gz FJJPQSKNWXZAHJ-NRFANRHFSA-N 2 2 422.617 3.874 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000760991567 1075095388 /nfs/dbraw/zinc/09/53/88/1075095388.db2.gz ZJMRLSXLTRIKAK-NRFANRHFSA-N 2 2 404.514 3.643 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000760991567 1075095391 /nfs/dbraw/zinc/09/53/91/1075095391.db2.gz ZJMRLSXLTRIKAK-NRFANRHFSA-N 2 2 404.514 3.643 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000594053249 1075249187 /nfs/dbraw/zinc/24/91/87/1075249187.db2.gz FFGIHBNVKYOLMW-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000594053249 1075249192 /nfs/dbraw/zinc/24/91/92/1075249192.db2.gz FFGIHBNVKYOLMW-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP C[C@H]1[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000574482939 1075254163 /nfs/dbraw/zinc/25/41/63/1075254163.db2.gz YPGUKFZZSNTWEA-PZJWPPBQSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@H]1[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000574482939 1075254164 /nfs/dbraw/zinc/25/41/64/1075254164.db2.gz YPGUKFZZSNTWEA-PZJWPPBQSA-N 2 2 419.529 3.747 20 0 HHADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476356 1075619247 /nfs/dbraw/zinc/61/92/47/1075619247.db2.gz AZCQKFBWHZSNFD-OXJNMPFZSA-N 2 2 411.512 3.826 20 0 HHADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476356 1075619249 /nfs/dbraw/zinc/61/92/49/1075619249.db2.gz AZCQKFBWHZSNFD-OXJNMPFZSA-N 2 2 411.512 3.826 20 0 HHADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476357 1075619301 /nfs/dbraw/zinc/61/93/01/1075619301.db2.gz AZCQKFBWHZSNFD-OXQOHEQNSA-N 2 2 411.512 3.826 20 0 HHADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000601476357 1075619302 /nfs/dbraw/zinc/61/93/02/1075619302.db2.gz AZCQKFBWHZSNFD-OXQOHEQNSA-N 2 2 411.512 3.826 20 0 HHADLP CN(C(=O)CCCCc1nc2ccccc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477201 1075619780 /nfs/dbraw/zinc/61/97/80/1075619780.db2.gz GFDVRBGGGLVMKT-IBGZPJMESA-N 2 2 414.619 3.636 20 0 HHADLP CN(C(=O)CCCCc1nc2ccccc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477201 1075619781 /nfs/dbraw/zinc/61/97/81/1075619781.db2.gz GFDVRBGGGLVMKT-IBGZPJMESA-N 2 2 414.619 3.636 20 0 HHADLP CN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478765 1075621584 /nfs/dbraw/zinc/62/15/84/1075621584.db2.gz GUHAGDYIRWWRAQ-HSZRJFAPSA-N 2 2 413.606 3.886 20 0 HHADLP CN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478765 1075621586 /nfs/dbraw/zinc/62/15/86/1075621586.db2.gz GUHAGDYIRWWRAQ-HSZRJFAPSA-N 2 2 413.606 3.886 20 0 HHADLP CC(C)c1ccc(-c2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000602202716 1075712047 /nfs/dbraw/zinc/71/20/47/1075712047.db2.gz QMUCFZICBQMPPF-IBGZPJMESA-N 2 2 412.603 3.832 20 0 HHADLP CC(C)c1ccc(-c2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cs2)cc1 ZINC000602202716 1075712055 /nfs/dbraw/zinc/71/20/55/1075712055.db2.gz QMUCFZICBQMPPF-IBGZPJMESA-N 2 2 412.603 3.832 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Br)cc4ccccc43)C2)CC1 ZINC000602203786 1075712756 /nfs/dbraw/zinc/71/27/56/1075712756.db2.gz HZHXSHXBAHLQCN-KRWDZBQOSA-N 2 2 416.363 3.501 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Br)cc4ccccc43)C2)CC1 ZINC000602203786 1075712761 /nfs/dbraw/zinc/71/27/61/1075712761.db2.gz HZHXSHXBAHLQCN-KRWDZBQOSA-N 2 2 416.363 3.501 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602197173 1075716432 /nfs/dbraw/zinc/71/64/32/1075716432.db2.gz XYVDCNDAOXHGNN-QHCPKHFHSA-N 2 2 420.601 3.611 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602197173 1075716438 /nfs/dbraw/zinc/71/64/38/1075716438.db2.gz XYVDCNDAOXHGNN-QHCPKHFHSA-N 2 2 420.601 3.611 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201144 1075717159 /nfs/dbraw/zinc/71/71/59/1075717159.db2.gz JFQHZEMEJJHQHP-WIOPSUGQSA-N 2 2 421.585 3.654 20 0 HHADLP CCc1ccccc1O[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201144 1075717163 /nfs/dbraw/zinc/71/71/63/1075717163.db2.gz JFQHZEMEJJHQHP-WIOPSUGQSA-N 2 2 421.585 3.654 20 0 HHADLP C[N@H+](Cc1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1)C1CC1 ZINC001164672559 719526424 /nfs/dbraw/zinc/52/64/24/719526424.db2.gz KSAUBQIMENUBMK-UHFFFAOYSA-N 2 2 424.564 3.686 20 0 HHADLP C[N@@H+](Cc1ccc(N2CCC3(CC2)COCC[NH+]3Cc2ccc(F)cc2)nc1)C1CC1 ZINC001164672559 719526428 /nfs/dbraw/zinc/52/64/28/719526428.db2.gz KSAUBQIMENUBMK-UHFFFAOYSA-N 2 2 424.564 3.686 20 0 HHADLP C[NH+](Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1)C1CC1 ZINC001164672559 719526435 /nfs/dbraw/zinc/52/64/35/719526435.db2.gz KSAUBQIMENUBMK-UHFFFAOYSA-N 2 2 424.564 3.686 20 0 HHADLP C[NH+](Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1)C1CC1 ZINC001164672559 719526443 /nfs/dbraw/zinc/52/64/43/719526443.db2.gz KSAUBQIMENUBMK-UHFFFAOYSA-N 2 2 424.564 3.686 20 0 HHADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676903 719566373 /nfs/dbraw/zinc/56/63/73/719566373.db2.gz QQOSXUFQHIRVLD-NRFANRHFSA-N 2 2 406.534 3.814 20 0 HHADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676903 719566378 /nfs/dbraw/zinc/56/63/78/719566378.db2.gz QQOSXUFQHIRVLD-NRFANRHFSA-N 2 2 406.534 3.814 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001164819278 720305807 /nfs/dbraw/zinc/30/58/07/720305807.db2.gz DHMMUJSQNKWCKF-GOTSBHOMSA-N 2 2 404.558 3.660 20 0 HHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)CC3)CC2)cc1 ZINC001164759876 721045614 /nfs/dbraw/zinc/04/56/14/721045614.db2.gz RKURMASXVLJWQS-UHFFFAOYSA-N 3 2 419.617 3.682 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164788788 721466747 /nfs/dbraw/zinc/46/67/47/721466747.db2.gz KTXQSMGVINFNKT-OAQYLSRUSA-N 2 2 416.610 3.642 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC001164788788 721466751 /nfs/dbraw/zinc/46/67/51/721466751.db2.gz KTXQSMGVINFNKT-OAQYLSRUSA-N 2 2 416.610 3.642 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001165027023 721823064 /nfs/dbraw/zinc/82/30/64/721823064.db2.gz QXUVQMLGRVUJPY-BAGYTPMASA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001165027023 721823066 /nfs/dbraw/zinc/82/30/66/721823066.db2.gz QXUVQMLGRVUJPY-BAGYTPMASA-N 2 2 406.578 3.599 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC001165027023 721823067 /nfs/dbraw/zinc/82/30/67/721823067.db2.gz QXUVQMLGRVUJPY-BAGYTPMASA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC001165027023 721823068 /nfs/dbraw/zinc/82/30/68/721823068.db2.gz QXUVQMLGRVUJPY-BAGYTPMASA-N 2 2 406.578 3.599 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(C)c2c1 ZINC001164974882 722118114 /nfs/dbraw/zinc/11/81/14/722118114.db2.gz IPJACYMPNHLYRR-RDPSFJRHSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(C)c2c1 ZINC001164974882 722118115 /nfs/dbraw/zinc/11/81/15/722118115.db2.gz IPJACYMPNHLYRR-RDPSFJRHSA-N 2 2 418.541 3.674 20 0 HHADLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4cc(Br)ccc34)cn2)CC1 ZINC000301260991 970839171 /nfs/dbraw/zinc/83/91/71/970839171.db2.gz BJFPXXSFCMVGAL-UHFFFAOYSA-N 2 2 412.335 3.756 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH+]1 ZINC000301970046 971137057 /nfs/dbraw/zinc/13/70/57/971137057.db2.gz CTHUAZYGCYCCDU-SFHVURJKSA-N 2 2 417.542 3.518 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH+]1 ZINC000301970046 971137063 /nfs/dbraw/zinc/13/70/63/971137063.db2.gz CTHUAZYGCYCCDU-SFHVURJKSA-N 2 2 417.542 3.518 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2ccccc21 ZINC000302751700 971303034 /nfs/dbraw/zinc/30/30/34/971303034.db2.gz LTZNZUNHVIKTCK-LJQANCHMSA-N 2 2 403.526 3.961 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302796160 971321965 /nfs/dbraw/zinc/32/19/65/971321965.db2.gz PNEKFBNVBNRJLB-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302796160 971321970 /nfs/dbraw/zinc/32/19/70/971321970.db2.gz PNEKFBNVBNRJLB-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302796160 971321975 /nfs/dbraw/zinc/32/19/75/971321975.db2.gz PNEKFBNVBNRJLB-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302796160 971321979 /nfs/dbraw/zinc/32/19/79/971321979.db2.gz PNEKFBNVBNRJLB-UGKGYDQZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000542138452 1013071645 /nfs/dbraw/zinc/07/16/45/1013071645.db2.gz GIFXUEJKGVXHAM-KRWDZBQOSA-N 2 2 417.513 3.728 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]cn1 ZINC000302877825 971368585 /nfs/dbraw/zinc/36/85/85/971368585.db2.gz GDKVSXKVKPPQIH-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP OC[C@@H]1CCCCN1c1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc[nH+]1 ZINC000302877825 971368588 /nfs/dbraw/zinc/36/85/88/971368588.db2.gz GDKVSXKVKPPQIH-QFIPXVFZSA-N 2 2 409.578 3.816 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447133 971742691 /nfs/dbraw/zinc/74/26/91/971742691.db2.gz ITMGROYHXSZURA-CJFMBICVSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447133 971742697 /nfs/dbraw/zinc/74/26/97/971742697.db2.gz ITMGROYHXSZURA-CJFMBICVSA-N 2 2 421.585 3.785 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178239 1013116748 /nfs/dbraw/zinc/11/67/48/1013116748.db2.gz ADQUOJGLKZNKMS-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178239 1013116752 /nfs/dbraw/zinc/11/67/52/1013116752.db2.gz ADQUOJGLKZNKMS-RTWAWAEBSA-N 2 2 409.977 3.817 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180060 1013118654 /nfs/dbraw/zinc/11/86/54/1013118654.db2.gz SNZLVDVIEFXFMH-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180060 1013118659 /nfs/dbraw/zinc/11/86/59/1013118659.db2.gz SNZLVDVIEFXFMH-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000537583755 1013122640 /nfs/dbraw/zinc/12/26/40/1013122640.db2.gz LFICIOYMNZFNTJ-KDURUIRLSA-N 2 2 403.530 3.675 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000537583755 1013122650 /nfs/dbraw/zinc/12/26/50/1013122650.db2.gz LFICIOYMNZFNTJ-KDURUIRLSA-N 2 2 403.530 3.675 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000537631705 1013185712 /nfs/dbraw/zinc/18/57/12/1013185712.db2.gz UDOLQBIWBVYICD-UHFFFAOYSA-N 2 2 402.608 3.703 20 0 HHADLP COc1cccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303890315 972430776 /nfs/dbraw/zinc/43/07/76/972430776.db2.gz KDCDAJOLGPUJHE-QHCPKHFHSA-N 2 2 408.590 3.557 20 0 HHADLP COc1cccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303890315 972430782 /nfs/dbraw/zinc/43/07/82/972430782.db2.gz KDCDAJOLGPUJHE-QHCPKHFHSA-N 2 2 408.590 3.557 20 0 HHADLP Clc1ccc([C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)N2CCOCC2)cc1 ZINC000542322456 1013277519 /nfs/dbraw/zinc/27/75/19/1013277519.db2.gz KBHWAHGDLXDBPF-HXUWFJFHSA-N 2 2 402.951 3.750 20 0 HHADLP Clc1ccc(-n2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nn2)cc1Cl ZINC000542318894 1013274774 /nfs/dbraw/zinc/27/47/74/1013274774.db2.gz AVFYFUONLJVYPS-UHFFFAOYSA-N 2 2 403.317 3.728 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542324738 1013279215 /nfs/dbraw/zinc/27/92/15/1013279215.db2.gz FNALXMVUSFYWEO-OAQYLSRUSA-N 2 2 421.589 3.669 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC2)c1 ZINC000025058518 964156941 /nfs/dbraw/zinc/15/69/41/964156941.db2.gz FTCROXYVUFDIFX-FGZHOGPDSA-N 2 2 421.585 3.562 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000049799132 964217449 /nfs/dbraw/zinc/21/74/49/964217449.db2.gz UQRNNALXYDJGIX-HSZRJFAPSA-N 2 2 405.546 3.596 20 0 HHADLP CN(c1ccccc1)c1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798017 964400171 /nfs/dbraw/zinc/40/01/71/964400171.db2.gz ZTMPQJUNMBWAPW-UHFFFAOYSA-N 2 2 406.574 3.743 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000026484793 964580690 /nfs/dbraw/zinc/58/06/90/964580690.db2.gz VZCKNOYCAUWGEO-OAQYLSRUSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000026484793 964580700 /nfs/dbraw/zinc/58/07/00/964580700.db2.gz VZCKNOYCAUWGEO-OAQYLSRUSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000026484793 964580716 /nfs/dbraw/zinc/58/07/16/964580716.db2.gz VZCKNOYCAUWGEO-OAQYLSRUSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000026484793 964580730 /nfs/dbraw/zinc/58/07/30/964580730.db2.gz VZCKNOYCAUWGEO-OAQYLSRUSA-N 2 2 413.587 3.628 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)Cn2cc(Br)cn2)c(C)c1 ZINC000537951923 1013532588 /nfs/dbraw/zinc/53/25/88/1013532588.db2.gz JIMSZXKQCWMRRG-VQIMIIECSA-N 2 2 402.340 3.879 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058810562 965914532 /nfs/dbraw/zinc/91/45/32/965914532.db2.gz JEIJTPDFQFFNJB-QHCPKHFHSA-N 2 2 411.615 3.935 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000538044057 1013617065 /nfs/dbraw/zinc/61/70/65/1013617065.db2.gz SQLCSPCGTBTZAZ-IAGOWNOFSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C[C@H](C)O1 ZINC000060368396 966116294 /nfs/dbraw/zinc/11/62/94/966116294.db2.gz YJCUFOFSMCFZNE-GASCZTMLSA-N 2 2 411.377 3.962 20 0 HHADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C[C@H](C)O1 ZINC000060368396 966116300 /nfs/dbraw/zinc/11/63/00/966116300.db2.gz YJCUFOFSMCFZNE-GASCZTMLSA-N 2 2 411.377 3.962 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054551 1013630132 /nfs/dbraw/zinc/63/01/32/1013630132.db2.gz XDRAZLVKTSALFD-RTWAWAEBSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054551 1013630137 /nfs/dbraw/zinc/63/01/37/1013630137.db2.gz XDRAZLVKTSALFD-RTWAWAEBSA-N 2 2 422.976 3.788 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000060548578 966200231 /nfs/dbraw/zinc/20/02/31/966200231.db2.gz NZBDXCZQFZSDMR-UHFFFAOYSA-N 2 2 414.525 3.652 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894723 966506611 /nfs/dbraw/zinc/50/66/11/966506611.db2.gz FSCNXXXYJLURBR-UHFFFAOYSA-N 2 2 403.530 3.858 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000061867556 966567614 /nfs/dbraw/zinc/56/76/14/966567614.db2.gz WHCGAYFXWXGFNL-UHFFFAOYSA-N 2 2 421.589 3.782 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000043230416 966932510 /nfs/dbraw/zinc/93/25/10/966932510.db2.gz RBYWJRXJGVVWIC-HSZRJFAPSA-N 2 2 405.546 3.814 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000043546479 966995457 /nfs/dbraw/zinc/99/54/57/966995457.db2.gz ZOQNPCDYDINQJK-YOEHRIQHSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000043546479 966995459 /nfs/dbraw/zinc/99/54/59/966995459.db2.gz ZOQNPCDYDINQJK-YOEHRIQHSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)C1 ZINC000043547030 966996804 /nfs/dbraw/zinc/99/68/04/966996804.db2.gz CTCMQJKFMHQMED-INIZCTEOSA-N 2 2 401.580 3.758 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)C1 ZINC000043547030 966996807 /nfs/dbraw/zinc/99/68/07/966996807.db2.gz CTCMQJKFMHQMED-INIZCTEOSA-N 2 2 401.580 3.758 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)n2)C1 ZINC000043547402 966996878 /nfs/dbraw/zinc/99/68/78/966996878.db2.gz HZKODCCCCZDUFM-HOCLYGCPSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)n2)C1 ZINC000043547402 966996882 /nfs/dbraw/zinc/99/68/82/966996882.db2.gz HZKODCCCCZDUFM-HOCLYGCPSA-N 2 2 407.609 3.861 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000064237475 967100639 /nfs/dbraw/zinc/10/06/39/967100639.db2.gz DKXZERVSFNSJDM-DEOSSOPVSA-N 2 2 417.557 3.876 20 0 HHADLP O=C(CC[NH2+][C@H](Cc1ccccc1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044857700 967303471 /nfs/dbraw/zinc/30/34/71/967303471.db2.gz FRDGRPXEPZLQJA-XMMPIXPASA-N 2 2 414.553 3.694 20 0 HHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000045454467 967464830 /nfs/dbraw/zinc/46/48/30/967464830.db2.gz SZWMFMUPKNTTJO-OALUTQOASA-N 2 2 413.566 3.676 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000538235662 1013783771 /nfs/dbraw/zinc/78/37/71/1013783771.db2.gz GTPSFKBHXHOMTD-IBGZPJMESA-N 2 2 420.582 3.805 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000047948352 968375386 /nfs/dbraw/zinc/37/53/86/968375386.db2.gz SLZBXXYUFSIZOC-QHCPKHFHSA-N 2 2 405.546 3.814 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109674 1013801816 /nfs/dbraw/zinc/80/18/16/1013801816.db2.gz ZZZIJUUQIYTDLG-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109674 1013801813 /nfs/dbraw/zinc/80/18/13/1013801813.db2.gz ZZZIJUUQIYTDLG-DNVCBOLYSA-N 2 2 419.570 3.939 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037560 968777935 /nfs/dbraw/zinc/77/79/35/968777935.db2.gz VCVAXQQORLTLQX-UHFFFAOYSA-N 2 2 409.578 3.775 20 0 HHADLP COCC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000554220851 1013859916 /nfs/dbraw/zinc/85/99/16/1013859916.db2.gz FWVQUYGJTGQVLF-YADHBBJMSA-N 2 2 409.574 3.601 20 0 HHADLP COCC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000554220851 1013859921 /nfs/dbraw/zinc/85/99/21/1013859921.db2.gz FWVQUYGJTGQVLF-YADHBBJMSA-N 2 2 409.574 3.601 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1)C(C)C ZINC000110121508 969625850 /nfs/dbraw/zinc/62/58/50/969625850.db2.gz CNTXTUCZNGNFMR-UHFFFAOYSA-N 2 2 408.590 3.917 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1)C(C)C ZINC000110121508 969625856 /nfs/dbraw/zinc/62/58/56/969625856.db2.gz CNTXTUCZNGNFMR-UHFFFAOYSA-N 2 2 408.590 3.917 20 0 HHADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000110728311 969714612 /nfs/dbraw/zinc/71/46/12/969714612.db2.gz IUPQFPVGQVTDKE-BZSNNMDCSA-N 2 2 405.608 3.557 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC2)c1 ZINC000116530815 969902572 /nfs/dbraw/zinc/90/25/72/969902572.db2.gz VAJUCTLGRPKSFU-UHFFFAOYSA-N 2 2 409.599 3.502 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000141741604 970128482 /nfs/dbraw/zinc/12/84/82/970128482.db2.gz BTOPUXSSCVYATG-DEOSSOPVSA-N 2 2 417.557 3.876 20 0 HHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000145417326 970260324 /nfs/dbraw/zinc/26/03/24/970260324.db2.gz SZLIVYCAMWZCOC-UHFFFAOYSA-N 2 2 418.632 3.549 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237394689 970276510 /nfs/dbraw/zinc/27/65/10/970276510.db2.gz BJTLDONDQTYLNO-XMSQKQJNSA-N 2 2 411.546 3.848 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000237401734 970278303 /nfs/dbraw/zinc/27/83/03/970278303.db2.gz HKOSXTDRNSMZAU-HNNXBMFYSA-N 2 2 412.465 3.536 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774539 970363528 /nfs/dbraw/zinc/36/35/28/970363528.db2.gz XNPMRWUSXNMYAE-OYRHEFFESA-N 2 2 419.573 3.582 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774539 970363535 /nfs/dbraw/zinc/36/35/35/970363535.db2.gz XNPMRWUSXNMYAE-OYRHEFFESA-N 2 2 419.573 3.582 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409486200 972936339 /nfs/dbraw/zinc/93/63/39/972936339.db2.gz MNJJSSRCWUQCTQ-UHFFFAOYSA-N 2 2 407.493 3.607 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630669 973076761 /nfs/dbraw/zinc/07/67/61/973076761.db2.gz KSXIMJJSLZUPRS-VXKWHMMOSA-N 2 2 421.589 3.631 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409630669 973076774 /nfs/dbraw/zinc/07/67/74/973076774.db2.gz KSXIMJJSLZUPRS-VXKWHMMOSA-N 2 2 421.589 3.631 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[C@@H]1c1ccccc1 ZINC000409732402 973207359 /nfs/dbraw/zinc/20/73/59/973207359.db2.gz DWUIQQHRJWPLFV-HJNYFJLDSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[C@@H]1c1ccccc1 ZINC000409732402 973207364 /nfs/dbraw/zinc/20/73/64/973207364.db2.gz DWUIQQHRJWPLFV-HJNYFJLDSA-N 2 2 407.562 3.554 20 0 HHADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000410195247 973689993 /nfs/dbraw/zinc/68/99/93/973689993.db2.gz XOPMEXOFLADGIG-OAQYLSRUSA-N 2 2 404.574 3.772 20 0 HHADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279940 973801001 /nfs/dbraw/zinc/80/10/01/973801001.db2.gz SVJOZMHRCBKUCG-DENIHFKCSA-N 2 2 410.537 3.729 20 0 HHADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410279940 973801013 /nfs/dbraw/zinc/80/10/13/973801013.db2.gz SVJOZMHRCBKUCG-DENIHFKCSA-N 2 2 410.537 3.729 20 0 HHADLP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292105 973822893 /nfs/dbraw/zinc/82/28/93/973822893.db2.gz WVFONWUHEUCMQX-FCHUYYIVSA-N 2 2 406.574 3.838 20 0 HHADLP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292105 973822896 /nfs/dbraw/zinc/82/28/96/973822896.db2.gz WVFONWUHEUCMQX-FCHUYYIVSA-N 2 2 406.574 3.838 20 0 HHADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)oc2c1 ZINC000426023880 974144069 /nfs/dbraw/zinc/14/40/69/974144069.db2.gz QGMPKTUDWUISEL-AZUAARDMSA-N 2 2 421.545 3.687 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426239141 974334626 /nfs/dbraw/zinc/33/46/26/974334626.db2.gz QXOICFPJDOLDCA-OEMFJLHTSA-N 2 2 417.557 3.584 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000426805551 974674387 /nfs/dbraw/zinc/67/43/87/974674387.db2.gz CLHNCJBAHHWGCO-HOTGVXAUSA-N 2 2 411.949 3.629 20 0 HHADLP COc1ccc(C2([NH2+]CC(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)CC2)cc1 ZINC000428319193 975624101 /nfs/dbraw/zinc/62/41/01/975624101.db2.gz FHJBYDOZFJMGGQ-UHFFFAOYSA-N 2 2 414.575 3.601 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC000428449980 975758789 /nfs/dbraw/zinc/75/87/89/975758789.db2.gz USDZCCFNRUJULR-UHFFFAOYSA-N 2 2 409.578 4.124 20 0 HHADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428495397 975793739 /nfs/dbraw/zinc/79/37/39/975793739.db2.gz CVNUDAFSMCSHOI-HNNXBMFYSA-N 2 2 406.518 3.880 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428546051 975851015 /nfs/dbraw/zinc/85/10/15/975851015.db2.gz KECTZHSCNRMPPX-LJQANCHMSA-N 2 2 406.473 3.677 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428546051 975851037 /nfs/dbraw/zinc/85/10/37/975851037.db2.gz KECTZHSCNRMPPX-LJQANCHMSA-N 2 2 406.473 3.677 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428548949 975858755 /nfs/dbraw/zinc/85/87/55/975858755.db2.gz RNYUATYRPAWVDR-UHFFFAOYSA-N 2 2 408.995 3.991 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428548949 975858764 /nfs/dbraw/zinc/85/87/64/975858764.db2.gz RNYUATYRPAWVDR-UHFFFAOYSA-N 2 2 408.995 3.991 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000428558127 975869721 /nfs/dbraw/zinc/86/97/21/975869721.db2.gz LQZQWHJRYYNXAW-UHFFFAOYSA-N 2 2 409.578 3.937 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000428649734 975949982 /nfs/dbraw/zinc/94/99/82/975949982.db2.gz LZOOJJYRNWILMT-NRFANRHFSA-N 2 2 416.569 3.971 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000428649734 975949994 /nfs/dbraw/zinc/94/99/94/975949994.db2.gz LZOOJJYRNWILMT-NRFANRHFSA-N 2 2 416.569 3.971 20 0 HHADLP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000428705883 975997086 /nfs/dbraw/zinc/99/70/86/975997086.db2.gz CLZYXKLSPPYNLP-UHFFFAOYSA-N 2 2 417.557 3.836 20 0 HHADLP CC[N@H+]1CCCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000428705883 975997100 /nfs/dbraw/zinc/99/71/00/975997100.db2.gz CLZYXKLSPPYNLP-UHFFFAOYSA-N 2 2 417.557 3.836 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428776551 976050042 /nfs/dbraw/zinc/05/00/42/976050042.db2.gz ZVTAUSJJMYAXMS-IBGZPJMESA-N 2 2 409.578 3.935 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428776551 976050051 /nfs/dbraw/zinc/05/00/51/976050051.db2.gz ZVTAUSJJMYAXMS-IBGZPJMESA-N 2 2 409.578 3.935 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000428980309 976264204 /nfs/dbraw/zinc/26/42/04/976264204.db2.gz VIOFHSQPKGOJFS-SFHVURJKSA-N 2 2 423.483 3.683 20 0 HHADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1 ZINC000429292606 976572268 /nfs/dbraw/zinc/57/22/68/976572268.db2.gz HZHMDBDUTSSPKS-IIBYNOLFSA-N 2 2 401.938 3.650 20 0 HHADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429422721 976700936 /nfs/dbraw/zinc/70/09/36/976700936.db2.gz HYGYVSDEVFLFNH-GOTSBHOMSA-N 2 2 412.574 3.906 20 0 HHADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429422721 976700946 /nfs/dbraw/zinc/70/09/46/976700946.db2.gz HYGYVSDEVFLFNH-GOTSBHOMSA-N 2 2 412.574 3.906 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000429495008 976752291 /nfs/dbraw/zinc/75/22/91/976752291.db2.gz UMUBSCMMGCNJAF-QFIPXVFZSA-N 2 2 409.578 3.703 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000429495008 976752297 /nfs/dbraw/zinc/75/22/97/976752297.db2.gz UMUBSCMMGCNJAF-QFIPXVFZSA-N 2 2 409.578 3.703 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429703481 976996364 /nfs/dbraw/zinc/99/63/64/976996364.db2.gz MOAAKOPNPRLVJC-QFIPXVFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429703481 976996378 /nfs/dbraw/zinc/99/63/78/976996378.db2.gz MOAAKOPNPRLVJC-QFIPXVFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429703481 976996392 /nfs/dbraw/zinc/99/63/92/976996392.db2.gz MOAAKOPNPRLVJC-QFIPXVFZSA-N 2 2 402.542 3.943 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429703481 976996406 /nfs/dbraw/zinc/99/64/06/976996406.db2.gz MOAAKOPNPRLVJC-QFIPXVFZSA-N 2 2 402.542 3.943 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804838 977080392 /nfs/dbraw/zinc/08/03/92/977080392.db2.gz UMVFCBNHAGITFT-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804838 977080403 /nfs/dbraw/zinc/08/04/03/977080403.db2.gz UMVFCBNHAGITFT-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804838 977080408 /nfs/dbraw/zinc/08/04/08/977080408.db2.gz UMVFCBNHAGITFT-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H](C)C1 ZINC000429804838 977080418 /nfs/dbraw/zinc/08/04/18/977080418.db2.gz UMVFCBNHAGITFT-RDPSFJRHSA-N 2 2 409.574 3.544 20 0 HHADLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134221 977338657 /nfs/dbraw/zinc/33/86/57/977338657.db2.gz QNHFGLPXVCTPFC-VWLOTQADSA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134221 977338666 /nfs/dbraw/zinc/33/86/66/977338666.db2.gz QNHFGLPXVCTPFC-VWLOTQADSA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134221 977338676 /nfs/dbraw/zinc/33/86/76/977338676.db2.gz QNHFGLPXVCTPFC-VWLOTQADSA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134221 977338684 /nfs/dbraw/zinc/33/86/84/977338684.db2.gz QNHFGLPXVCTPFC-VWLOTQADSA-N 2 2 423.557 3.630 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430444341 977554427 /nfs/dbraw/zinc/55/44/27/977554427.db2.gz AMRHANARFGMXQR-UHFFFAOYSA-N 2 2 415.969 3.623 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000430511204 977608877 /nfs/dbraw/zinc/60/88/77/977608877.db2.gz VNQMJMVGANDKJR-UHFFFAOYSA-N 2 2 400.592 3.547 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430567479 977635820 /nfs/dbraw/zinc/63/58/20/977635820.db2.gz DOIKQBJQBJFOEA-HXUWFJFHSA-N 2 2 417.985 3.869 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430567479 977635826 /nfs/dbraw/zinc/63/58/26/977635826.db2.gz DOIKQBJQBJFOEA-HXUWFJFHSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000430651824 977668625 /nfs/dbraw/zinc/66/86/25/977668625.db2.gz MLLYCLXSXLKTJR-FGCOXFRFSA-N 2 2 423.626 3.946 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000430651824 977668629 /nfs/dbraw/zinc/66/86/29/977668629.db2.gz MLLYCLXSXLKTJR-FGCOXFRFSA-N 2 2 423.626 3.946 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810680 977771160 /nfs/dbraw/zinc/77/11/60/977771160.db2.gz MLHZPEYLFLFPQD-WDJPJFJCSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810680 977771167 /nfs/dbraw/zinc/77/11/67/977771167.db2.gz MLHZPEYLFLFPQD-WDJPJFJCSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810680 977771173 /nfs/dbraw/zinc/77/11/73/977771173.db2.gz MLHZPEYLFLFPQD-WDJPJFJCSA-N 2 2 410.558 3.614 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430810680 977771183 /nfs/dbraw/zinc/77/11/83/977771183.db2.gz MLHZPEYLFLFPQD-WDJPJFJCSA-N 2 2 410.558 3.614 20 0 HHADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430847197 977798844 /nfs/dbraw/zinc/79/88/44/977798844.db2.gz XVOSOAZWMJYSLD-HXUWFJFHSA-N 2 2 417.985 3.726 20 0 HHADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430847197 977798850 /nfs/dbraw/zinc/79/88/50/977798850.db2.gz XVOSOAZWMJYSLD-HXUWFJFHSA-N 2 2 417.985 3.726 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000430912777 977882306 /nfs/dbraw/zinc/88/23/06/977882306.db2.gz OIHGIYIYZUMWBA-MRXNPFEDSA-N 2 2 423.344 3.796 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000430912777 977882308 /nfs/dbraw/zinc/88/23/08/977882308.db2.gz OIHGIYIYZUMWBA-MRXNPFEDSA-N 2 2 423.344 3.796 20 0 HHADLP CCn1c2ccc(F)cc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430916130 977884237 /nfs/dbraw/zinc/88/42/37/977884237.db2.gz UDVXOHDUVFNUFR-UHFFFAOYSA-N 3 2 415.601 3.823 20 0 HHADLP CCn1c2ccc(F)cc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430916130 977884249 /nfs/dbraw/zinc/88/42/49/977884249.db2.gz UDVXOHDUVFNUFR-UHFFFAOYSA-N 3 2 415.601 3.823 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933976 977898324 /nfs/dbraw/zinc/89/83/24/977898324.db2.gz KKBLEBPPQFGQJN-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933976 977898334 /nfs/dbraw/zinc/89/83/34/977898334.db2.gz KKBLEBPPQFGQJN-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431672778 978426986 /nfs/dbraw/zinc/42/69/86/978426986.db2.gz IKULNNDVKMBILB-CTNGQTDRSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431672778 978426990 /nfs/dbraw/zinc/42/69/90/978426990.db2.gz IKULNNDVKMBILB-CTNGQTDRSA-N 2 2 412.603 3.628 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431911149 978594563 /nfs/dbraw/zinc/59/45/63/978594563.db2.gz XXMYNTAAHXISGP-RTBURBONSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431911149 978594568 /nfs/dbraw/zinc/59/45/68/978594568.db2.gz XXMYNTAAHXISGP-RTBURBONSA-N 2 2 415.607 3.547 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)[NH+](CC)CC)cc1 ZINC000432448661 978817830 /nfs/dbraw/zinc/81/78/30/978817830.db2.gz JREBYRNWLVHDML-VXKWHMMOSA-N 2 2 411.594 3.955 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000432741573 978955199 /nfs/dbraw/zinc/95/51/99/978955199.db2.gz HUVRMQQHDYYNDO-UHFFFAOYSA-N 2 2 403.514 3.533 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433372876 979260763 /nfs/dbraw/zinc/26/07/63/979260763.db2.gz FIZRUQTUXSXESZ-NHCUHLMSSA-N 2 2 416.569 3.747 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433401630 979277845 /nfs/dbraw/zinc/27/78/45/979277845.db2.gz SYDBJLZVAKPEQE-CEWLAPEOSA-N 2 2 408.558 3.517 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433955982 979714773 /nfs/dbraw/zinc/71/47/73/979714773.db2.gz ACCJBEWLAKPGAR-UHFFFAOYSA-N 2 2 424.614 3.788 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433984340 979734956 /nfs/dbraw/zinc/73/49/56/979734956.db2.gz HGCGOSQPMGSMLK-UHFFFAOYSA-N 2 2 421.589 3.904 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433993067 979741239 /nfs/dbraw/zinc/74/12/39/979741239.db2.gz HJDVQLORGMMSJM-AUSIDOKSSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433993067 979741248 /nfs/dbraw/zinc/74/12/48/979741248.db2.gz HJDVQLORGMMSJM-AUSIDOKSSA-N 2 2 408.546 3.676 20 0 HHADLP CCc1ccc([C@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[NH+](C)C)cc1 ZINC000433995336 979743876 /nfs/dbraw/zinc/74/38/76/979743876.db2.gz XVVCVQPZZBPSRG-QHCPKHFHSA-N 2 2 423.605 3.974 20 0 HHADLP Cc1ccc(CN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C2CC2)cc1 ZINC000434671310 980331343 /nfs/dbraw/zinc/33/13/43/980331343.db2.gz ULBQTSIIVWNNHK-UHFFFAOYSA-N 2 2 406.574 3.898 20 0 HHADLP CC(C)c1ccc(OCCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434673878 980332968 /nfs/dbraw/zinc/33/29/68/980332968.db2.gz SDPDUZXXVCEEKA-UHFFFAOYSA-N 2 2 424.589 3.717 20 0 HHADLP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000436273983 981279891 /nfs/dbraw/zinc/27/98/91/981279891.db2.gz KWYCKVNIMDQQQX-UHFFFAOYSA-N 2 2 409.965 3.686 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336284 981308931 /nfs/dbraw/zinc/30/89/31/981308931.db2.gz VIWRIIKLPOEVOR-AUSIDOKSSA-N 2 2 414.594 3.998 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000436336284 981308936 /nfs/dbraw/zinc/30/89/36/981308936.db2.gz VIWRIIKLPOEVOR-AUSIDOKSSA-N 2 2 414.594 3.998 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380677 981337987 /nfs/dbraw/zinc/33/79/87/981337987.db2.gz ZRVBSFXDLNHHIK-SFTDATJTSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380677 981337993 /nfs/dbraw/zinc/33/79/93/981337993.db2.gz ZRVBSFXDLNHHIK-SFTDATJTSA-N 2 2 422.573 3.518 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436609329 981472227 /nfs/dbraw/zinc/47/22/27/981472227.db2.gz WCFDQQVPOPEUHW-GOTSBHOMSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436609329 981472229 /nfs/dbraw/zinc/47/22/29/981472229.db2.gz WCFDQQVPOPEUHW-GOTSBHOMSA-N 2 2 413.606 3.680 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000437044623 981715655 /nfs/dbraw/zinc/71/56/55/981715655.db2.gz XPJNYXHSUQXEHL-NLFFAJNJSA-N 2 2 412.622 3.806 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369639 981728783 /nfs/dbraw/zinc/72/87/83/981728783.db2.gz APLMSQIIOZJWSA-WOJBJXKFSA-N 2 2 402.583 3.569 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369639 981728790 /nfs/dbraw/zinc/72/87/90/981728790.db2.gz APLMSQIIOZJWSA-WOJBJXKFSA-N 2 2 402.583 3.569 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369637 981729001 /nfs/dbraw/zinc/72/90/01/981729001.db2.gz APLMSQIIOZJWSA-UXHICEINSA-N 2 2 402.583 3.569 20 0 HHADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369637 981729005 /nfs/dbraw/zinc/72/90/05/981729005.db2.gz APLMSQIIOZJWSA-UXHICEINSA-N 2 2 402.583 3.569 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448523361 981851854 /nfs/dbraw/zinc/85/18/54/981851854.db2.gz YIJHTFOFYIKPLH-QGZVFWFLSA-N 2 2 406.534 3.640 20 0 HHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000460389582 982169083 /nfs/dbraw/zinc/16/90/83/982169083.db2.gz TWDSYWGHUXQCNT-GJZGRUSLSA-N 2 2 421.383 3.647 20 0 HHADLP C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460496134 982284989 /nfs/dbraw/zinc/28/49/89/982284989.db2.gz XWLHLQKFZNGCIN-FQEVSTJZSA-N 2 2 415.622 3.818 20 0 HHADLP Cc1nc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000460504792 982293769 /nfs/dbraw/zinc/29/37/69/982293769.db2.gz SOIQLMSKULNJCD-UHFFFAOYSA-N 2 2 424.589 3.649 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438236454 982671856 /nfs/dbraw/zinc/67/18/56/982671856.db2.gz QORZWBFUGSELOT-UHFFFAOYSA-N 2 2 401.599 3.557 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000438236454 982671863 /nfs/dbraw/zinc/67/18/63/982671863.db2.gz QORZWBFUGSELOT-UHFFFAOYSA-N 2 2 401.599 3.557 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(CC(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000438257482 982684918 /nfs/dbraw/zinc/68/49/18/982684918.db2.gz ISEQOBHNDCLAHY-UHFFFAOYSA-N 2 2 412.500 3.863 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000438509900 982849204 /nfs/dbraw/zinc/84/92/04/982849204.db2.gz QDEQRGHTWMXJOC-UHFFFAOYSA-N 2 2 402.583 3.888 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000438509900 982849210 /nfs/dbraw/zinc/84/92/10/982849210.db2.gz QDEQRGHTWMXJOC-UHFFFAOYSA-N 2 2 402.583 3.888 20 0 HHADLP C[C@H](CSCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000438542801 982881175 /nfs/dbraw/zinc/88/11/75/982881175.db2.gz VSGJGMDCVCGKTA-HXUWFJFHSA-N 2 2 403.636 3.622 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764644 983055590 /nfs/dbraw/zinc/05/55/90/983055590.db2.gz PKOXCACYTNRRAW-GOTSBHOMSA-N 2 2 410.562 3.504 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)[NH+]2CCCCC2)cc1 ZINC000438764644 983055597 /nfs/dbraw/zinc/05/55/97/983055597.db2.gz PKOXCACYTNRRAW-GOTSBHOMSA-N 2 2 410.562 3.504 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000439653264 983485292 /nfs/dbraw/zinc/48/52/92/983485292.db2.gz VCGLGPZUBMKOFX-QGZVFWFLSA-N 2 2 401.551 3.908 20 0 HHADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000439730445 983517786 /nfs/dbraw/zinc/51/77/86/983517786.db2.gz KCLXMPSOBBXYOS-WMZHIEFXSA-N 2 2 424.614 3.513 20 0 HHADLP CC[N@H+](CCC(=O)N1CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699677 983859249 /nfs/dbraw/zinc/85/92/49/983859249.db2.gz CSRQGFANYQNRHL-LJQANCHMSA-N 2 2 401.599 3.600 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699677 983859261 /nfs/dbraw/zinc/85/92/61/983859261.db2.gz CSRQGFANYQNRHL-LJQANCHMSA-N 2 2 401.599 3.600 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000441257298 984142500 /nfs/dbraw/zinc/14/25/00/984142500.db2.gz OVGYQPQZFLPACN-SPYBWZPUSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000441257298 984142503 /nfs/dbraw/zinc/14/25/03/984142503.db2.gz OVGYQPQZFLPACN-SPYBWZPUSA-N 2 2 408.949 3.540 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334791 984191338 /nfs/dbraw/zinc/19/13/38/984191338.db2.gz XKHUHUZVLBNWQZ-GOTSBHOMSA-N 2 2 406.574 3.697 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000441334791 984191340 /nfs/dbraw/zinc/19/13/40/984191340.db2.gz XKHUHUZVLBNWQZ-GOTSBHOMSA-N 2 2 406.574 3.697 20 0 HHADLP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441364148 984209434 /nfs/dbraw/zinc/20/94/34/984209434.db2.gz LPLRXSDUERRTEC-NQIIRXRSSA-N 2 2 422.529 3.875 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000441370154 984213470 /nfs/dbraw/zinc/21/34/70/984213470.db2.gz GQWCQNDFNHLPFJ-NQIIRXRSSA-N 2 2 420.513 3.629 20 0 HHADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378852 984219157 /nfs/dbraw/zinc/21/91/57/984219157.db2.gz NDRBIORBDXUJLT-QPPBQGQZSA-N 2 2 420.557 3.723 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378856 984219528 /nfs/dbraw/zinc/21/95/28/984219528.db2.gz NEBPVCMRKQUWMX-AUSIDOKSSA-N 2 2 406.530 3.544 20 0 HHADLP COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378859 984219835 /nfs/dbraw/zinc/21/98/35/984219835.db2.gz NEBPVCMRKQUWMX-XXBNENTESA-N 2 2 406.530 3.544 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1 ZINC000441384383 984223176 /nfs/dbraw/zinc/22/31/76/984223176.db2.gz XVJLADODBZYYOP-RDPSFJRHSA-N 2 2 402.542 3.804 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441405479 984234588 /nfs/dbraw/zinc/23/45/88/984234588.db2.gz BWMZSOHDFOBZLG-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441405479 984234594 /nfs/dbraw/zinc/23/45/94/984234594.db2.gz BWMZSOHDFOBZLG-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441405479 984234599 /nfs/dbraw/zinc/23/45/99/984234599.db2.gz BWMZSOHDFOBZLG-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441405479 984234605 /nfs/dbraw/zinc/23/46/05/984234605.db2.gz BWMZSOHDFOBZLG-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000441889820 984521050 /nfs/dbraw/zinc/52/10/50/984521050.db2.gz PYZAAXJXHZMJQS-IBGZPJMESA-N 2 2 411.303 3.954 20 0 HHADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000441889820 984521053 /nfs/dbraw/zinc/52/10/53/984521053.db2.gz PYZAAXJXHZMJQS-IBGZPJMESA-N 2 2 411.303 3.954 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000442235818 984755774 /nfs/dbraw/zinc/75/57/74/984755774.db2.gz KKBHTAIAJDJCMF-LADGPHEKSA-N 2 2 419.573 3.713 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1 ZINC000442239538 984760403 /nfs/dbraw/zinc/76/04/03/984760403.db2.gz UEGXMSIXKFOXLZ-GMAHTHKFSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1 ZINC000442239538 984760410 /nfs/dbraw/zinc/76/04/10/984760410.db2.gz UEGXMSIXKFOXLZ-GMAHTHKFSA-N 2 2 411.594 3.908 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000442244972 984766832 /nfs/dbraw/zinc/76/68/32/984766832.db2.gz VSVFOCPHBWXBCC-HSZRJFAPSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(C)c1 ZINC000442247430 984768991 /nfs/dbraw/zinc/76/89/91/984768991.db2.gz WJCAFDSKGBBISY-HSZRJFAPSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC000442247430 984769003 /nfs/dbraw/zinc/76/90/03/984769003.db2.gz WJCAFDSKGBBISY-HSZRJFAPSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000442247541 984769925 /nfs/dbraw/zinc/76/99/25/984769925.db2.gz DXEKLTVCFUZGEW-HSZRJFAPSA-N 2 2 423.561 3.916 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000442595951 985081631 /nfs/dbraw/zinc/08/16/31/985081631.db2.gz OOUDJCBLJWTSDG-QFIPXVFZSA-N 2 2 400.611 3.758 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000442595951 985081643 /nfs/dbraw/zinc/08/16/43/985081643.db2.gz OOUDJCBLJWTSDG-QFIPXVFZSA-N 2 2 400.611 3.758 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462231129 985212589 /nfs/dbraw/zinc/21/25/89/985212589.db2.gz WVEPLJRZHOJECU-SFTDATJTSA-N 2 2 422.564 3.757 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462231129 985212610 /nfs/dbraw/zinc/21/26/10/985212610.db2.gz WVEPLJRZHOJECU-SFTDATJTSA-N 2 2 422.564 3.757 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261944 985249600 /nfs/dbraw/zinc/24/96/00/985249600.db2.gz YCWIBFABLYRMSC-PXNSSMCTSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261944 985249612 /nfs/dbraw/zinc/24/96/12/985249612.db2.gz YCWIBFABLYRMSC-PXNSSMCTSA-N 2 2 413.591 3.771 20 0 HHADLP COCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750229 985691491 /nfs/dbraw/zinc/69/14/91/985691491.db2.gz NAVWQQUDDZAAPL-FCHUYYIVSA-N 2 2 422.658 3.562 20 0 HHADLP COCC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750229 985691496 /nfs/dbraw/zinc/69/14/96/985691496.db2.gz NAVWQQUDDZAAPL-FCHUYYIVSA-N 2 2 422.658 3.562 20 0 HHADLP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)CC1 ZINC000443586606 985761715 /nfs/dbraw/zinc/76/17/15/985761715.db2.gz XKSVHHMEBHGBSH-HXUWFJFHSA-N 2 2 410.389 3.857 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000443594225 985769368 /nfs/dbraw/zinc/76/93/68/985769368.db2.gz QRUATPGTRBDNIZ-DENIHFKCSA-N 2 2 402.583 3.712 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000443594225 985769378 /nfs/dbraw/zinc/76/93/78/985769378.db2.gz QRUATPGTRBDNIZ-DENIHFKCSA-N 2 2 402.583 3.712 20 0 HHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623412 985800986 /nfs/dbraw/zinc/80/09/86/985800986.db2.gz LOWAWYRURIINMW-AYOQOUSVSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623412 985801003 /nfs/dbraw/zinc/80/10/03/985801003.db2.gz LOWAWYRURIINMW-AYOQOUSVSA-N 2 2 410.965 3.598 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000462915824 985848158 /nfs/dbraw/zinc/84/81/58/985848158.db2.gz WTWIFWLUORGWQZ-MRXNPFEDSA-N 2 2 413.381 3.603 20 0 HHADLP NC(=O)C1CC[NH+](C[C@H](Nc2cc3c(c[nH+]2)CCCC3)c2ccc(Cl)cc2)CC1 ZINC000462951104 985894083 /nfs/dbraw/zinc/89/40/83/985894083.db2.gz FTELIJMEIUYEPC-NRFANRHFSA-N 2 2 412.965 3.964 20 0 HHADLP O=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000463072347 986029246 /nfs/dbraw/zinc/02/92/46/986029246.db2.gz ZSLMECFYXZQIKV-UHFFFAOYSA-N 2 2 416.363 3.684 20 0 HHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080858 986038467 /nfs/dbraw/zinc/03/84/67/986038467.db2.gz GZDCDLQHKMQZFD-QFIPXVFZSA-N 3 2 407.602 3.704 20 0 HHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080858 986038487 /nfs/dbraw/zinc/03/84/87/986038487.db2.gz GZDCDLQHKMQZFD-QFIPXVFZSA-N 3 2 407.602 3.704 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077477 /nfs/dbraw/zinc/07/74/77/986077477.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 3 2 409.593 3.987 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114468 986077491 /nfs/dbraw/zinc/07/74/91/986077491.db2.gz HNBJOVCRYQWGPV-DEOSSOPVSA-N 3 2 409.593 3.987 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087773 /nfs/dbraw/zinc/08/77/73/986087773.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 3 2 405.602 3.559 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087786 /nfs/dbraw/zinc/08/77/86/986087786.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 3 2 405.602 3.559 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccnc3OCC(F)(F)F)CC2)cc1 ZINC000463137408 986105437 /nfs/dbraw/zinc/10/54/37/986105437.db2.gz KISGECNPUCAGBD-UHFFFAOYSA-N 2 2 411.443 3.959 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468411533 986110166 /nfs/dbraw/zinc/11/01/66/986110166.db2.gz ITGIQMGGVSSNQB-RTWAWAEBSA-N 2 2 407.549 3.962 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468411533 986110170 /nfs/dbraw/zinc/11/01/70/986110170.db2.gz ITGIQMGGVSSNQB-RTWAWAEBSA-N 2 2 407.549 3.962 20 0 HHADLP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)oc1C ZINC000463153945 986125182 /nfs/dbraw/zinc/12/51/82/986125182.db2.gz XNXNGXUOYRZWNZ-UHFFFAOYSA-N 3 2 410.606 3.800 20 0 HHADLP Cc1nc(CN2CCC(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)oc1C ZINC000463153945 986125185 /nfs/dbraw/zinc/12/51/85/986125185.db2.gz XNXNGXUOYRZWNZ-UHFFFAOYSA-N 2 2 410.606 3.800 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000463192224 986164226 /nfs/dbraw/zinc/16/42/26/986164226.db2.gz RFQTWUDVJMKQBQ-UHFFFAOYSA-N 2 2 422.447 3.953 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC000468505346 986206644 /nfs/dbraw/zinc/20/66/44/986206644.db2.gz ODLNZQGBLGIKDO-UHFFFAOYSA-N 2 2 401.551 3.540 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)ccc1Br ZINC000463401393 986368664 /nfs/dbraw/zinc/36/86/64/986368664.db2.gz DAXSAHZSDGLHSJ-LJQANCHMSA-N 2 2 408.384 3.715 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211362 986393351 /nfs/dbraw/zinc/39/33/51/986393351.db2.gz JVVQYDAZBXKKKR-XUZZJYLKSA-N 2 2 413.606 3.947 20 0 HHADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444211362 986393359 /nfs/dbraw/zinc/39/33/59/986393359.db2.gz JVVQYDAZBXKKKR-XUZZJYLKSA-N 2 2 413.606 3.947 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CCOCC1)c1ccccc1 ZINC000468940110 986644508 /nfs/dbraw/zinc/64/45/08/986644508.db2.gz JEXBZBWXYSQZQI-DLBZAZTESA-N 2 2 421.383 3.524 20 0 HHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468940377 986644920 /nfs/dbraw/zinc/64/49/20/986644920.db2.gz JEXBZBWXYSQZQI-IAGOWNOFSA-N 2 2 421.383 3.524 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)CC1 ZINC000444627361 986813363 /nfs/dbraw/zinc/81/33/63/986813363.db2.gz XXYPJODKIBQPJJ-UHFFFAOYSA-N 2 2 418.651 3.957 20 0 HHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000444781116 986938398 /nfs/dbraw/zinc/93/83/98/986938398.db2.gz GNOUWFRKCBMZSK-LJQANCHMSA-N 2 2 420.479 3.712 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843440 987001907 /nfs/dbraw/zinc/00/19/07/987001907.db2.gz BKUUXNPTNVXZPZ-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843440 987001920 /nfs/dbraw/zinc/00/19/20/987001920.db2.gz BKUUXNPTNVXZPZ-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843440 987001930 /nfs/dbraw/zinc/00/19/30/987001930.db2.gz BKUUXNPTNVXZPZ-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000444843440 987001941 /nfs/dbraw/zinc/00/19/41/987001941.db2.gz BKUUXNPTNVXZPZ-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000469391179 987089757 /nfs/dbraw/zinc/08/97/57/987089757.db2.gz ODOURKVARUOBFY-HSZRJFAPSA-N 2 2 411.977 3.915 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000469491328 987172129 /nfs/dbraw/zinc/17/21/29/987172129.db2.gz FGMIJPJNKSNTIA-OAQYLSRUSA-N 2 2 421.585 3.912 20 0 HHADLP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469678894 987336190 /nfs/dbraw/zinc/33/61/90/987336190.db2.gz FSXDYLFJQOWFGV-UHFFFAOYSA-N 2 2 415.626 3.846 20 0 HHADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707460 987363401 /nfs/dbraw/zinc/36/34/01/987363401.db2.gz IXZVYSMOXNMWJM-MSOLQXFVSA-N 2 2 420.479 3.743 20 0 HHADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707460 987363410 /nfs/dbraw/zinc/36/34/10/987363410.db2.gz IXZVYSMOXNMWJM-MSOLQXFVSA-N 2 2 420.479 3.743 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000469745243 987395524 /nfs/dbraw/zinc/39/55/24/987395524.db2.gz PHWOSSQLCPPVHZ-MDNUFGMLSA-N 2 2 409.578 3.949 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000469745246 987396397 /nfs/dbraw/zinc/39/63/97/987396397.db2.gz PHWOSSQLCPPVHZ-WWNPGLIZSA-N 2 2 409.578 3.949 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(OC)c1 ZINC000469867952 987505038 /nfs/dbraw/zinc/50/50/38/987505038.db2.gz ZHVSSYNJMHNWBN-QIJUGHKUSA-N 2 2 413.566 3.567 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000470288964 988247169 /nfs/dbraw/zinc/24/71/69/988247169.db2.gz VEIGJEHDLZZTAJ-RDJZCZTQSA-N 2 2 409.456 3.620 20 0 HHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464263399 988377821 /nfs/dbraw/zinc/37/78/21/988377821.db2.gz UQJOLVARTUQPIF-MSOLQXFVSA-N 2 2 418.548 3.699 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC000470470833 988458927 /nfs/dbraw/zinc/45/89/27/988458927.db2.gz QBITXIIOIJSAIH-HXUWFJFHSA-N 2 2 404.599 3.592 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470886860 988958858 /nfs/dbraw/zinc/95/88/58/988958858.db2.gz XYFJMWOCTYQUGG-FXAWDEMLSA-N 2 2 422.976 3.571 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470886860 988958867 /nfs/dbraw/zinc/95/88/67/988958867.db2.gz XYFJMWOCTYQUGG-FXAWDEMLSA-N 2 2 422.976 3.571 20 0 HHADLP CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000464752493 988973865 /nfs/dbraw/zinc/97/38/65/988973865.db2.gz QIXYUJPVERVANL-LJQANCHMSA-N 2 2 416.610 3.530 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806153 989036696 /nfs/dbraw/zinc/03/66/96/989036696.db2.gz CIWXYTUAKKRDSU-LJQANCHMSA-N 2 2 410.562 3.506 20 0 HHADLP CC[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806153 989036707 /nfs/dbraw/zinc/03/67/07/989036707.db2.gz CIWXYTUAKKRDSU-LJQANCHMSA-N 2 2 410.562 3.506 20 0 HHADLP CC[N@@H+](CC(=O)NCc1ccc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810915 989044976 /nfs/dbraw/zinc/04/49/76/989044976.db2.gz PYJSHAKWDAUXRA-UHFFFAOYSA-N 2 2 406.983 3.651 20 0 HHADLP CC[N@H+](CC(=O)NCc1ccc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810915 989044989 /nfs/dbraw/zinc/04/49/89/989044989.db2.gz PYJSHAKWDAUXRA-UHFFFAOYSA-N 2 2 406.983 3.651 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837935 989081848 /nfs/dbraw/zinc/08/18/48/989081848.db2.gz ZAJSAWLKXMEAKS-SFHVURJKSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837935 989081856 /nfs/dbraw/zinc/08/18/56/989081856.db2.gz ZAJSAWLKXMEAKS-SFHVURJKSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837935 989081865 /nfs/dbraw/zinc/08/18/65/989081865.db2.gz ZAJSAWLKXMEAKS-SFHVURJKSA-N 2 2 405.995 3.814 20 0 HHADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837935 989081876 /nfs/dbraw/zinc/08/18/76/989081876.db2.gz ZAJSAWLKXMEAKS-SFHVURJKSA-N 2 2 405.995 3.814 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839432 989084282 /nfs/dbraw/zinc/08/42/82/989084282.db2.gz QNEOHKREABRRLN-UNMCSNQZSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839432 989084288 /nfs/dbraw/zinc/08/42/88/989084288.db2.gz QNEOHKREABRRLN-UNMCSNQZSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839432 989084294 /nfs/dbraw/zinc/08/42/94/989084294.db2.gz QNEOHKREABRRLN-UNMCSNQZSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839432 989084302 /nfs/dbraw/zinc/08/43/02/989084302.db2.gz QNEOHKREABRRLN-UNMCSNQZSA-N 2 2 422.573 3.794 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844622 989092888 /nfs/dbraw/zinc/09/28/88/989092888.db2.gz BPGGWNXJLZDXRU-RBBKRZOGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844622 989092896 /nfs/dbraw/zinc/09/28/96/989092896.db2.gz BPGGWNXJLZDXRU-RBBKRZOGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844622 989092906 /nfs/dbraw/zinc/09/29/06/989092906.db2.gz BPGGWNXJLZDXRU-RBBKRZOGSA-N 2 2 418.585 3.669 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844622 989092915 /nfs/dbraw/zinc/09/29/15/989092915.db2.gz BPGGWNXJLZDXRU-RBBKRZOGSA-N 2 2 418.585 3.669 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098196 989194399 /nfs/dbraw/zinc/19/43/99/989194399.db2.gz BTGQXNLOLNZKOQ-GOTSBHOMSA-N 2 2 415.626 3.798 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098196 989194405 /nfs/dbraw/zinc/19/44/05/989194405.db2.gz BTGQXNLOLNZKOQ-GOTSBHOMSA-N 2 2 415.626 3.798 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151451 989266091 /nfs/dbraw/zinc/26/60/91/989266091.db2.gz MZABKZQFLULROY-RBBKRZOGSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151451 989266104 /nfs/dbraw/zinc/26/61/04/989266104.db2.gz MZABKZQFLULROY-RBBKRZOGSA-N 2 2 422.573 3.518 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186657 989320336 /nfs/dbraw/zinc/32/03/36/989320336.db2.gz OBIBIYZOPVYDRH-REWPJTCUSA-N 2 2 406.505 3.976 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186657 989320344 /nfs/dbraw/zinc/32/03/44/989320344.db2.gz OBIBIYZOPVYDRH-REWPJTCUSA-N 2 2 406.505 3.976 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000465420854 989766162 /nfs/dbraw/zinc/76/61/62/989766162.db2.gz JLBPMMOCHNAPFL-UHFFFAOYSA-N 2 2 401.599 3.594 20 0 HHADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000471584400 989788307 /nfs/dbraw/zinc/78/83/07/989788307.db2.gz GBHIRBVDVYFDEW-RBBKRZOGSA-N 2 2 421.589 3.566 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465516613 989868642 /nfs/dbraw/zinc/86/86/42/989868642.db2.gz BKIGXMHQLRVGOS-FQEVSTJZSA-N 2 2 403.958 3.761 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000465525850 989882056 /nfs/dbraw/zinc/88/20/56/989882056.db2.gz SNFBADINOFLPQJ-KRWDZBQOSA-N 2 2 424.536 3.599 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000465773838 990157247 /nfs/dbraw/zinc/15/72/47/990157247.db2.gz CKVSZENYGBAMDI-HSZRJFAPSA-N 2 2 421.589 3.713 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000465773838 990157251 /nfs/dbraw/zinc/15/72/51/990157251.db2.gz CKVSZENYGBAMDI-HSZRJFAPSA-N 2 2 421.589 3.713 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000466100032 991279154 /nfs/dbraw/zinc/27/91/54/991279154.db2.gz KVWZZONIJLPRHL-OALUTQOASA-N 2 2 402.583 3.539 20 0 HHADLP C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466144517 991326977 /nfs/dbraw/zinc/32/69/77/991326977.db2.gz SCXGUBKXHNGPHV-UGKGYDQZSA-N 2 2 416.585 3.869 20 0 HHADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[C@@H]1c1ccccc1 ZINC000466155389 991341854 /nfs/dbraw/zinc/34/18/54/991341854.db2.gz WZOGCTHJBMIIDK-GMAHTHKFSA-N 2 2 412.622 3.772 20 0 HHADLP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000466358728 991627257 /nfs/dbraw/zinc/62/72/57/991627257.db2.gz YIJFWVHXULJZJN-LJQANCHMSA-N 2 2 408.384 3.577 20 0 HHADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000466395573 991687203 /nfs/dbraw/zinc/68/72/03/991687203.db2.gz KZGZAWVTFWVCPD-UHFFFAOYSA-N 2 2 401.580 3.555 20 0 HHADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000466857891 992176599 /nfs/dbraw/zinc/17/65/99/992176599.db2.gz NDTBOCYOBZEJFW-DNQXCXABSA-N 2 2 417.557 3.715 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000467138932 992454528 /nfs/dbraw/zinc/45/45/28/992454528.db2.gz YBMAQTAILODMSQ-UHFFFAOYSA-N 2 2 402.542 3.861 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000467140036 992455574 /nfs/dbraw/zinc/45/55/74/992455574.db2.gz VRPHXSBCGNYTAS-UHFFFAOYSA-N 2 2 401.514 3.922 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276751 992598764 /nfs/dbraw/zinc/59/87/64/992598764.db2.gz BNYUSUICXSVCGB-GDBMZVCRSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276751 992598772 /nfs/dbraw/zinc/59/87/72/992598772.db2.gz BNYUSUICXSVCGB-GDBMZVCRSA-N 2 2 424.376 3.816 20 0 HHADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCSC1 ZINC000467409779 992714361 /nfs/dbraw/zinc/71/43/61/992714361.db2.gz AJQPSKPBXPLAQH-MOPGFXCFSA-N 2 2 413.425 3.944 20 0 HHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000467424089 992724314 /nfs/dbraw/zinc/72/43/14/992724314.db2.gz GSUIURJANXVALC-QFIPXVFZSA-N 2 2 414.571 3.733 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849985 993081656 /nfs/dbraw/zinc/08/16/56/993081656.db2.gz IDJRKBINUVOEAT-LRQRDZAKSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Br)c1 ZINC000467849985 993081662 /nfs/dbraw/zinc/08/16/62/993081662.db2.gz IDJRKBINUVOEAT-LRQRDZAKSA-N 2 2 403.364 3.983 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300681 993314258 /nfs/dbraw/zinc/31/42/58/993314258.db2.gz ZCHPVQFPIYGLKR-BPBCLYCFSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(C)(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000472300681 993314267 /nfs/dbraw/zinc/31/42/67/993314267.db2.gz ZCHPVQFPIYGLKR-BPBCLYCFSA-N 2 2 422.658 3.560 20 0 HHADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480798718 993668056 /nfs/dbraw/zinc/66/80/56/993668056.db2.gz MBZVWQFJZFLKIV-FQEVSTJZSA-N 2 2 409.500 3.692 20 0 HHADLP O[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480805034 993675937 /nfs/dbraw/zinc/67/59/37/993675937.db2.gz PIEYTTRABRKCHZ-NQIIRXRSSA-N 2 2 406.448 3.581 20 0 HHADLP O[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000480805034 993675942 /nfs/dbraw/zinc/67/59/42/993675942.db2.gz PIEYTTRABRKCHZ-NQIIRXRSSA-N 2 2 406.448 3.581 20 0 HHADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480824129 993700460 /nfs/dbraw/zinc/70/04/60/993700460.db2.gz HACKOAMSBIMZNN-JOCHJYFZSA-N 2 2 406.530 3.639 20 0 HHADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472765613 993705901 /nfs/dbraw/zinc/70/59/01/993705901.db2.gz FEVBQALAOMQKKE-XLIONFOSSA-N 2 2 407.327 3.561 20 0 HHADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472765613 993705912 /nfs/dbraw/zinc/70/59/12/993705912.db2.gz FEVBQALAOMQKKE-XLIONFOSSA-N 2 2 407.327 3.561 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000472948665 993879726 /nfs/dbraw/zinc/87/97/26/993879726.db2.gz HAXKQVBSLQOPFA-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP C[C@H](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000472948665 993879736 /nfs/dbraw/zinc/87/97/36/993879736.db2.gz HAXKQVBSLQOPFA-HXUWFJFHSA-N 2 2 405.546 3.641 20 0 HHADLP COc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000473023734 993943355 /nfs/dbraw/zinc/94/33/55/993943355.db2.gz ODQCZDRWCKNFMX-JOCHJYFZSA-N 2 2 416.610 3.640 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481179436 994009649 /nfs/dbraw/zinc/00/96/49/994009649.db2.gz UTMGQRGJYFYTOW-DXIQSLLYSA-N 2 2 423.557 3.609 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481179436 994009657 /nfs/dbraw/zinc/00/96/57/994009657.db2.gz UTMGQRGJYFYTOW-DXIQSLLYSA-N 2 2 423.557 3.609 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320297 994140456 /nfs/dbraw/zinc/14/04/56/994140456.db2.gz ZLXJZOBMLSZSPP-QFIPXVFZSA-N 2 2 418.589 3.516 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321914 994141625 /nfs/dbraw/zinc/14/16/25/994141625.db2.gz YOQXJXQYJVHTLQ-ONOMSOESSA-N 2 2 413.631 3.673 20 0 HHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481417996 994252627 /nfs/dbraw/zinc/25/26/27/994252627.db2.gz SKXVCAOVHYBZAM-JOCHJYFZSA-N 2 2 400.494 3.540 20 0 HHADLP O=C(CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481424206 994259263 /nfs/dbraw/zinc/25/92/63/994259263.db2.gz ITWJGSCHNWEHPV-HXUWFJFHSA-N 2 2 410.537 3.529 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481424206 994259283 /nfs/dbraw/zinc/25/92/83/994259283.db2.gz ITWJGSCHNWEHPV-HXUWFJFHSA-N 2 2 410.537 3.529 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000481538592 994369562 /nfs/dbraw/zinc/36/95/62/994369562.db2.gz CIKWBSBUKXVAMH-GOSISDBHSA-N 2 2 412.559 3.754 20 0 HHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000481558818 994393505 /nfs/dbraw/zinc/39/35/05/994393505.db2.gz RAEGVQGKXGKSEG-SJORKVTESA-N 2 2 402.510 3.914 20 0 HHADLP COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000481558818 994393515 /nfs/dbraw/zinc/39/35/15/994393515.db2.gz RAEGVQGKXGKSEG-SJORKVTESA-N 2 2 402.510 3.914 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583349 994424761 /nfs/dbraw/zinc/42/47/61/994424761.db2.gz QFGLRLXHMIVZGL-UXHICEINSA-N 2 2 419.573 3.956 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583349 994424771 /nfs/dbraw/zinc/42/47/71/994424771.db2.gz QFGLRLXHMIVZGL-UXHICEINSA-N 2 2 419.573 3.956 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481585821 994429773 /nfs/dbraw/zinc/42/97/73/994429773.db2.gz WQBOUVOPQCMEFI-HNAYVOBHSA-N 2 2 405.420 3.982 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000473642911 994525239 /nfs/dbraw/zinc/52/52/39/994525239.db2.gz YKYXVBOBXVXFQP-LJQANCHMSA-N 2 2 414.594 3.998 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000481932943 994804824 /nfs/dbraw/zinc/80/48/24/994804824.db2.gz FAHRPOMLKSWTHI-JRGCBEDISA-N 2 2 414.981 3.823 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000481932943 994804835 /nfs/dbraw/zinc/80/48/35/994804835.db2.gz FAHRPOMLKSWTHI-JRGCBEDISA-N 2 2 414.981 3.823 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482004892 994906823 /nfs/dbraw/zinc/90/68/23/994906823.db2.gz WZSCWEVLDHUJLB-ZYHUDNBSSA-N 2 2 408.711 3.526 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482004892 994906835 /nfs/dbraw/zinc/90/68/35/994906835.db2.gz WZSCWEVLDHUJLB-ZYHUDNBSSA-N 2 2 408.711 3.526 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034154 994952145 /nfs/dbraw/zinc/95/21/45/994952145.db2.gz VBTFEXRHQIAAKI-RDPSFJRHSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000482034154 994952156 /nfs/dbraw/zinc/95/21/56/994952156.db2.gz VBTFEXRHQIAAKI-RDPSFJRHSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035951 994954663 /nfs/dbraw/zinc/95/46/63/994954663.db2.gz VDGVJPGVYPHLPB-MAUKXSAKSA-N 2 2 417.541 3.934 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000482035951 994954671 /nfs/dbraw/zinc/95/46/71/994954671.db2.gz VDGVJPGVYPHLPB-MAUKXSAKSA-N 2 2 417.541 3.934 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000474052122 995041613 /nfs/dbraw/zinc/04/16/13/995041613.db2.gz AJRKFFPGCKTGDC-WOJBJXKFSA-N 2 2 417.557 3.828 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000482137445 995087732 /nfs/dbraw/zinc/08/77/32/995087732.db2.gz ASJWETZFBRBKCL-QUCCMNQESA-N 2 2 400.592 3.899 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000482156062 995110235 /nfs/dbraw/zinc/11/02/35/995110235.db2.gz HZOXZEAHAXLFHR-RDTXWAMCSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000482156062 995110244 /nfs/dbraw/zinc/11/02/44/995110244.db2.gz HZOXZEAHAXLFHR-RDTXWAMCSA-N 2 2 402.366 3.659 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)c1 ZINC000474209327 995205197 /nfs/dbraw/zinc/20/51/97/995205197.db2.gz IRUGKVPCTMDUDC-XMSQKQJNSA-N 2 2 410.562 3.600 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)c(C)c2)CC1 ZINC000474291799 995283863 /nfs/dbraw/zinc/28/38/63/995283863.db2.gz RITYKJDNRLLQGJ-GOSISDBHSA-N 2 2 409.578 3.727 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)c(C)c2)CC1 ZINC000474291799 995283872 /nfs/dbraw/zinc/28/38/72/995283872.db2.gz RITYKJDNRLLQGJ-GOSISDBHSA-N 2 2 409.578 3.727 20 0 HHADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000474325500 995307979 /nfs/dbraw/zinc/30/79/79/995307979.db2.gz IWAXAAPJXOVJPS-UHFFFAOYSA-N 2 2 415.541 3.660 20 0 HHADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000474325500 995307988 /nfs/dbraw/zinc/30/79/88/995307988.db2.gz IWAXAAPJXOVJPS-UHFFFAOYSA-N 2 2 415.541 3.660 20 0 HHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325481 995308165 /nfs/dbraw/zinc/30/81/65/995308165.db2.gz IOEKWFDCFVOKID-UXHICEINSA-N 2 2 401.551 3.805 20 0 HHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325481 995308172 /nfs/dbraw/zinc/30/81/72/995308172.db2.gz IOEKWFDCFVOKID-UXHICEINSA-N 2 2 401.551 3.805 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438179 995431856 /nfs/dbraw/zinc/43/18/56/995431856.db2.gz LWQDJKGEGUDQPE-RXVVDRJESA-N 2 2 407.537 3.930 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438179 995431862 /nfs/dbraw/zinc/43/18/62/995431862.db2.gz LWQDJKGEGUDQPE-RXVVDRJESA-N 2 2 407.537 3.930 20 0 HHADLP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000474634367 995580800 /nfs/dbraw/zinc/58/08/00/995580800.db2.gz LQTPIHYFXDECNU-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000474634367 995580813 /nfs/dbraw/zinc/58/08/13/995580813.db2.gz LQTPIHYFXDECNU-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000482616853 995613225 /nfs/dbraw/zinc/61/32/25/995613225.db2.gz CDUZNCTXWXRBRH-GUYCJALGSA-N 2 2 406.983 3.762 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000482616853 995613230 /nfs/dbraw/zinc/61/32/30/995613230.db2.gz CDUZNCTXWXRBRH-GUYCJALGSA-N 2 2 406.983 3.762 20 0 HHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000482652430 995646082 /nfs/dbraw/zinc/64/60/82/995646082.db2.gz BUWKUJVJVWHOQZ-UHFFFAOYSA-N 2 2 401.599 3.916 20 0 HHADLP CCOC(=O)c1coc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000474711804 995651108 /nfs/dbraw/zinc/65/11/08/995651108.db2.gz SFQCVPBDLDQNGK-MRXNPFEDSA-N 2 2 403.498 3.588 20 0 HHADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)c1 ZINC000474711802 995651350 /nfs/dbraw/zinc/65/13/50/995651350.db2.gz SFQCVPBDLDQNGK-INIZCTEOSA-N 2 2 403.498 3.588 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cn2c1 ZINC000474783505 995708852 /nfs/dbraw/zinc/70/88/52/995708852.db2.gz LTDMROJYDZAZEF-JPYJTQIMSA-N 2 2 410.587 3.992 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000482730623 995712888 /nfs/dbraw/zinc/71/28/88/995712888.db2.gz CRVIIAPNFFTFHR-LJQANCHMSA-N 2 2 413.566 3.627 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000474902135 995789724 /nfs/dbraw/zinc/78/97/24/995789724.db2.gz SYOPCGWZFAGAPA-UHFFFAOYSA-N 2 2 400.473 3.780 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000474902135 995789734 /nfs/dbraw/zinc/78/97/34/995789734.db2.gz SYOPCGWZFAGAPA-UHFFFAOYSA-N 2 2 400.473 3.780 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000475143529 995951298 /nfs/dbraw/zinc/95/12/98/995951298.db2.gz IQRHODNQZIMIAD-LSDHHAIUSA-N 2 2 414.497 3.622 20 0 HHADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000475146612 995953187 /nfs/dbraw/zinc/95/31/87/995953187.db2.gz XXCZUDDLSOFINL-DYESRHJHSA-N 2 2 408.571 3.880 20 0 HHADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475172855 995970792 /nfs/dbraw/zinc/97/07/92/995970792.db2.gz GVVYJCCTZUCNIE-OAQYLSRUSA-N 2 2 421.520 3.817 20 0 HHADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475172855 995970799 /nfs/dbraw/zinc/97/07/99/995970799.db2.gz GVVYJCCTZUCNIE-OAQYLSRUSA-N 2 2 421.520 3.817 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000475225397 996008762 /nfs/dbraw/zinc/00/87/62/996008762.db2.gz VGQCNKCCGODCNK-MISYRCLQSA-N 2 2 404.601 3.542 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000475225397 996008767 /nfs/dbraw/zinc/00/87/67/996008767.db2.gz VGQCNKCCGODCNK-MISYRCLQSA-N 2 2 404.601 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161197 996010327 /nfs/dbraw/zinc/01/03/27/996010327.db2.gz SPCAPVJHNRWZKW-RLLQIKCJSA-N 2 2 416.516 3.762 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161197 996010334 /nfs/dbraw/zinc/01/03/34/996010334.db2.gz SPCAPVJHNRWZKW-RLLQIKCJSA-N 2 2 416.516 3.762 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4cc(-c5ccccc5)oc4C3)CC2)CC1 ZINC000475316182 996065968 /nfs/dbraw/zinc/06/59/68/996065968.db2.gz KYGLXDACBGHROG-UHFFFAOYSA-N 2 2 422.573 3.573 20 0 HHADLP C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000483267037 996071079 /nfs/dbraw/zinc/07/10/79/996071079.db2.gz WVWLBBXUCKMAII-OFNKIYASSA-N 2 2 408.590 3.544 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483329863 996102117 /nfs/dbraw/zinc/10/21/17/996102117.db2.gz GMTYSKGCUQUZNP-IBGZPJMESA-N 2 2 413.566 3.627 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000475421863 996128376 /nfs/dbraw/zinc/12/83/76/996128376.db2.gz BLUHKKVKYHJJGP-IRXDYDNUSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000475421863 996128381 /nfs/dbraw/zinc/12/83/81/996128381.db2.gz BLUHKKVKYHJJGP-IRXDYDNUSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000475421863 996128383 /nfs/dbraw/zinc/12/83/83/996128383.db2.gz BLUHKKVKYHJJGP-IRXDYDNUSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000475421863 996128389 /nfs/dbraw/zinc/12/83/89/996128389.db2.gz BLUHKKVKYHJJGP-IRXDYDNUSA-N 2 2 400.592 3.728 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000475445081 996144321 /nfs/dbraw/zinc/14/43/21/996144321.db2.gz ARVWAWLTPWPMPU-QGZVFWFLSA-N 2 2 404.505 3.593 20 0 HHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475534114 996206299 /nfs/dbraw/zinc/20/62/99/996206299.db2.gz UWRVOQVDUWQYQR-KRWDZBQOSA-N 2 2 422.577 3.968 20 0 HHADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000475534114 996206304 /nfs/dbraw/zinc/20/63/04/996206304.db2.gz UWRVOQVDUWQYQR-KRWDZBQOSA-N 2 2 422.577 3.968 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483563790 996253080 /nfs/dbraw/zinc/25/30/80/996253080.db2.gz BEDQOQFDNVSCSZ-VWNXMTODSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483563790 996253090 /nfs/dbraw/zinc/25/30/90/996253090.db2.gz BEDQOQFDNVSCSZ-VWNXMTODSA-N 2 2 400.526 3.999 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000483863215 996433812 /nfs/dbraw/zinc/43/38/12/996433812.db2.gz BNGLLBRQYDMHIU-KCZVDYSFSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000483863215 996433814 /nfs/dbraw/zinc/43/38/14/996433814.db2.gz BNGLLBRQYDMHIU-KCZVDYSFSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000483864883 996434933 /nfs/dbraw/zinc/43/49/33/996434933.db2.gz PAULHGICUVLGLM-MRXNPFEDSA-N 2 2 405.612 3.904 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000483864883 996434935 /nfs/dbraw/zinc/43/49/35/996434935.db2.gz PAULHGICUVLGLM-MRXNPFEDSA-N 2 2 405.612 3.904 20 0 HHADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1 ZINC000484128146 996585770 /nfs/dbraw/zinc/58/57/70/996585770.db2.gz IBJGPWBWYLKRCB-MOPGFXCFSA-N 2 2 415.603 3.909 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484138557 996592451 /nfs/dbraw/zinc/59/24/51/996592451.db2.gz GZFXYMMBXHOGMY-KWOQKUFVSA-N 2 2 424.589 3.750 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484138557 996592453 /nfs/dbraw/zinc/59/24/53/996592453.db2.gz GZFXYMMBXHOGMY-KWOQKUFVSA-N 2 2 424.589 3.750 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154644 996603788 /nfs/dbraw/zinc/60/37/88/996603788.db2.gz CRBPKSYLGANJTF-KSFYIVLOSA-N 2 2 406.473 3.584 20 0 HHADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000484154644 996603792 /nfs/dbraw/zinc/60/37/92/996603792.db2.gz CRBPKSYLGANJTF-KSFYIVLOSA-N 2 2 406.473 3.584 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162274 996609605 /nfs/dbraw/zinc/60/96/05/996609605.db2.gz KBMKLGCPTROYJG-KNBMTAEXSA-N 2 2 408.464 3.961 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162274 996609610 /nfs/dbraw/zinc/60/96/10/996609610.db2.gz KBMKLGCPTROYJG-KNBMTAEXSA-N 2 2 408.464 3.961 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000476237670 996697133 /nfs/dbraw/zinc/69/71/33/996697133.db2.gz OSIHDLJOFOHSHY-HNNXBMFYSA-N 2 2 400.473 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000476237670 996697143 /nfs/dbraw/zinc/69/71/43/996697143.db2.gz OSIHDLJOFOHSHY-HNNXBMFYSA-N 2 2 400.473 3.650 20 0 HHADLP COCCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000484480811 996800359 /nfs/dbraw/zinc/80/03/59/996800359.db2.gz AALJPRDJEOJGGY-ROUUACIJSA-N 2 2 401.414 3.944 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484617920 996951796 /nfs/dbraw/zinc/95/17/96/996951796.db2.gz KWLXPVOLZSOURJ-ZFGGDYGUSA-N 2 2 409.574 3.806 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@H]2CCOC2)c1 ZINC000484617920 996951810 /nfs/dbraw/zinc/95/18/10/996951810.db2.gz KWLXPVOLZSOURJ-ZFGGDYGUSA-N 2 2 409.574 3.806 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924530 997299487 /nfs/dbraw/zinc/29/94/87/997299487.db2.gz IFFUDXIHLNZNBS-RPWUZVMVSA-N 2 2 407.558 3.785 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000484924530 997299495 /nfs/dbraw/zinc/29/94/95/997299495.db2.gz IFFUDXIHLNZNBS-RPWUZVMVSA-N 2 2 407.558 3.785 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000476814992 997371006 /nfs/dbraw/zinc/37/10/06/997371006.db2.gz ACMHQKUSDRGYPB-CQSZACIVSA-N 2 2 402.366 3.799 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000476817382 997375546 /nfs/dbraw/zinc/37/55/46/997375546.db2.gz GBGXETXFONMLTC-AWEZNQCLSA-N 2 2 402.366 3.799 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000476889197 997483442 /nfs/dbraw/zinc/48/34/42/997483442.db2.gz QZEYUPCMLWOYLS-QHCPKHFHSA-N 2 2 403.530 3.582 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000476889197 997483450 /nfs/dbraw/zinc/48/34/50/997483450.db2.gz QZEYUPCMLWOYLS-QHCPKHFHSA-N 2 2 403.530 3.582 20 0 HHADLP CC[C@@H](CN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000476954616 997570860 /nfs/dbraw/zinc/57/08/60/997570860.db2.gz RUCNEJSOMFEHBH-FQEVSTJZSA-N 2 2 400.611 3.770 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000485199943 997575415 /nfs/dbraw/zinc/57/54/15/997575415.db2.gz UAIOXCAQDQFQAD-JTSKRJEESA-N 2 2 409.509 3.810 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980647 997600230 /nfs/dbraw/zinc/60/02/30/997600230.db2.gz MMAHYYJKBGCYSN-COPCDDAFSA-N 2 2 415.940 3.863 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980647 997600237 /nfs/dbraw/zinc/60/02/37/997600237.db2.gz MMAHYYJKBGCYSN-COPCDDAFSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980647 997600248 /nfs/dbraw/zinc/60/02/48/997600248.db2.gz MMAHYYJKBGCYSN-COPCDDAFSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476980647 997600261 /nfs/dbraw/zinc/60/02/61/997600261.db2.gz MMAHYYJKBGCYSN-COPCDDAFSA-N 2 2 415.940 3.863 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(Cc3cccc(F)c3)CCC2)([NH+]2CCCCC2)CC1 ZINC000477013607 997647262 /nfs/dbraw/zinc/64/72/62/997647262.db2.gz SYAMQHVQGDBVGU-UHFFFAOYSA-N 2 2 401.570 3.605 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000485295431 997700068 /nfs/dbraw/zinc/70/00/68/997700068.db2.gz YENNOPWXCNLGCM-HXUWFJFHSA-N 2 2 409.578 3.570 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000485311084 997720656 /nfs/dbraw/zinc/72/06/56/997720656.db2.gz WSZQPDRNZZVFQU-NSISKUIASA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@H]21 ZINC000485311084 997720669 /nfs/dbraw/zinc/72/06/69/997720669.db2.gz WSZQPDRNZZVFQU-NSISKUIASA-N 2 2 422.976 3.742 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000485484513 997936644 /nfs/dbraw/zinc/93/66/44/997936644.db2.gz ACWCOZMTMOFQGK-QHCPKHFHSA-N 2 2 423.605 3.960 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000485501922 997957789 /nfs/dbraw/zinc/95/77/89/997957789.db2.gz GQAKOFPUANWRKT-QHCPKHFHSA-N 2 2 423.605 3.960 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000485839594 998305778 /nfs/dbraw/zinc/30/57/78/998305778.db2.gz BPZRCZZARHDGHZ-GOSISDBHSA-N 2 2 408.571 3.600 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000485973968 998416231 /nfs/dbraw/zinc/41/62/31/998416231.db2.gz DZUVBNLNIQKBLT-PZJWPPBQSA-N 2 2 401.530 3.905 20 0 HHADLP Cc1cc(Br)cc(Cl)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000477713584 998436260 /nfs/dbraw/zinc/43/62/60/998436260.db2.gz UUFHQQROUKASLD-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP Cc1cc(Br)cc(Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477713584 998436267 /nfs/dbraw/zinc/43/62/67/998436267.db2.gz UUFHQQROUKASLD-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486273090 998690007 /nfs/dbraw/zinc/69/00/07/998690007.db2.gz CJOIDYAHZCEDSM-RXVVDRJESA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486273090 998690008 /nfs/dbraw/zinc/69/00/08/998690008.db2.gz CJOIDYAHZCEDSM-RXVVDRJESA-N 2 2 421.520 3.721 20 0 HHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000486281540 998694035 /nfs/dbraw/zinc/69/40/35/998694035.db2.gz IOQXDNQSSYOFCG-IBGZPJMESA-N 2 2 403.929 3.935 20 0 HHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000486281540 998694036 /nfs/dbraw/zinc/69/40/36/998694036.db2.gz IOQXDNQSSYOFCG-IBGZPJMESA-N 2 2 403.929 3.935 20 0 HHADLP Cc1cc(Br)cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000486342340 998720096 /nfs/dbraw/zinc/72/00/96/998720096.db2.gz KGLBPSDSUDONDI-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048038 998734712 /nfs/dbraw/zinc/73/47/12/998734712.db2.gz PTBURBLTLOFVLG-MTNREXPMSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048038 998734717 /nfs/dbraw/zinc/73/47/17/998734717.db2.gz PTBURBLTLOFVLG-MTNREXPMSA-N 2 2 403.615 3.572 20 0 HHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000478055445 998739634 /nfs/dbraw/zinc/73/96/34/998739634.db2.gz UWQIUCAUIKRGHI-OAQYLSRUSA-N 2 2 401.938 3.538 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000478204879 998821337 /nfs/dbraw/zinc/82/13/37/998821337.db2.gz ZNHFESSIUVVNGV-CVDCTZTESA-N 2 2 409.578 3.871 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486816144 998952632 /nfs/dbraw/zinc/95/26/32/998952632.db2.gz BDZZYUBHMVIRDV-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486816144 998952635 /nfs/dbraw/zinc/95/26/35/998952635.db2.gz BDZZYUBHMVIRDV-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905202 999000218 /nfs/dbraw/zinc/00/02/18/999000218.db2.gz DQVWKPNIXRWQKQ-YADHBBJMSA-N 2 2 418.557 3.829 20 0 HHADLP CC(=O)c1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486905202 999000222 /nfs/dbraw/zinc/00/02/22/999000222.db2.gz DQVWKPNIXRWQKQ-YADHBBJMSA-N 2 2 418.557 3.829 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000487282103 999123327 /nfs/dbraw/zinc/12/33/27/999123327.db2.gz OGOMKEYXRGJHGC-PMACEKPBSA-N 2 2 423.557 3.683 20 0 HHADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000487653410 999243035 /nfs/dbraw/zinc/24/30/35/999243035.db2.gz PDVAPANTJASIJX-UHFFFAOYSA-N 2 2 423.483 3.598 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000488006014 999345481 /nfs/dbraw/zinc/34/54/81/999345481.db2.gz LAVADWJNSREJIP-MRXNPFEDSA-N 2 2 406.537 3.603 20 0 HHADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479475970 999433060 /nfs/dbraw/zinc/43/30/60/999433060.db2.gz ALWPBHZESIYHBV-VUZGARFFSA-N 2 2 411.512 3.821 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000479898990 999641135 /nfs/dbraw/zinc/64/11/35/999641135.db2.gz HWIAWTMCZZAHMA-KRWDZBQOSA-N 2 2 411.937 3.604 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126956 999707094 /nfs/dbraw/zinc/70/70/94/999707094.db2.gz JFAMERWVFOYBPO-SFTDATJTSA-N 2 2 407.986 3.758 20 0 HHADLP COc1cc(Cl)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000489126956 999707097 /nfs/dbraw/zinc/70/70/97/999707097.db2.gz JFAMERWVFOYBPO-SFTDATJTSA-N 2 2 407.986 3.758 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489132151 999708441 /nfs/dbraw/zinc/70/84/41/999708441.db2.gz ULBKJWJJSFYOIC-GOTSBHOMSA-N 2 2 411.590 3.615 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489132151 999708442 /nfs/dbraw/zinc/70/84/42/999708442.db2.gz ULBKJWJJSFYOIC-GOTSBHOMSA-N 2 2 411.590 3.615 20 0 HHADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489226824 999726301 /nfs/dbraw/zinc/72/63/01/999726301.db2.gz SDKWNDDIZHOHPY-QHCPKHFHSA-N 2 2 400.611 3.940 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000489366419 999752698 /nfs/dbraw/zinc/75/26/98/999752698.db2.gz UOFWTLDZUITWCS-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000489366419 999752699 /nfs/dbraw/zinc/75/26/99/999752699.db2.gz UOFWTLDZUITWCS-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753956 /nfs/dbraw/zinc/75/39/56/999753956.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753958 /nfs/dbraw/zinc/75/39/58/999753958.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753960 /nfs/dbraw/zinc/75/39/60/999753960.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 3 2 422.617 3.691 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000480239907 999753961 /nfs/dbraw/zinc/75/39/61/999753961.db2.gz GNSZAIYQVTXCER-BTKWVRSESA-N 3 2 422.617 3.691 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000489396105 999758281 /nfs/dbraw/zinc/75/82/81/999758281.db2.gz UFLFDYBMMLHSJZ-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3ccccc3C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000489396105 999758283 /nfs/dbraw/zinc/75/82/83/999758283.db2.gz UFLFDYBMMLHSJZ-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3ccccc3C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396105 999758284 /nfs/dbraw/zinc/75/82/84/999758284.db2.gz UFLFDYBMMLHSJZ-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3ccccc3C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000489396105 999758285 /nfs/dbraw/zinc/75/82/85/999758285.db2.gz UFLFDYBMMLHSJZ-FATVKVNYSA-N 4 2 410.650 3.519 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000480263444 999758817 /nfs/dbraw/zinc/75/88/17/999758817.db2.gz ZFZMUHSLMMVZIA-FGZHOGPDSA-N 2 2 420.548 3.664 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000480263444 999758821 /nfs/dbraw/zinc/75/88/21/999758821.db2.gz ZFZMUHSLMMVZIA-FGZHOGPDSA-N 2 2 420.548 3.664 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)c3)CC[C@H]21 ZINC000489399814 999759107 /nfs/dbraw/zinc/75/91/07/999759107.db2.gz ZCOMPNXOGDIYQB-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)c3)CC[C@H]21 ZINC000489399814 999759109 /nfs/dbraw/zinc/75/91/09/999759109.db2.gz ZCOMPNXOGDIYQB-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399814 999759111 /nfs/dbraw/zinc/75/91/11/999759111.db2.gz ZCOMPNXOGDIYQB-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399814 999759113 /nfs/dbraw/zinc/75/91/13/999759113.db2.gz ZCOMPNXOGDIYQB-XDZVQPMWSA-N 4 2 410.650 3.519 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000489457131 999771443 /nfs/dbraw/zinc/77/14/43/999771443.db2.gz NLVYXZWIAQHAAF-GOSISDBHSA-N 2 2 423.561 3.606 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000489457131 999771444 /nfs/dbraw/zinc/77/14/44/999771444.db2.gz NLVYXZWIAQHAAF-GOSISDBHSA-N 2 2 423.561 3.606 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000489457133 999771505 /nfs/dbraw/zinc/77/15/05/999771505.db2.gz NLVYXZWIAQHAAF-SFHVURJKSA-N 2 2 423.561 3.606 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000489457133 999771507 /nfs/dbraw/zinc/77/15/07/999771507.db2.gz NLVYXZWIAQHAAF-SFHVURJKSA-N 2 2 423.561 3.606 20 0 HHADLP COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2nccn2C)cc1 ZINC000480345336 999776341 /nfs/dbraw/zinc/77/63/41/999776341.db2.gz ZEYASJMTCDMNTQ-MBSDFSHPSA-N 2 2 408.546 3.809 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495072 999778158 /nfs/dbraw/zinc/77/81/58/999778158.db2.gz WBVDHFMPRASUTD-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495072 999778160 /nfs/dbraw/zinc/77/81/60/999778160.db2.gz WBVDHFMPRASUTD-YWZLYKJASA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000489557550 999791778 /nfs/dbraw/zinc/79/17/78/999791778.db2.gz MWHGGDJINVWPEA-RDTXWAMCSA-N 2 2 407.327 3.658 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000489557550 999791779 /nfs/dbraw/zinc/79/17/79/999791779.db2.gz MWHGGDJINVWPEA-RDTXWAMCSA-N 2 2 407.327 3.658 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602188 999837935 /nfs/dbraw/zinc/83/79/35/999837935.db2.gz AKPKCGNXOXNCBG-OFAXGOBFSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602188 999837938 /nfs/dbraw/zinc/83/79/38/999837938.db2.gz AKPKCGNXOXNCBG-OFAXGOBFSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602189 999838269 /nfs/dbraw/zinc/83/82/69/999838269.db2.gz AKPKCGNXOXNCBG-TZYHBYERSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602189 999838270 /nfs/dbraw/zinc/83/82/70/999838270.db2.gz AKPKCGNXOXNCBG-TZYHBYERSA-N 2 2 419.635 3.965 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000480618931 999842632 /nfs/dbraw/zinc/84/26/32/999842632.db2.gz PVUQDPHWEBLAIN-DFBJGRDBSA-N 2 2 403.574 3.927 20 0 HHADLP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)n1 ZINC000480618931 999842635 /nfs/dbraw/zinc/84/26/35/999842635.db2.gz PVUQDPHWEBLAIN-DFBJGRDBSA-N 2 2 403.574 3.927 20 0 HHADLP COc1ccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000490171916 999904481 /nfs/dbraw/zinc/90/44/81/999904481.db2.gz JOYOKLYSVNDMJO-XMMPIXPASA-N 2 2 420.532 3.860 20 0 HHADLP Cc1nc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676735 999992174 /nfs/dbraw/zinc/99/21/74/999992174.db2.gz XDKYUGCBGVJNHK-UZLBHIALSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1nc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676735 999992177 /nfs/dbraw/zinc/99/21/77/999992177.db2.gz XDKYUGCBGVJNHK-UZLBHIALSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)cn2c1 ZINC000490887999 1000019888 /nfs/dbraw/zinc/01/98/88/1000019888.db2.gz XSYNFQGLCIDWKY-NRFANRHFSA-N 2 2 422.598 3.557 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cn2c1 ZINC000490887999 1000019891 /nfs/dbraw/zinc/01/98/91/1000019891.db2.gz XSYNFQGLCIDWKY-NRFANRHFSA-N 2 2 422.598 3.557 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491024202 1000035195 /nfs/dbraw/zinc/03/51/95/1000035195.db2.gz SGZUJKUQZQQNOW-UZUQRXQVSA-N 2 2 417.981 3.672 20 0 HHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058941 1000040729 /nfs/dbraw/zinc/04/07/29/1000040729.db2.gz JBNOVLXQRRJVRV-RPBOFIJWSA-N 2 2 409.574 3.779 20 0 HHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058941 1000040731 /nfs/dbraw/zinc/04/07/31/1000040731.db2.gz JBNOVLXQRRJVRV-RPBOFIJWSA-N 2 2 409.574 3.779 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)CC1 ZINC000492142624 1000111395 /nfs/dbraw/zinc/11/13/95/1000111395.db2.gz KVUXYAPARJVQGI-UHFFFAOYSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000492144328 1000111597 /nfs/dbraw/zinc/11/15/97/1000111597.db2.gz OOPICNXZNSTVBK-TZIWHRDSSA-N 2 2 418.545 3.749 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@H+]1Cc1ccccc1 ZINC000492144328 1000111599 /nfs/dbraw/zinc/11/15/99/1000111599.db2.gz OOPICNXZNSTVBK-TZIWHRDSSA-N 2 2 418.545 3.749 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492162078 1000112631 /nfs/dbraw/zinc/11/26/31/1000112631.db2.gz UHWVSFKXVMQXFE-UHFFFAOYSA-N 2 2 412.925 3.576 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000504524142 1000250286 /nfs/dbraw/zinc/25/02/86/1000250286.db2.gz BBLIWNPMXBQAFG-HXUWFJFHSA-N 2 2 417.985 3.798 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000504890083 1000431166 /nfs/dbraw/zinc/43/11/66/1000431166.db2.gz SZDOMZBBCNOMCD-HTAPYJJXSA-N 2 2 414.981 3.689 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000504890083 1000431170 /nfs/dbraw/zinc/43/11/70/1000431170.db2.gz SZDOMZBBCNOMCD-HTAPYJJXSA-N 2 2 414.981 3.689 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494436142 1000490704 /nfs/dbraw/zinc/49/07/04/1000490704.db2.gz PICYPFPROGFZGN-AKIFATBCSA-N 2 2 407.562 3.675 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494436142 1000490712 /nfs/dbraw/zinc/49/07/12/1000490712.db2.gz PICYPFPROGFZGN-AKIFATBCSA-N 2 2 407.562 3.675 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505369799 1000728870 /nfs/dbraw/zinc/72/88/70/1000728870.db2.gz DFVQBIGWDLDHOS-OTWHNJEPSA-N 2 2 408.384 3.575 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999234 1000770821 /nfs/dbraw/zinc/77/08/21/1000770821.db2.gz OBRCFTWYKJRCBF-UWJYYQICSA-N 2 2 406.530 3.798 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000494999234 1000770825 /nfs/dbraw/zinc/77/08/25/1000770825.db2.gz OBRCFTWYKJRCBF-UWJYYQICSA-N 2 2 406.530 3.798 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000495626611 1001055103 /nfs/dbraw/zinc/05/51/03/1001055103.db2.gz UKPQPTLCLQZOIM-INIZCTEOSA-N 2 2 405.464 3.944 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000506004511 1001156189 /nfs/dbraw/zinc/15/61/89/1001156189.db2.gz AZBMJIRTTMAWPL-DYESRHJHSA-N 2 2 412.965 3.588 20 0 HHADLP Cc1cc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)ccc1F ZINC000506009431 1001159667 /nfs/dbraw/zinc/15/96/67/1001159667.db2.gz VPJDRCAZPCZKOA-UHFFFAOYSA-N 2 2 402.514 3.509 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4ccccc4c3C(F)(F)F)CC2)CC1 ZINC000497437395 1001364428 /nfs/dbraw/zinc/36/44/28/1001364428.db2.gz JNXNVFRJTTXJOV-UHFFFAOYSA-N 2 2 420.479 3.542 20 0 HHADLP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000506363542 1001378642 /nfs/dbraw/zinc/37/86/42/1001378642.db2.gz OKSFGQMDJWDLTR-BGYRXZFFSA-N 2 2 404.599 3.878 20 0 HHADLP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000506363542 1001378647 /nfs/dbraw/zinc/37/86/47/1001378647.db2.gz OKSFGQMDJWDLTR-BGYRXZFFSA-N 2 2 404.599 3.878 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472703 1001428163 /nfs/dbraw/zinc/42/81/63/1001428163.db2.gz GPDFSVYTIRTLPS-ZJOUEHCJSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472703 1001428166 /nfs/dbraw/zinc/42/81/66/1001428166.db2.gz GPDFSVYTIRTLPS-ZJOUEHCJSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472703 1001428169 /nfs/dbraw/zinc/42/81/69/1001428169.db2.gz GPDFSVYTIRTLPS-ZJOUEHCJSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000506472703 1001428173 /nfs/dbraw/zinc/42/81/73/1001428173.db2.gz GPDFSVYTIRTLPS-ZJOUEHCJSA-N 2 2 419.585 3.768 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000497625259 1001463602 /nfs/dbraw/zinc/46/36/02/1001463602.db2.gz YQMPZNOMLHDVMU-QHCPKHFHSA-N 2 2 421.545 3.762 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000497810268 1001520543 /nfs/dbraw/zinc/52/05/43/1001520543.db2.gz VBFFZAQVEKEUCY-UHFFFAOYSA-N 2 2 422.573 3.946 20 0 HHADLP CC(C)[C@@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000497833579 1001529348 /nfs/dbraw/zinc/52/93/48/1001529348.db2.gz WCZQJGXEUTWISZ-CTNGQTDRSA-N 2 2 420.395 3.993 20 0 HHADLP CC(C)[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000497833581 1001529465 /nfs/dbraw/zinc/52/94/65/1001529465.db2.gz WCZQJGXEUTWISZ-PZJWPPBQSA-N 2 2 420.395 3.993 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000498134279 1001656563 /nfs/dbraw/zinc/65/65/63/1001656563.db2.gz DUSPISIFBQXELH-XXBNENTESA-N 2 2 409.578 3.658 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000507125698 1001823632 /nfs/dbraw/zinc/82/36/32/1001823632.db2.gz IGPIWIGEQXANRQ-FQEVSTJZSA-N 2 2 401.599 3.621 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000507204839 1001892671 /nfs/dbraw/zinc/89/26/71/1001892671.db2.gz LNKZXFCKRJBIOJ-GOSISDBHSA-N 2 2 413.541 3.509 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1F ZINC000507204840 1001892970 /nfs/dbraw/zinc/89/29/70/1001892970.db2.gz LNKZXFCKRJBIOJ-SFHVURJKSA-N 2 2 413.541 3.509 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507272854 1001956415 /nfs/dbraw/zinc/95/64/15/1001956415.db2.gz HDONMZQQIIVCIJ-NRFANRHFSA-N 2 2 409.578 3.760 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507272854 1001956426 /nfs/dbraw/zinc/95/64/26/1001956426.db2.gz HDONMZQQIIVCIJ-NRFANRHFSA-N 2 2 409.578 3.760 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000507493258 1002106526 /nfs/dbraw/zinc/10/65/26/1002106526.db2.gz SVVFQCYBQPAJRV-YMPZKCBVSA-N 2 2 406.574 3.743 20 0 HHADLP COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)c1 ZINC000507503538 1002116736 /nfs/dbraw/zinc/11/67/36/1002116736.db2.gz AFPRFAXAVUTRJN-MRXNPFEDSA-N 2 2 415.500 3.537 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)[nH+]c2)CC1 ZINC000507510147 1002120200 /nfs/dbraw/zinc/12/02/00/1002120200.db2.gz MFAJLEHCUPPQCO-NQHRYMMQSA-N 3 2 419.617 3.935 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)[nH+]c2)CC1 ZINC000507510147 1002120216 /nfs/dbraw/zinc/12/02/16/1002120216.db2.gz MFAJLEHCUPPQCO-NQHRYMMQSA-N 3 2 419.617 3.935 20 0 HHADLP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507522422 1002131648 /nfs/dbraw/zinc/13/16/48/1002131648.db2.gz GNDXMXTYDTVUJK-UHFFFAOYSA-N 2 2 421.891 3.992 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499057039 1002439393 /nfs/dbraw/zinc/43/93/93/1002439393.db2.gz SPSDBBBKOKVQPN-UHFFFAOYSA-N 3 2 423.605 3.897 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499057039 1002439406 /nfs/dbraw/zinc/43/94/06/1002439406.db2.gz SPSDBBBKOKVQPN-UHFFFAOYSA-N 3 2 423.605 3.897 20 0 HHADLP Cc1[nH+]ccn1CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000499073243 1002458264 /nfs/dbraw/zinc/45/82/64/1002458264.db2.gz ZAMWKSMZWWSIGI-UHFFFAOYSA-N 2 2 404.558 3.615 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000499315629 1002722224 /nfs/dbraw/zinc/72/22/24/1002722224.db2.gz YHONBVGIPBSLCK-DVECYGJZSA-N 2 2 417.557 3.810 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000499315629 1002722233 /nfs/dbraw/zinc/72/22/33/1002722233.db2.gz YHONBVGIPBSLCK-DVECYGJZSA-N 2 2 417.557 3.810 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)cn2c1 ZINC000499370918 1002765939 /nfs/dbraw/zinc/76/59/39/1002765939.db2.gz VKLBDQCPGWVEOH-UHFFFAOYSA-N 2 2 414.550 3.605 20 0 HHADLP CC(C)c1ccc(C[C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000499482812 1002869688 /nfs/dbraw/zinc/86/96/88/1002869688.db2.gz FGFAOZFSLHGKOE-IBGZPJMESA-N 2 2 400.611 3.599 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508519985 1003000722 /nfs/dbraw/zinc/00/07/22/1003000722.db2.gz MXYSXUNEYPLSLA-GFCCVEGCSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508519985 1003000744 /nfs/dbraw/zinc/00/07/44/1003000744.db2.gz MXYSXUNEYPLSLA-GFCCVEGCSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508519985 1003000732 /nfs/dbraw/zinc/00/07/32/1003000732.db2.gz MXYSXUNEYPLSLA-GFCCVEGCSA-N 2 2 420.189 3.994 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508519985 1003000753 /nfs/dbraw/zinc/00/07/53/1003000753.db2.gz MXYSXUNEYPLSLA-GFCCVEGCSA-N 2 2 420.189 3.994 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccccc1Cl ZINC000508603011 1003058382 /nfs/dbraw/zinc/05/83/82/1003058382.db2.gz GLISUROOSFFOQC-OAQYLSRUSA-N 2 2 418.006 3.922 20 0 HHADLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000508619211 1003072807 /nfs/dbraw/zinc/07/28/07/1003072807.db2.gz LWYGIASYTNDEHA-INIZCTEOSA-N 2 2 405.340 3.605 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508877421 1003297193 /nfs/dbraw/zinc/29/71/93/1003297193.db2.gz YBFZTVSQXMIJBL-WAOWUJCRSA-N 2 2 400.592 3.828 20 0 HHADLP COc1ccccc1COC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509006083 1003477724 /nfs/dbraw/zinc/47/77/24/1003477724.db2.gz IOJRRVYTMGALKC-UHFFFAOYSA-N 2 2 423.601 3.889 20 0 HHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000500449614 1003725927 /nfs/dbraw/zinc/72/59/27/1003725927.db2.gz WCNFFHFFOARXGY-UHFFFAOYSA-N 2 2 403.954 3.659 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511825689 1003795548 /nfs/dbraw/zinc/79/55/48/1003795548.db2.gz VVCWAJRYQYECKI-OALUTQOASA-N 2 2 407.921 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511825689 1003795557 /nfs/dbraw/zinc/79/55/57/1003795557.db2.gz VVCWAJRYQYECKI-OALUTQOASA-N 2 2 407.921 3.509 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000512006254 1003948750 /nfs/dbraw/zinc/94/87/50/1003948750.db2.gz GQUKEFSOUGFDQX-HNNXBMFYSA-N 2 2 419.570 3.769 20 0 HHADLP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000512006254 1003948756 /nfs/dbraw/zinc/94/87/56/1003948756.db2.gz GQUKEFSOUGFDQX-HNNXBMFYSA-N 2 2 419.570 3.769 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)s1 ZINC000512007170 1003949628 /nfs/dbraw/zinc/94/96/28/1003949628.db2.gz MIDPREPXFMWTHL-GFCCVEGCSA-N 2 2 419.904 3.640 20 0 HHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000512053276 1003984673 /nfs/dbraw/zinc/98/46/73/1003984673.db2.gz QFATXBZYIIJTAK-CYBMUJFWSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000509759676 1004076412 /nfs/dbraw/zinc/07/64/12/1004076412.db2.gz CWGQIZSLXLLZPO-RBBKRZOGSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000509759676 1004076421 /nfs/dbraw/zinc/07/64/21/1004076421.db2.gz CWGQIZSLXLLZPO-RBBKRZOGSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509772476 1004085626 /nfs/dbraw/zinc/08/56/26/1004085626.db2.gz AUXJZKOOQCIJNA-NZQKXSOJSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000509772476 1004085632 /nfs/dbraw/zinc/08/56/32/1004085632.db2.gz AUXJZKOOQCIJNA-NZQKXSOJSA-N 2 2 417.557 3.972 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509780287 1004091805 /nfs/dbraw/zinc/09/18/05/1004091805.db2.gz ZXWYMSIDAUJNDK-JOCHJYFZSA-N 2 2 407.562 3.536 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509786502 1004095933 /nfs/dbraw/zinc/09/59/33/1004095933.db2.gz DIWKLHPGWYRZCR-JOCHJYFZSA-N 2 2 407.562 3.536 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238305 1004140635 /nfs/dbraw/zinc/14/06/35/1004140635.db2.gz ZYNRMGYWNYPUJG-NLFFAJNJSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238305 1004140640 /nfs/dbraw/zinc/14/06/40/1004140640.db2.gz ZYNRMGYWNYPUJG-NLFFAJNJSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512238305 1004140646 /nfs/dbraw/zinc/14/06/46/1004140646.db2.gz ZYNRMGYWNYPUJG-NLFFAJNJSA-N 2 2 409.549 3.771 20 0 HHADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512238305 1004140648 /nfs/dbraw/zinc/14/06/48/1004140648.db2.gz ZYNRMGYWNYPUJG-NLFFAJNJSA-N 2 2 409.549 3.771 20 0 HHADLP O=C(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244407 1004146983 /nfs/dbraw/zinc/14/69/83/1004146983.db2.gz NSASEAGOJKMRAC-VWLOTQADSA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244407 1004146987 /nfs/dbraw/zinc/14/69/87/1004146987.db2.gz NSASEAGOJKMRAC-VWLOTQADSA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244407 1004146992 /nfs/dbraw/zinc/14/69/92/1004146992.db2.gz NSASEAGOJKMRAC-VWLOTQADSA-N 2 2 406.526 3.629 20 0 HHADLP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc2c(c1)OCCO2 ZINC000512244407 1004146998 /nfs/dbraw/zinc/14/69/98/1004146998.db2.gz NSASEAGOJKMRAC-VWLOTQADSA-N 2 2 406.526 3.629 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccco1 ZINC000501056403 1004158600 /nfs/dbraw/zinc/15/86/00/1004158600.db2.gz TXAIPZFCYHSFMT-MSOLQXFVSA-N 2 2 422.932 3.811 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000509908555 1004200944 /nfs/dbraw/zinc/20/09/44/1004200944.db2.gz IJDHDEYWUNBMSW-BDWAOYLISA-N 2 2 422.013 3.856 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000509908555 1004200951 /nfs/dbraw/zinc/20/09/51/1004200951.db2.gz IJDHDEYWUNBMSW-BDWAOYLISA-N 2 2 422.013 3.856 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000512424993 1004290898 /nfs/dbraw/zinc/29/08/98/1004290898.db2.gz WDBLOMWAYAKSTN-KSEOMHKRSA-N 2 2 407.562 3.527 20 0 HHADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000512424993 1004290909 /nfs/dbraw/zinc/29/09/09/1004290909.db2.gz WDBLOMWAYAKSTN-KSEOMHKRSA-N 2 2 407.562 3.527 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000512430894 1004297461 /nfs/dbraw/zinc/29/74/61/1004297461.db2.gz VPCVRFJPOSVRSL-TZIWHRDSSA-N 2 2 407.562 3.623 20 0 HHADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000510331085 1004487013 /nfs/dbraw/zinc/48/70/13/1004487013.db2.gz IUJFRUZBPYZIHF-IBGZPJMESA-N 2 2 422.976 3.886 20 0 HHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000512705439 1004507005 /nfs/dbraw/zinc/50/70/05/1004507005.db2.gz JYBNYYSJPDLSEU-NHCUHLMSSA-N 2 2 409.622 3.539 20 0 HHADLP COc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000512898832 1004666342 /nfs/dbraw/zinc/66/63/42/1004666342.db2.gz KSEMCVDBOOZOPH-FRIKZZABSA-N 2 2 407.558 3.535 20 0 HHADLP COc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000512898832 1004666359 /nfs/dbraw/zinc/66/63/59/1004666359.db2.gz KSEMCVDBOOZOPH-FRIKZZABSA-N 2 2 407.558 3.535 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501822541 1004758830 /nfs/dbraw/zinc/75/88/30/1004758830.db2.gz CQMZABWCCGVXRR-QFIPXVFZSA-N 2 2 407.562 3.708 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627755 1004763209 /nfs/dbraw/zinc/76/32/09/1004763209.db2.gz FQVWQJNLGBIGJR-VOBQZIQPSA-N 2 2 408.949 3.564 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627755 1004763212 /nfs/dbraw/zinc/76/32/12/1004763212.db2.gz FQVWQJNLGBIGJR-VOBQZIQPSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627755 1004763216 /nfs/dbraw/zinc/76/32/16/1004763216.db2.gz FQVWQJNLGBIGJR-VOBQZIQPSA-N 2 2 408.949 3.564 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000510627755 1004763220 /nfs/dbraw/zinc/76/32/20/1004763220.db2.gz FQVWQJNLGBIGJR-VOBQZIQPSA-N 2 2 408.949 3.564 20 0 HHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000510642295 1004773407 /nfs/dbraw/zinc/77/34/07/1004773407.db2.gz AACALAZHSSKRRP-SFHVURJKSA-N 2 2 405.420 3.763 20 0 HHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000510642295 1004773417 /nfs/dbraw/zinc/77/34/17/1004773417.db2.gz AACALAZHSSKRRP-SFHVURJKSA-N 2 2 405.420 3.763 20 0 HHADLP Brc1ccc(N2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000513049682 1004778816 /nfs/dbraw/zinc/77/88/16/1004778816.db2.gz APQWHRNVAVKPCS-SFHVURJKSA-N 2 2 401.352 3.681 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C3CCN(c4nccs4)CC3)CC2)c1 ZINC000513203560 1004859415 /nfs/dbraw/zinc/85/94/15/1004859415.db2.gz FZYXEAUWYBAFCI-UHFFFAOYSA-N 2 2 420.026 3.567 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000510880817 1004907772 /nfs/dbraw/zinc/90/77/72/1004907772.db2.gz LJALWYTYTUXSHM-QZTJIDSGSA-N 2 2 418.548 3.698 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000510880817 1004907773 /nfs/dbraw/zinc/90/77/73/1004907773.db2.gz LJALWYTYTUXSHM-QZTJIDSGSA-N 2 2 418.548 3.698 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510881813 1004908830 /nfs/dbraw/zinc/90/88/30/1004908830.db2.gz XUUHACHPSGRHBM-QFIPXVFZSA-N 2 2 421.589 3.782 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000510881813 1004908836 /nfs/dbraw/zinc/90/88/36/1004908836.db2.gz XUUHACHPSGRHBM-QFIPXVFZSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510938535 1004944492 /nfs/dbraw/zinc/94/44/92/1004944492.db2.gz VYONIFCUMWRMGH-FWGXRIOKSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510938535 1004944498 /nfs/dbraw/zinc/94/44/98/1004944498.db2.gz VYONIFCUMWRMGH-FWGXRIOKSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510938536 1004944584 /nfs/dbraw/zinc/94/45/84/1004944584.db2.gz VYONIFCUMWRMGH-IGBVOLGGSA-N 2 2 422.013 3.999 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483320 1004985685 /nfs/dbraw/zinc/98/56/85/1004985685.db2.gz CTGONCVUMMDXJI-UHFFFAOYSA-N 2 2 412.578 3.548 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513483320 1004985689 /nfs/dbraw/zinc/98/56/89/1004985689.db2.gz CTGONCVUMMDXJI-UHFFFAOYSA-N 2 2 412.578 3.548 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513503225 1004993636 /nfs/dbraw/zinc/99/36/36/1004993636.db2.gz NCSRIHUPLHLXOT-UHFFFAOYSA-N 2 2 421.585 3.784 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513503225 1004993644 /nfs/dbraw/zinc/99/36/44/1004993644.db2.gz NCSRIHUPLHLXOT-UHFFFAOYSA-N 2 2 421.585 3.784 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000511045662 1004995911 /nfs/dbraw/zinc/99/59/11/1004995911.db2.gz LBJSHQKXYHCTAE-UHFFFAOYSA-N 2 2 413.537 3.503 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000511045662 1004995913 /nfs/dbraw/zinc/99/59/13/1004995913.db2.gz LBJSHQKXYHCTAE-UHFFFAOYSA-N 2 2 413.537 3.503 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511048117 1004996821 /nfs/dbraw/zinc/99/68/21/1004996821.db2.gz XFDHZWYUYSURAU-MHJFOBGBSA-N 2 2 407.986 3.610 20 0 HHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511048117 1004996826 /nfs/dbraw/zinc/99/68/26/1004996826.db2.gz XFDHZWYUYSURAU-MHJFOBGBSA-N 2 2 407.986 3.610 20 0 HHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000502349120 1005027142 /nfs/dbraw/zinc/02/71/42/1005027142.db2.gz SCGMJANNYFOTER-QFIPXVFZSA-N 2 2 411.525 3.987 20 0 HHADLP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000502349120 1005027146 /nfs/dbraw/zinc/02/71/46/1005027146.db2.gz SCGMJANNYFOTER-QFIPXVFZSA-N 2 2 411.525 3.987 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513573386 1005030718 /nfs/dbraw/zinc/03/07/18/1005030718.db2.gz QHROJFBYUIIWRY-UHFFFAOYSA-N 2 2 422.548 3.875 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513573386 1005030724 /nfs/dbraw/zinc/03/07/24/1005030724.db2.gz QHROJFBYUIIWRY-UHFFFAOYSA-N 2 2 422.548 3.875 20 0 HHADLP CC(C)C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000511372532 1005144585 /nfs/dbraw/zinc/14/45/85/1005144585.db2.gz IUPNXSFEWKKVNX-KSEOMHKRSA-N 2 2 409.578 3.725 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000513988658 1005215616 /nfs/dbraw/zinc/21/56/16/1005215616.db2.gz BKLYDSISEJUPDT-JOCHJYFZSA-N 2 2 415.965 3.847 20 0 HHADLP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513988219 1005215723 /nfs/dbraw/zinc/21/57/23/1005215723.db2.gz VYJVMLATDZYBJW-QGZVFWFLSA-N 2 2 417.847 3.645 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514242251 1005329119 /nfs/dbraw/zinc/32/91/19/1005329119.db2.gz RBIXXHLYXFHAHN-OXQOHEQNSA-N 2 2 403.958 3.617 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503066192 1005335027 /nfs/dbraw/zinc/33/50/27/1005335027.db2.gz ZDQAYZMZMHEXND-AGILITTLSA-N 2 2 402.542 3.866 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503066192 1005335033 /nfs/dbraw/zinc/33/50/33/1005335033.db2.gz ZDQAYZMZMHEXND-AGILITTLSA-N 2 2 402.542 3.866 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000503073809 1005338618 /nfs/dbraw/zinc/33/86/18/1005338618.db2.gz IGHUIXBGLRWXCH-GOSISDBHSA-N 2 2 411.531 3.546 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000503073809 1005338622 /nfs/dbraw/zinc/33/86/22/1005338622.db2.gz IGHUIXBGLRWXCH-GOSISDBHSA-N 2 2 411.531 3.546 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073940 1005338976 /nfs/dbraw/zinc/33/89/76/1005338976.db2.gz IZIRHGNTHQIEQE-LPHOPBHVSA-N 2 2 423.542 3.719 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073940 1005338982 /nfs/dbraw/zinc/33/89/82/1005338982.db2.gz IZIRHGNTHQIEQE-LPHOPBHVSA-N 2 2 423.542 3.719 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074518 1005339167 /nfs/dbraw/zinc/33/91/67/1005339167.db2.gz LQTJOWVNXBPWDO-DHSIGJKJSA-N 2 2 405.340 3.864 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000503074518 1005339172 /nfs/dbraw/zinc/33/91/72/1005339172.db2.gz LQTJOWVNXBPWDO-DHSIGJKJSA-N 2 2 405.340 3.864 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076839 1005340313 /nfs/dbraw/zinc/34/03/13/1005340313.db2.gz ZLSFOZZLJABOIG-WZONZLPQSA-N 2 2 406.530 3.586 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076839 1005340318 /nfs/dbraw/zinc/34/03/18/1005340318.db2.gz ZLSFOZZLJABOIG-WZONZLPQSA-N 2 2 406.530 3.586 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503081004 1005342139 /nfs/dbraw/zinc/34/21/39/1005342139.db2.gz PJKCRVPQNLZRTG-GBXCKJPGSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503081004 1005342143 /nfs/dbraw/zinc/34/21/43/1005342143.db2.gz PJKCRVPQNLZRTG-GBXCKJPGSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503081009 1005342360 /nfs/dbraw/zinc/34/23/60/1005342360.db2.gz PJKCRVPQNLZRTG-YKSBVNFPSA-N 2 2 418.541 3.661 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503081009 1005342366 /nfs/dbraw/zinc/34/23/66/1005342366.db2.gz PJKCRVPQNLZRTG-YKSBVNFPSA-N 2 2 418.541 3.661 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000503087259 1005344183 /nfs/dbraw/zinc/34/41/83/1005344183.db2.gz OHWOXWIRKZKWOV-UHFFFAOYSA-N 2 2 408.550 3.635 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000503087259 1005344187 /nfs/dbraw/zinc/34/41/87/1005344187.db2.gz OHWOXWIRKZKWOV-UHFFFAOYSA-N 2 2 408.550 3.635 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000503098055 1005346889 /nfs/dbraw/zinc/34/68/89/1005346889.db2.gz XZAUNJCFXUVBBY-HKUYNNGSSA-N 2 2 410.518 3.836 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000503098055 1005346893 /nfs/dbraw/zinc/34/68/93/1005346893.db2.gz XZAUNJCFXUVBBY-HKUYNNGSSA-N 2 2 410.518 3.836 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144840 1005356540 /nfs/dbraw/zinc/35/65/40/1005356540.db2.gz ILSJHJKHSVSEAZ-RPWUZVMVSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144840 1005356542 /nfs/dbraw/zinc/35/65/42/1005356542.db2.gz ILSJHJKHSVSEAZ-RPWUZVMVSA-N 2 2 422.573 3.571 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503379684 1005403029 /nfs/dbraw/zinc/40/30/29/1005403029.db2.gz USZKZSHLQKXRAR-IBGZPJMESA-N 2 2 412.603 3.779 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503379684 1005403031 /nfs/dbraw/zinc/40/30/31/1005403031.db2.gz USZKZSHLQKXRAR-IBGZPJMESA-N 2 2 412.603 3.779 20 0 HHADLP O[C@@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405968 1005410303 /nfs/dbraw/zinc/41/03/03/1005410303.db2.gz ACIKGJVJONHSDJ-FUHWJXTLSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405968 1005410306 /nfs/dbraw/zinc/41/03/06/1005410306.db2.gz ACIKGJVJONHSDJ-FUHWJXTLSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405964 1005410423 /nfs/dbraw/zinc/41/04/23/1005410423.db2.gz ACIKGJVJONHSDJ-AEFFLSMTSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503405964 1005410426 /nfs/dbraw/zinc/41/04/26/1005410426.db2.gz ACIKGJVJONHSDJ-AEFFLSMTSA-N 2 2 423.479 3.858 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)C2)CC1 ZINC000503458135 1005426332 /nfs/dbraw/zinc/42/63/32/1005426332.db2.gz GCGONMVHMPCACD-HSZRJFAPSA-N 2 2 423.605 3.627 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000503466150 1005429088 /nfs/dbraw/zinc/42/90/88/1005429088.db2.gz RXWJMEDWIOKEKP-PMACEKPBSA-N 2 2 409.578 3.908 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000503489941 1005435289 /nfs/dbraw/zinc/43/52/89/1005435289.db2.gz QXCLRBDMCDFMTC-QHCPKHFHSA-N 2 2 418.541 3.764 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000503489941 1005435290 /nfs/dbraw/zinc/43/52/90/1005435290.db2.gz QXCLRBDMCDFMTC-QHCPKHFHSA-N 2 2 418.541 3.764 20 0 HHADLP Cc1ccc(-c2noc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)cc1 ZINC000531426635 1006187142 /nfs/dbraw/zinc/18/71/42/1006187142.db2.gz QZQQXNPTLTVQIS-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP Cc1ccc(-c2noc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)cc1 ZINC000531426635 1006187148 /nfs/dbraw/zinc/18/71/48/1006187148.db2.gz QZQQXNPTLTVQIS-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP C/C(=C\c1ccccc1OC(F)F)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000514895811 1006195285 /nfs/dbraw/zinc/19/52/85/1006195285.db2.gz DGWXUZDRDDVSNS-MNXCODBNSA-N 2 2 405.533 3.934 20 0 HHADLP C/C(=C\c1ccccc1OC(F)F)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000514895811 1006195290 /nfs/dbraw/zinc/19/52/90/1006195290.db2.gz DGWXUZDRDDVSNS-MNXCODBNSA-N 2 2 405.533 3.934 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357821 1006319332 /nfs/dbraw/zinc/31/93/32/1006319332.db2.gz AFGLDJWVCBZCIZ-VXKWHMMOSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357821 1006319341 /nfs/dbraw/zinc/31/93/41/1006319341.db2.gz AFGLDJWVCBZCIZ-VXKWHMMOSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357820 1006319631 /nfs/dbraw/zinc/31/96/31/1006319631.db2.gz AFGLDJWVCBZCIZ-FGZHOGPDSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357820 1006319645 /nfs/dbraw/zinc/31/96/45/1006319645.db2.gz AFGLDJWVCBZCIZ-FGZHOGPDSA-N 2 2 410.562 3.751 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358438 1006320483 /nfs/dbraw/zinc/32/04/83/1006320483.db2.gz KTXJZPUUZQOFKR-RPWUZVMVSA-N 2 2 424.589 3.653 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358438 1006320494 /nfs/dbraw/zinc/32/04/94/1006320494.db2.gz KTXJZPUUZQOFKR-RPWUZVMVSA-N 2 2 424.589 3.653 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358918 1006321474 /nfs/dbraw/zinc/32/14/74/1006321474.db2.gz QHSZPIAFKCBNTA-VQTJNVASSA-N 2 2 400.592 3.706 20 0 HHADLP CN(C(=O)c1cnc2ccsc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358918 1006321484 /nfs/dbraw/zinc/32/14/84/1006321484.db2.gz QHSZPIAFKCBNTA-VQTJNVASSA-N 2 2 400.592 3.706 20 0 HHADLP COc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358931 1006322429 /nfs/dbraw/zinc/32/24/29/1006322429.db2.gz PLSCHSGQINLBHN-GOTSBHOMSA-N 2 2 424.589 3.653 20 0 HHADLP COc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358931 1006322441 /nfs/dbraw/zinc/32/24/41/1006322441.db2.gz PLSCHSGQINLBHN-GOTSBHOMSA-N 2 2 424.589 3.653 20 0 HHADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000515232869 1006349577 /nfs/dbraw/zinc/34/95/77/1006349577.db2.gz FOIOXQHZAYUISC-UHFFFAOYSA-N 2 2 423.652 3.612 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382145 1006353241 /nfs/dbraw/zinc/35/32/41/1006353241.db2.gz OFGYZZKSYNAQQE-RTWAWAEBSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382145 1006353254 /nfs/dbraw/zinc/35/32/54/1006353254.db2.gz OFGYZZKSYNAQQE-RTWAWAEBSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382145 1006353266 /nfs/dbraw/zinc/35/32/66/1006353266.db2.gz OFGYZZKSYNAQQE-RTWAWAEBSA-N 2 2 424.992 3.986 20 0 HHADLP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534382145 1006353280 /nfs/dbraw/zinc/35/32/80/1006353280.db2.gz OFGYZZKSYNAQQE-RTWAWAEBSA-N 2 2 424.992 3.986 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382749 1006354225 /nfs/dbraw/zinc/35/42/25/1006354225.db2.gz BVAVJKBMICSQTF-YFXJRYMSSA-N 2 2 418.601 3.735 20 0 HHADLP C[C@H](Cc1ccccc1F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382749 1006354233 /nfs/dbraw/zinc/35/42/33/1006354233.db2.gz BVAVJKBMICSQTF-YFXJRYMSSA-N 2 2 418.601 3.735 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384538 1006356083 /nfs/dbraw/zinc/35/60/83/1006356083.db2.gz QGNWLKKSCNYTCM-ZTCOLXNVSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccccc1C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384538 1006356096 /nfs/dbraw/zinc/35/60/96/1006356096.db2.gz QGNWLKKSCNYTCM-ZTCOLXNVSA-N 2 2 414.638 3.905 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384916 1006357687 /nfs/dbraw/zinc/35/76/87/1006357687.db2.gz LVSVKYWGLUVBCT-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384916 1006357698 /nfs/dbraw/zinc/35/76/98/1006357698.db2.gz LVSVKYWGLUVBCT-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000531719684 1006377237 /nfs/dbraw/zinc/37/72/37/1006377237.db2.gz BDMDIQLKFNWYTN-HNNXBMFYSA-N 2 2 415.500 3.902 20 0 HHADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000531941038 1006533664 /nfs/dbraw/zinc/53/36/64/1006533664.db2.gz FZTFSZUCHOZKCC-QFIPXVFZSA-N 2 2 406.530 3.639 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983106 1006559233 /nfs/dbraw/zinc/55/92/33/1006559233.db2.gz QNJGQHVHGRMHDN-GGAORHGYSA-N 2 2 402.542 3.698 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983106 1006559244 /nfs/dbraw/zinc/55/92/44/1006559244.db2.gz QNJGQHVHGRMHDN-GGAORHGYSA-N 2 2 402.542 3.698 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CCC2 ZINC000531988204 1006562214 /nfs/dbraw/zinc/56/22/14/1006562214.db2.gz MXEDHMFFZYBFPV-DZGCQCFKSA-N 2 2 410.440 3.974 20 0 HHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000532015467 1006577126 /nfs/dbraw/zinc/57/71/26/1006577126.db2.gz MTPHISISFDMYQO-HOTGVXAUSA-N 2 2 419.310 3.518 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325133 1006591634 /nfs/dbraw/zinc/59/16/34/1006591634.db2.gz OOOZCJKJTHKLDP-YADHBBJMSA-N 2 2 418.630 3.648 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000538325133 1006591648 /nfs/dbraw/zinc/59/16/48/1006591648.db2.gz OOOZCJKJTHKLDP-YADHBBJMSA-N 2 2 418.630 3.648 20 0 HHADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000532193332 1006710290 /nfs/dbraw/zinc/71/02/90/1006710290.db2.gz HVCCMVCKIPFQFZ-AWEZNQCLSA-N 2 2 405.340 3.531 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000532200839 1006716822 /nfs/dbraw/zinc/71/68/22/1006716822.db2.gz FHRYLWWOAVAXKN-UHFFFAOYSA-N 3 2 407.606 3.551 20 0 HHADLP COc1ccc([C@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+]2CCCCC2)cc1 ZINC000532203829 1006718642 /nfs/dbraw/zinc/71/86/42/1006718642.db2.gz SAONENHXCJDMHP-VWLOTQADSA-N 2 2 408.590 3.871 20 0 HHADLP COc1ccc([C@@H](CNC2CC[NH+](Cc3ccncc3)CC2)[NH+]2CCCCC2)cc1 ZINC000532203828 1006718816 /nfs/dbraw/zinc/71/88/16/1006718816.db2.gz SAONENHXCJDMHP-RUZDIDTESA-N 2 2 408.590 3.871 20 0 HHADLP COc1ccc2cc([C@@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000532219850 1006730132 /nfs/dbraw/zinc/73/01/32/1006730132.db2.gz UAYZZGYLJGCRCR-LJQANCHMSA-N 2 2 418.541 3.633 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479675 1006748632 /nfs/dbraw/zinc/74/86/32/1006748632.db2.gz JTDRZMSSHZEGGM-MOPGFXCFSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479675 1006748644 /nfs/dbraw/zinc/74/86/44/1006748644.db2.gz JTDRZMSSHZEGGM-MOPGFXCFSA-N 2 2 407.628 3.897 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534792341 1006796127 /nfs/dbraw/zinc/79/61/27/1006796127.db2.gz QTUXXENCZFOICW-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000534792341 1006796140 /nfs/dbraw/zinc/79/61/40/1006796140.db2.gz QTUXXENCZFOICW-VXKWHMMOSA-N 2 2 423.948 3.829 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CCC2 ZINC000532537008 1006971729 /nfs/dbraw/zinc/97/17/29/1006971729.db2.gz BCZCZQDWZBZAAG-ZFWWWQNUSA-N 2 2 405.340 3.838 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538723169 1006999157 /nfs/dbraw/zinc/99/91/57/1006999157.db2.gz NKZGNZQYCJXDQR-MZKRTTBSSA-N 2 2 404.618 3.766 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000538723169 1006999168 /nfs/dbraw/zinc/99/91/68/1006999168.db2.gz NKZGNZQYCJXDQR-MZKRTTBSSA-N 2 2 404.618 3.766 20 0 HHADLP C[N@H+](CCCO)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000538732300 1007013124 /nfs/dbraw/zinc/01/31/24/1007013124.db2.gz AUDMERKIHXQGHE-UHFFFAOYSA-N 2 2 418.585 3.877 20 0 HHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000538732300 1007013140 /nfs/dbraw/zinc/01/31/40/1007013140.db2.gz AUDMERKIHXQGHE-UHFFFAOYSA-N 2 2 418.585 3.877 20 0 HHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532628443 1007050551 /nfs/dbraw/zinc/05/05/51/1007050551.db2.gz JPORYHMPJAVEJS-FGZHOGPDSA-N 2 2 415.965 3.781 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000535045212 1007079483 /nfs/dbraw/zinc/07/94/83/1007079483.db2.gz GCFLARHZGANCFZ-QFIPXVFZSA-N 2 2 402.542 3.548 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000535045212 1007079499 /nfs/dbraw/zinc/07/94/99/1007079499.db2.gz GCFLARHZGANCFZ-QFIPXVFZSA-N 2 2 402.542 3.548 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093785 1007108527 /nfs/dbraw/zinc/10/85/27/1007108527.db2.gz FDEFHUOCTWERNW-VXKWHMMOSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093785 1007108530 /nfs/dbraw/zinc/10/85/30/1007108530.db2.gz FDEFHUOCTWERNW-VXKWHMMOSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093979 1007109518 /nfs/dbraw/zinc/10/95/18/1007109518.db2.gz FVXLGXRMYPZGLF-XZOQPEGZSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093979 1007109527 /nfs/dbraw/zinc/10/95/27/1007109527.db2.gz FVXLGXRMYPZGLF-XZOQPEGZSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)C[C@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096983 1007114514 /nfs/dbraw/zinc/11/45/14/1007114514.db2.gz RANZGLRIHDUEMT-UEVCKROQSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)C[C@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096983 1007114517 /nfs/dbraw/zinc/11/45/17/1007114517.db2.gz RANZGLRIHDUEMT-UEVCKROQSA-N 2 2 413.606 3.738 20 0 HHADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114372 1007140673 /nfs/dbraw/zinc/14/06/73/1007140673.db2.gz CHAGIEMZAXMQNZ-ZLGUVYLKSA-N 2 2 422.976 3.598 20 0 HHADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114372 1007140677 /nfs/dbraw/zinc/14/06/77/1007140677.db2.gz CHAGIEMZAXMQNZ-ZLGUVYLKSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114372 1007140684 /nfs/dbraw/zinc/14/06/84/1007140684.db2.gz CHAGIEMZAXMQNZ-ZLGUVYLKSA-N 2 2 422.976 3.598 20 0 HHADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535114372 1007140689 /nfs/dbraw/zinc/14/06/89/1007140689.db2.gz CHAGIEMZAXMQNZ-ZLGUVYLKSA-N 2 2 422.976 3.598 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117387 1007146835 /nfs/dbraw/zinc/14/68/35/1007146835.db2.gz QTJATCYZJNXEEM-PMACEKPBSA-N 2 2 410.965 3.740 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117387 1007146846 /nfs/dbraw/zinc/14/68/46/1007146846.db2.gz QTJATCYZJNXEEM-PMACEKPBSA-N 2 2 410.965 3.740 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121904 1007154991 /nfs/dbraw/zinc/15/49/91/1007154991.db2.gz RPBWJUBEHVNQCI-FKBYEOEOSA-N 2 2 401.599 3.511 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121904 1007154998 /nfs/dbraw/zinc/15/49/98/1007154998.db2.gz RPBWJUBEHVNQCI-FKBYEOEOSA-N 2 2 401.599 3.511 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122805 1007156032 /nfs/dbraw/zinc/15/60/32/1007156032.db2.gz YFLYMYPCEWXGCQ-VLCRHTCISA-N 2 2 418.630 3.504 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122805 1007156034 /nfs/dbraw/zinc/15/60/34/1007156034.db2.gz YFLYMYPCEWXGCQ-VLCRHTCISA-N 2 2 418.630 3.504 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293442 1007344845 /nfs/dbraw/zinc/34/48/45/1007344845.db2.gz JSWFSRFDUUJUEU-HBMCJLEFSA-N 2 2 419.614 3.721 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293442 1007344854 /nfs/dbraw/zinc/34/48/54/1007344854.db2.gz JSWFSRFDUUJUEU-HBMCJLEFSA-N 2 2 419.614 3.721 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000539049048 1007346180 /nfs/dbraw/zinc/34/61/80/1007346180.db2.gz ZQYGOWXDXOFNKU-WATLYSKOSA-N 2 2 408.590 3.659 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062008 1007355005 /nfs/dbraw/zinc/35/50/05/1007355005.db2.gz QCLBQUTWMBLPNO-SFGWALBWSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539062008 1007355020 /nfs/dbraw/zinc/35/50/20/1007355020.db2.gz QCLBQUTWMBLPNO-SFGWALBWSA-N 2 2 421.507 3.752 20 0 HHADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539076261 1007368422 /nfs/dbraw/zinc/36/84/22/1007368422.db2.gz CNBWDUUACDMRRW-YADHBBJMSA-N 2 2 409.578 3.585 20 0 HHADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)cc1 ZINC000539079007 1007369786 /nfs/dbraw/zinc/36/97/86/1007369786.db2.gz QGUXUMLCSULOLJ-VQTJNVASSA-N 2 2 415.969 3.676 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000533139309 1007477216 /nfs/dbraw/zinc/47/72/16/1007477216.db2.gz UURPEVMRIATGBE-UHFFFAOYSA-N 2 2 421.545 3.994 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000533139309 1007477222 /nfs/dbraw/zinc/47/72/22/1007477222.db2.gz UURPEVMRIATGBE-UHFFFAOYSA-N 2 2 421.545 3.994 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172681 1007514312 /nfs/dbraw/zinc/51/43/12/1007514312.db2.gz YWGHNVYUYKOFOV-XPGWFJOJSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172681 1007514316 /nfs/dbraw/zinc/51/43/16/1007514316.db2.gz YWGHNVYUYKOFOV-XPGWFJOJSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172681 1007514320 /nfs/dbraw/zinc/51/43/20/1007514320.db2.gz YWGHNVYUYKOFOV-XPGWFJOJSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172681 1007514322 /nfs/dbraw/zinc/51/43/22/1007514322.db2.gz YWGHNVYUYKOFOV-XPGWFJOJSA-N 2 2 408.949 3.540 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173182 1007515717 /nfs/dbraw/zinc/51/57/17/1007515717.db2.gz QSZNGOJUYXHCJP-PMACEKPBSA-N 2 2 410.965 3.788 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173182 1007515727 /nfs/dbraw/zinc/51/57/27/1007515727.db2.gz QSZNGOJUYXHCJP-PMACEKPBSA-N 2 2 410.965 3.788 20 0 HHADLP CC(C)C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000539243518 1007537738 /nfs/dbraw/zinc/53/77/38/1007537738.db2.gz ODEMFNOCOHIHRV-XMMPIXPASA-N 2 2 409.574 3.512 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000539262740 1007558677 /nfs/dbraw/zinc/55/86/77/1007558677.db2.gz NDGXEDVBGVNXDP-LJQANCHMSA-N 2 2 411.546 3.595 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502973 1007559566 /nfs/dbraw/zinc/55/95/66/1007559566.db2.gz AXQIQJRESZYWIC-UYAOXDASSA-N 2 2 418.994 3.504 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502973 1007559574 /nfs/dbraw/zinc/55/95/74/1007559574.db2.gz AXQIQJRESZYWIC-UYAOXDASSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502973 1007559581 /nfs/dbraw/zinc/55/95/81/1007559581.db2.gz AXQIQJRESZYWIC-UYAOXDASSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502973 1007559591 /nfs/dbraw/zinc/55/95/91/1007559591.db2.gz AXQIQJRESZYWIC-UYAOXDASSA-N 2 2 418.994 3.504 20 0 HHADLP COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000539266077 1007560824 /nfs/dbraw/zinc/56/08/24/1007560824.db2.gz MQHKRLOVOCXKKG-INIZCTEOSA-N 2 2 417.550 3.672 20 0 HHADLP CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000535598335 1007611598 /nfs/dbraw/zinc/61/15/98/1007611598.db2.gz NHESRMIWBSCJRY-UHFFFAOYSA-N 2 2 423.557 3.780 20 0 HHADLP CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000535598335 1007611604 /nfs/dbraw/zinc/61/16/04/1007611604.db2.gz NHESRMIWBSCJRY-UHFFFAOYSA-N 2 2 423.557 3.780 20 0 HHADLP COc1cccc(NC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000517402035 1007627232 /nfs/dbraw/zinc/62/72/32/1007627232.db2.gz PTHCCXXRDWWBEU-RUZDIDTESA-N 2 2 409.574 3.863 20 0 HHADLP COc1cccc(NC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000517402035 1007627241 /nfs/dbraw/zinc/62/72/41/1007627241.db2.gz PTHCCXXRDWWBEU-RUZDIDTESA-N 2 2 409.574 3.863 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647002 1007654775 /nfs/dbraw/zinc/65/47/75/1007654775.db2.gz NXBORWWBZZZCAY-LEWJYISDSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647002 1007654782 /nfs/dbraw/zinc/65/47/82/1007654782.db2.gz NXBORWWBZZZCAY-LEWJYISDSA-N 2 2 418.582 3.505 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535656110 1007669885 /nfs/dbraw/zinc/66/98/85/1007669885.db2.gz RMNGIMWNKNUSRE-WOJBJXKFSA-N 2 2 416.614 3.575 20 0 HHADLP CN(C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535656110 1007669891 /nfs/dbraw/zinc/66/98/91/1007669891.db2.gz RMNGIMWNKNUSRE-WOJBJXKFSA-N 2 2 416.614 3.575 20 0 HHADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000539400531 1007707873 /nfs/dbraw/zinc/70/78/73/1007707873.db2.gz NGEWYNMRRSPSAL-FQEVSTJZSA-N 2 2 400.588 3.871 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454381 1007765479 /nfs/dbraw/zinc/76/54/79/1007765479.db2.gz XAQSMMLOMIETBY-RTWAWAEBSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454381 1007765501 /nfs/dbraw/zinc/76/55/01/1007765501.db2.gz XAQSMMLOMIETBY-RTWAWAEBSA-N 2 2 406.546 3.635 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539456214 1007768032 /nfs/dbraw/zinc/76/80/32/1007768032.db2.gz JXTNWERUFMSVDU-YADHBBJMSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539456214 1007768036 /nfs/dbraw/zinc/76/80/36/1007768036.db2.gz JXTNWERUFMSVDU-YADHBBJMSA-N 2 2 414.594 3.813 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000517566054 1007773510 /nfs/dbraw/zinc/77/35/10/1007773510.db2.gz NLCTWRCQQVIRKP-UZLBHIALSA-N 2 2 403.958 3.617 20 0 HHADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808693 1007819528 /nfs/dbraw/zinc/81/95/28/1007819528.db2.gz RPHHHHKMRLUOHS-KNQAVFIVSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808693 1007819541 /nfs/dbraw/zinc/81/95/41/1007819541.db2.gz RPHHHHKMRLUOHS-KNQAVFIVSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808693 1007819557 /nfs/dbraw/zinc/81/95/57/1007819557.db2.gz RPHHHHKMRLUOHS-KNQAVFIVSA-N 2 2 422.573 3.697 20 0 HHADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000535808693 1007819567 /nfs/dbraw/zinc/81/95/67/1007819567.db2.gz RPHHHHKMRLUOHS-KNQAVFIVSA-N 2 2 422.573 3.697 20 0 HHADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000517617902 1007824839 /nfs/dbraw/zinc/82/48/39/1007824839.db2.gz RWUJGVMJRPKHAE-OAQYLSRUSA-N 2 2 415.969 3.938 20 0 HHADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000517617902 1007824847 /nfs/dbraw/zinc/82/48/47/1007824847.db2.gz RWUJGVMJRPKHAE-OAQYLSRUSA-N 2 2 415.969 3.938 20 0 HHADLP c1ccc(C[NH+]2CCC(c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)CC2)cc1 ZINC000517630331 1007839286 /nfs/dbraw/zinc/83/92/86/1007839286.db2.gz YNCXTEFGAAEVMV-UHFFFAOYSA-N 2 2 418.541 3.948 20 0 HHADLP CCO[C@H](C)c1noc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533531903 1007852744 /nfs/dbraw/zinc/85/27/44/1007852744.db2.gz HYGLDYYMSCIMHB-QGZVFWFLSA-N 2 2 416.570 3.880 20 0 HHADLP CCO[C@H](C)c1noc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533531903 1007852747 /nfs/dbraw/zinc/85/27/47/1007852747.db2.gz HYGLDYYMSCIMHB-QGZVFWFLSA-N 2 2 416.570 3.880 20 0 HHADLP CCCN(CCC)C(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531661 1007852798 /nfs/dbraw/zinc/85/27/98/1007852798.db2.gz CWOWDXDWOMVNBS-UHFFFAOYSA-N 2 2 403.615 3.848 20 0 HHADLP CCCN(CCC)C(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531661 1007852802 /nfs/dbraw/zinc/85/28/02/1007852802.db2.gz CWOWDXDWOMVNBS-UHFFFAOYSA-N 2 2 403.615 3.848 20 0 HHADLP CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531729 1007852841 /nfs/dbraw/zinc/85/28/41/1007852841.db2.gz LAYRGAQRBSJXRN-OALUTQOASA-N 2 2 415.626 3.704 20 0 HHADLP CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531729 1007852846 /nfs/dbraw/zinc/85/28/46/1007852846.db2.gz LAYRGAQRBSJXRN-OALUTQOASA-N 2 2 415.626 3.704 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849288 1007862305 /nfs/dbraw/zinc/86/23/05/1007862305.db2.gz WSMITRFYTRWMFB-XZOQPEGZSA-N 2 2 414.569 3.645 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849288 1007862310 /nfs/dbraw/zinc/86/23/10/1007862310.db2.gz WSMITRFYTRWMFB-XZOQPEGZSA-N 2 2 414.569 3.645 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856922 1007872218 /nfs/dbraw/zinc/87/22/18/1007872218.db2.gz SGIZPSLVJOIRGG-WOJBJXKFSA-N 2 2 423.001 3.543 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856922 1007872224 /nfs/dbraw/zinc/87/22/24/1007872224.db2.gz SGIZPSLVJOIRGG-WOJBJXKFSA-N 2 2 423.001 3.543 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857982 1007873268 /nfs/dbraw/zinc/87/32/68/1007873268.db2.gz ZRGKNQRXPBYZAP-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857982 1007873277 /nfs/dbraw/zinc/87/32/77/1007873277.db2.gz ZRGKNQRXPBYZAP-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535871454 1007888696 /nfs/dbraw/zinc/88/86/96/1007888696.db2.gz JGDNJPWMRFZDDJ-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535871454 1007888704 /nfs/dbraw/zinc/88/87/04/1007888704.db2.gz JGDNJPWMRFZDDJ-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876410 1007894792 /nfs/dbraw/zinc/89/47/92/1007894792.db2.gz MMIAHMBKFQPIHI-IPMKNSEASA-N 2 2 407.628 3.573 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876410 1007894799 /nfs/dbraw/zinc/89/47/99/1007894799.db2.gz MMIAHMBKFQPIHI-IPMKNSEASA-N 2 2 407.628 3.573 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590527 1007910099 /nfs/dbraw/zinc/91/00/99/1007910099.db2.gz NBWGILINMYPNCO-RBUKOAKNSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590527 1007910106 /nfs/dbraw/zinc/91/01/06/1007910106.db2.gz NBWGILINMYPNCO-RBUKOAKNSA-N 2 2 407.628 3.897 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647897 1007956780 /nfs/dbraw/zinc/95/67/80/1007956780.db2.gz NNTCASGVDNGGMX-GOTSBHOMSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647897 1007956793 /nfs/dbraw/zinc/95/67/93/1007956793.db2.gz NNTCASGVDNGGMX-GOTSBHOMSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647891 1007957323 /nfs/dbraw/zinc/95/73/23/1007957323.db2.gz FHHMWSHBGSPPLT-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cnn(-c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000533647891 1007957325 /nfs/dbraw/zinc/95/73/25/1007957325.db2.gz FHHMWSHBGSPPLT-RPWUZVMVSA-N 2 2 423.605 3.590 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649295 1007959998 /nfs/dbraw/zinc/95/99/98/1007959998.db2.gz RXWCGWDYCAPJRK-USCONSEESA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649295 1007960003 /nfs/dbraw/zinc/96/00/03/1007960003.db2.gz RXWCGWDYCAPJRK-USCONSEESA-N 2 2 407.549 3.864 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651097 1007963942 /nfs/dbraw/zinc/96/39/42/1007963942.db2.gz NAKYGLPAMCYISE-WOJBJXKFSA-N 2 2 419.635 3.815 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000533651097 1007963956 /nfs/dbraw/zinc/96/39/56/1007963956.db2.gz NAKYGLPAMCYISE-WOJBJXKFSA-N 2 2 419.635 3.815 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662785 1007977837 /nfs/dbraw/zinc/97/78/37/1007977837.db2.gz MUBMSJJESWQYRJ-GOTSBHOMSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662785 1007977846 /nfs/dbraw/zinc/97/78/46/1007977846.db2.gz MUBMSJJESWQYRJ-GOTSBHOMSA-N 2 2 422.658 3.704 20 0 HHADLP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccccc1 ZINC000539687823 1008007519 /nfs/dbraw/zinc/00/75/19/1008007519.db2.gz FLNHOIDOJVFYCP-KRWDZBQOSA-N 2 2 405.550 3.674 20 0 HHADLP C[C@H](c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000517854949 1008015079 /nfs/dbraw/zinc/01/50/79/1008015079.db2.gz SCPHEOOHIUEHFM-HXUWFJFHSA-N 2 2 407.558 3.931 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535981891 1008021802 /nfs/dbraw/zinc/02/18/02/1008021802.db2.gz BSQHNFKPVMGKMF-NHCUHLMSSA-N 2 2 412.688 3.744 20 0 HHADLP CC(C)CSCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535981891 1008021807 /nfs/dbraw/zinc/02/18/07/1008021807.db2.gz BSQHNFKPVMGKMF-NHCUHLMSSA-N 2 2 412.688 3.744 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000533738349 1008064248 /nfs/dbraw/zinc/06/42/48/1008064248.db2.gz ITDVGLYJBDQYBV-WOIUINJBSA-N 2 2 409.578 3.597 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000536082555 1008108049 /nfs/dbraw/zinc/10/80/49/1008108049.db2.gz RHQLXPJEBHSUKJ-NRFANRHFSA-N 2 2 415.541 3.896 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000533809006 1008126855 /nfs/dbraw/zinc/12/68/55/1008126855.db2.gz VNADISJGNUKEGC-JOCHJYFZSA-N 2 2 414.619 3.528 20 0 HHADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881102 1008158674 /nfs/dbraw/zinc/15/86/74/1008158674.db2.gz UNRBDOILUILGCV-LAUBAEHRSA-N 2 2 400.954 3.681 20 0 HHADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881102 1008158675 /nfs/dbraw/zinc/15/86/75/1008158675.db2.gz UNRBDOILUILGCV-LAUBAEHRSA-N 2 2 400.954 3.681 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000518287077 1008240572 /nfs/dbraw/zinc/24/05/72/1008240572.db2.gz CBLKAEPXAMEDKT-HXUWFJFHSA-N 2 2 415.969 3.851 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318755 /nfs/dbraw/zinc/31/87/55/1008318755.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 2 2 420.601 3.675 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318758 /nfs/dbraw/zinc/31/87/58/1008318758.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 2 2 420.601 3.675 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)cc1 ZINC000540168067 1008319706 /nfs/dbraw/zinc/31/97/06/1008319706.db2.gz BQFQPZATANMZKD-NTKDMRAZSA-N 2 2 407.558 3.627 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2)cc1 ZINC000540168067 1008319710 /nfs/dbraw/zinc/31/97/10/1008319710.db2.gz BQFQPZATANMZKD-NTKDMRAZSA-N 2 2 407.558 3.627 20 0 HHADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc2ccccc21 ZINC000540180921 1008325271 /nfs/dbraw/zinc/32/52/71/1008325271.db2.gz JZDONRBMMZVBTI-CTNGQTDRSA-N 2 2 417.557 3.786 20 0 HHADLP CCC(CC)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000540379048 1008407260 /nfs/dbraw/zinc/40/72/60/1008407260.db2.gz GSQWXKQCESYOEQ-QFIPXVFZSA-N 2 2 400.592 3.949 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912928 1008470908 /nfs/dbraw/zinc/47/09/08/1008470908.db2.gz JWVCTZDIYZDJCT-JTSKRJEESA-N 2 2 414.525 3.643 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n(-c2ccccc2F)n1 ZINC000543062170 1008639874 /nfs/dbraw/zinc/63/98/74/1008639874.db2.gz DLCKYEUAQIKSOR-UHFFFAOYSA-N 2 2 424.524 3.647 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109663 1008682876 /nfs/dbraw/zinc/68/28/76/1008682876.db2.gz RMXICCJDWGPJFH-HNRGCMDKSA-N 2 2 401.639 3.998 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109663 1008682883 /nfs/dbraw/zinc/68/28/83/1008682883.db2.gz RMXICCJDWGPJFH-HNRGCMDKSA-N 2 2 401.639 3.998 20 0 HHADLP Cc1ccc2c(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc(O)c2n1 ZINC000549139104 1008708834 /nfs/dbraw/zinc/70/88/34/1008708834.db2.gz QMQYKFGXQYOJOY-UHFFFAOYSA-N 3 2 410.606 3.877 20 0 HHADLP Cc1ccc2c(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc(O)c2n1 ZINC000549139104 1008708852 /nfs/dbraw/zinc/70/88/52/1008708852.db2.gz QMQYKFGXQYOJOY-UHFFFAOYSA-N 3 2 410.606 3.877 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549165095 1008736904 /nfs/dbraw/zinc/73/69/04/1008736904.db2.gz JJMLGZNJTHKHOX-GOSISDBHSA-N 2 2 415.607 3.565 20 0 HHADLP CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549165095 1008736911 /nfs/dbraw/zinc/73/69/11/1008736911.db2.gz JJMLGZNJTHKHOX-GOSISDBHSA-N 2 2 415.607 3.565 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000543263196 1008835342 /nfs/dbraw/zinc/83/53/42/1008835342.db2.gz XMICLYLREKCPQA-FCHUYYIVSA-N 2 2 408.590 3.782 20 0 HHADLP CC(C)OCC[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000543332888 1008917212 /nfs/dbraw/zinc/91/72/12/1008917212.db2.gz FKSQAEQHDCGIID-UHFFFAOYSA-N 2 2 409.574 3.501 20 0 HHADLP CC(C)OCC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000543332888 1008917225 /nfs/dbraw/zinc/91/72/25/1008917225.db2.gz FKSQAEQHDCGIID-UHFFFAOYSA-N 2 2 409.574 3.501 20 0 HHADLP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543394279 1008984794 /nfs/dbraw/zinc/98/47/94/1008984794.db2.gz KIKWJIKCLNPZAD-UHFFFAOYSA-N 2 2 417.435 3.844 20 0 HHADLP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543394279 1008984804 /nfs/dbraw/zinc/98/48/04/1008984804.db2.gz KIKWJIKCLNPZAD-UHFFFAOYSA-N 2 2 417.435 3.844 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000543395121 1008986185 /nfs/dbraw/zinc/98/61/85/1008986185.db2.gz YIIWZCPUDLEQKX-JOCHJYFZSA-N 2 2 417.513 3.504 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000543395121 1008986199 /nfs/dbraw/zinc/98/61/99/1008986199.db2.gz YIIWZCPUDLEQKX-JOCHJYFZSA-N 2 2 417.513 3.504 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3)s2)CC1 ZINC000545916727 1008994940 /nfs/dbraw/zinc/99/49/40/1008994940.db2.gz SLOMBRGFQLTSLN-UHFFFAOYSA-N 2 2 402.560 3.931 20 0 HHADLP COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)C ZINC000543493464 1009083334 /nfs/dbraw/zinc/08/33/34/1009083334.db2.gz SYRAALWJHHQHNX-LJQANCHMSA-N 2 2 416.591 3.543 20 0 HHADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000543518251 1009108720 /nfs/dbraw/zinc/10/87/20/1009108720.db2.gz IGOUSXBEFOJHSY-FUHWJXTLSA-N 2 2 400.592 3.630 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)Nc3cccc(OCC[NH+](C)C)c3)c2)cc[nH+]1 ZINC000543551458 1009155426 /nfs/dbraw/zinc/15/54/26/1009155426.db2.gz UTHZVNBJIQPAHN-UHFFFAOYSA-N 2 2 405.502 3.590 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549588770 1009215754 /nfs/dbraw/zinc/21/57/54/1009215754.db2.gz JOKHRBMUNHJDOV-OAQYLSRUSA-N 2 2 409.578 3.662 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549588770 1009215765 /nfs/dbraw/zinc/21/57/65/1009215765.db2.gz JOKHRBMUNHJDOV-OAQYLSRUSA-N 2 2 409.578 3.662 20 0 HHADLP Fc1ccc(-c2nc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000520207954 1009342277 /nfs/dbraw/zinc/34/22/77/1009342277.db2.gz TZBOJHLFSWYNQO-UHFFFAOYSA-N 2 2 410.562 3.857 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941277 1009535219 /nfs/dbraw/zinc/53/52/19/1009535219.db2.gz XVVVVARYGCWOSI-UYAOXDASSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543941277 1009535238 /nfs/dbraw/zinc/53/52/38/1009535238.db2.gz XVVVVARYGCWOSI-UYAOXDASSA-N 2 2 424.511 3.509 20 0 HHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000520546276 1009631447 /nfs/dbraw/zinc/63/14/47/1009631447.db2.gz ONYSTHGHNCAXCB-UHFFFAOYSA-N 2 2 409.578 3.735 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544034735 1009635140 /nfs/dbraw/zinc/63/51/40/1009635140.db2.gz LJYGXDYSQRRHNL-ROUUACIJSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ncccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544034735 1009635149 /nfs/dbraw/zinc/63/51/49/1009635149.db2.gz LJYGXDYSQRRHNL-ROUUACIJSA-N 2 2 412.500 3.510 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000520583784 1009663748 /nfs/dbraw/zinc/66/37/48/1009663748.db2.gz FFMWSCVZNYGTND-JOCHJYFZSA-N 2 2 404.574 3.724 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000520583784 1009663752 /nfs/dbraw/zinc/66/37/52/1009663752.db2.gz FFMWSCVZNYGTND-JOCHJYFZSA-N 2 2 404.574 3.724 20 0 HHADLP CC(C)C[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520604929 1009681755 /nfs/dbraw/zinc/68/17/55/1009681755.db2.gz URPCDGZDZUAICG-UHFFFAOYSA-N 2 2 409.574 3.658 20 0 HHADLP CC(C)C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520604929 1009681765 /nfs/dbraw/zinc/68/17/65/1009681765.db2.gz URPCDGZDZUAICG-UHFFFAOYSA-N 2 2 409.574 3.658 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000520621597 1009699397 /nfs/dbraw/zinc/69/93/97/1009699397.db2.gz MQAHFPPHEDGKPD-HNNXBMFYSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000520621597 1009699406 /nfs/dbraw/zinc/69/94/06/1009699406.db2.gz MQAHFPPHEDGKPD-HNNXBMFYSA-N 2 2 415.409 3.592 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc4[nH]c(-c5cccs5)nc43)CC2)CC1 ZINC000546790923 1009756864 /nfs/dbraw/zinc/75/68/64/1009756864.db2.gz AFDIPWPQBRWXGY-UHFFFAOYSA-N 2 2 423.586 3.580 20 0 HHADLP C[C@H](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000544235696 1009847447 /nfs/dbraw/zinc/84/74/47/1009847447.db2.gz IFVIXEZSGNXYGB-VAMGGRTRSA-N 2 2 402.583 3.682 20 0 HHADLP COc1cc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)ccc1OCC[NH+](C)C ZINC000546982066 1009938227 /nfs/dbraw/zinc/93/82/27/1009938227.db2.gz LHGVNUGQYMLCBA-UHFFFAOYSA-N 2 2 405.458 3.538 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544351829 1009977841 /nfs/dbraw/zinc/97/78/41/1009977841.db2.gz XWLFQNDHKRZQEM-FQEVSTJZSA-N 2 2 408.527 3.862 20 0 HHADLP O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544351829 1009977849 /nfs/dbraw/zinc/97/78/49/1009977849.db2.gz XWLFQNDHKRZQEM-FQEVSTJZSA-N 2 2 408.527 3.862 20 0 HHADLP Fc1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)nc1 ZINC000544365675 1009993555 /nfs/dbraw/zinc/99/35/55/1009993555.db2.gz QZWBWKIJISBPQP-RUZDIDTESA-N 2 2 404.533 3.718 20 0 HHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000550649277 1010082470 /nfs/dbraw/zinc/08/24/70/1010082470.db2.gz NWMZRXOVPUAZTM-UHFFFAOYSA-N 2 2 405.546 3.725 20 0 HHADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000544511738 1010135130 /nfs/dbraw/zinc/13/51/30/1010135130.db2.gz HPVQZUACNUTBCI-QAPCUYQASA-N 2 2 406.983 3.709 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](c3cnn[nH]3)c3ccc(F)cc3)CC2)c1 ZINC000550887556 1010242765 /nfs/dbraw/zinc/24/27/65/1010242765.db2.gz YPZGMKZRBWZOLX-DEOSSOPVSA-N 2 2 422.552 3.534 20 0 HHADLP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511911 1010334751 /nfs/dbraw/zinc/33/47/51/1010334751.db2.gz BRZDQQKTRIDHEW-WBVHZDCISA-N 2 2 403.452 3.748 20 0 HHADLP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511911 1010334765 /nfs/dbraw/zinc/33/47/65/1010334765.db2.gz BRZDQQKTRIDHEW-WBVHZDCISA-N 2 2 403.452 3.748 20 0 HHADLP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521426232 1010370184 /nfs/dbraw/zinc/37/01/84/1010370184.db2.gz LXIZQPPQILLPLP-RUZDIDTESA-N 2 2 421.585 3.752 20 0 HHADLP O=C(C[N@H+]1CCCCC[C@@H]1c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521426232 1010370196 /nfs/dbraw/zinc/37/01/96/1010370196.db2.gz LXIZQPPQILLPLP-RUZDIDTESA-N 2 2 421.585 3.752 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000521463249 1010385917 /nfs/dbraw/zinc/38/59/17/1010385917.db2.gz HPJQVMSVGAHCGS-UHFFFAOYSA-N 2 2 405.612 3.859 20 0 HHADLP Cc1cccn2cc(CC(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)[nH+]c12 ZINC000548427927 1010622996 /nfs/dbraw/zinc/62/29/96/1010622996.db2.gz SRNMJTULKHLHMP-UHFFFAOYSA-N 2 2 405.546 3.602 20 0 HHADLP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521836433 1010648062 /nfs/dbraw/zinc/64/80/62/1010648062.db2.gz ZCFMPTPGFGGRQE-XMMPIXPASA-N 2 2 423.626 3.600 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000521844751 1010655116 /nfs/dbraw/zinc/65/51/16/1010655116.db2.gz SXLLTEWMODQAOM-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000521844751 1010655120 /nfs/dbraw/zinc/65/51/20/1010655120.db2.gz SXLLTEWMODQAOM-KRWDZBQOSA-N 2 2 422.392 3.607 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000522073793 1010793433 /nfs/dbraw/zinc/79/34/33/1010793433.db2.gz BOTBKDIBDXLCEO-IBGZPJMESA-N 2 2 410.562 3.853 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000522073793 1010793438 /nfs/dbraw/zinc/79/34/38/1010793438.db2.gz BOTBKDIBDXLCEO-IBGZPJMESA-N 2 2 410.562 3.853 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000522292052 1010910066 /nfs/dbraw/zinc/91/00/66/1010910066.db2.gz FFWANKTUUYDNBI-WOJBJXKFSA-N 2 2 409.578 3.599 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522400527 1010982320 /nfs/dbraw/zinc/98/23/20/1010982320.db2.gz AXJPOENFOVEBAP-UHFFFAOYSA-N 2 2 403.530 3.858 20 0 HHADLP CC(C)(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000522472107 1011033888 /nfs/dbraw/zinc/03/38/88/1011033888.db2.gz ZWOMDXUTQUEONA-UHFFFAOYSA-N 2 2 403.530 3.508 20 0 HHADLP CC(C)(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000522472107 1011033893 /nfs/dbraw/zinc/03/38/93/1011033893.db2.gz ZWOMDXUTQUEONA-UHFFFAOYSA-N 2 2 403.530 3.508 20 0 HHADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000522735793 1011185226 /nfs/dbraw/zinc/18/52/26/1011185226.db2.gz YBWIDYCIPHHMST-QFIPXVFZSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000522735793 1011185233 /nfs/dbraw/zinc/18/52/33/1011185233.db2.gz YBWIDYCIPHHMST-QFIPXVFZSA-N 2 2 408.590 3.903 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000522760621 1011200686 /nfs/dbraw/zinc/20/06/86/1011200686.db2.gz TTWSHLFCUXFYOQ-UHFFFAOYSA-N 2 2 417.513 3.939 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000540616325 1011268519 /nfs/dbraw/zinc/26/85/19/1011268519.db2.gz QVHRHVXPQYLBRR-RCZVLFRGSA-N 2 2 404.558 3.600 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000540616325 1011268535 /nfs/dbraw/zinc/26/85/35/1011268535.db2.gz QVHRHVXPQYLBRR-RCZVLFRGSA-N 2 2 404.558 3.600 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000540663740 1011318110 /nfs/dbraw/zinc/31/81/10/1011318110.db2.gz AXIHVLRSVGWVAN-GCJKJVERSA-N 2 2 412.622 3.954 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000540663740 1011318115 /nfs/dbraw/zinc/31/81/15/1011318115.db2.gz AXIHVLRSVGWVAN-GCJKJVERSA-N 2 2 412.622 3.954 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719396 1011371245 /nfs/dbraw/zinc/37/12/45/1011371245.db2.gz KLGMCCMYEOJKCO-RBUKOAKNSA-N 2 2 407.921 3.507 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540719396 1011371251 /nfs/dbraw/zinc/37/12/51/1011371251.db2.gz KLGMCCMYEOJKCO-RBUKOAKNSA-N 2 2 407.921 3.507 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nn1[C@H](C)C1CC1 ZINC000540806194 1011468057 /nfs/dbraw/zinc/46/80/57/1011468057.db2.gz NRFHQBICSNGWQR-SXSPYAJSSA-N 2 2 415.626 3.572 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nn1[C@H](C)C1CC1 ZINC000540806194 1011468063 /nfs/dbraw/zinc/46/80/63/1011468063.db2.gz NRFHQBICSNGWQR-SXSPYAJSSA-N 2 2 415.626 3.572 20 0 HHADLP C[NH+](C)CCOC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000540812646 1011472831 /nfs/dbraw/zinc/47/28/31/1011472831.db2.gz APEAHDUDFNARFR-UHFFFAOYSA-N 2 2 407.299 3.593 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ncc(Br)s1 ZINC000540988680 1011621280 /nfs/dbraw/zinc/62/12/80/1011621280.db2.gz LWAIUFWGSZLLHR-CJNGLKHVSA-N 2 2 410.381 3.713 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ncc(Br)s1 ZINC000540988680 1011621288 /nfs/dbraw/zinc/62/12/88/1011621288.db2.gz LWAIUFWGSZLLHR-CJNGLKHVSA-N 2 2 410.381 3.713 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536450534 1011668388 /nfs/dbraw/zinc/66/83/88/1011668388.db2.gz RILTVJAFBMAITP-NHCUHLMSSA-N 2 2 402.583 3.805 20 0 HHADLP COc1ccc(C)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536450534 1011668394 /nfs/dbraw/zinc/66/83/94/1011668394.db2.gz RILTVJAFBMAITP-NHCUHLMSSA-N 2 2 402.583 3.805 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541162563 1011824468 /nfs/dbraw/zinc/82/44/68/1011824468.db2.gz AMJNCPZZTGIWAR-XPGWFJOJSA-N 2 2 418.944 3.968 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541162563 1011824489 /nfs/dbraw/zinc/82/44/89/1011824489.db2.gz AMJNCPZZTGIWAR-XPGWFJOJSA-N 2 2 418.944 3.968 20 0 HHADLP C[C@H](CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000541186509 1011858725 /nfs/dbraw/zinc/85/87/25/1011858725.db2.gz DECMEDHVASWOIC-OAQYLSRUSA-N 2 2 411.594 3.996 20 0 HHADLP C[C@H](CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000541186509 1011858740 /nfs/dbraw/zinc/85/87/40/1011858740.db2.gz DECMEDHVASWOIC-OAQYLSRUSA-N 2 2 411.594 3.996 20 0 HHADLP Clc1ccc(C[C@@]2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734199 1011894274 /nfs/dbraw/zinc/89/42/74/1011894274.db2.gz RLHYXSPQKCSPDU-RPWUZVMVSA-N 2 2 414.977 3.922 20 0 HHADLP Clc1ccc(C[C@@]2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734199 1011894297 /nfs/dbraw/zinc/89/42/97/1011894297.db2.gz RLHYXSPQKCSPDU-RPWUZVMVSA-N 2 2 414.977 3.922 20 0 HHADLP Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000523430267 1011918930 /nfs/dbraw/zinc/91/89/30/1011918930.db2.gz XDAHQKFCABZQRO-NRFANRHFSA-N 2 2 402.583 3.773 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541249450 1011929941 /nfs/dbraw/zinc/92/99/41/1011929941.db2.gz OELYTDJKNPGFAJ-XZOQPEGZSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541249450 1011929959 /nfs/dbraw/zinc/92/99/59/1011929959.db2.gz OELYTDJKNPGFAJ-XZOQPEGZSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541249448 1011930327 /nfs/dbraw/zinc/93/03/27/1011930327.db2.gz OELYTDJKNPGFAJ-GOTSBHOMSA-N 2 2 413.606 3.885 20 0 HHADLP CN(C(=O)c1ccccc1OCC1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541249448 1011930338 /nfs/dbraw/zinc/93/03/38/1011930338.db2.gz OELYTDJKNPGFAJ-GOTSBHOMSA-N 2 2 413.606 3.885 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C4CCCC4)CC3)n2)C1 ZINC000523441272 1011933109 /nfs/dbraw/zinc/93/31/09/1011933109.db2.gz JGNVFHXVXVIQOX-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C4CCCC4)CC3)n2)C1 ZINC000523441272 1011933118 /nfs/dbraw/zinc/93/31/18/1011933118.db2.gz JGNVFHXVXVIQOX-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)n2)C1 ZINC000523441272 1011933129 /nfs/dbraw/zinc/93/31/29/1011933129.db2.gz JGNVFHXVXVIQOX-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)n2)C1 ZINC000523441272 1011933157 /nfs/dbraw/zinc/93/31/57/1011933157.db2.gz JGNVFHXVXVIQOX-KRWDZBQOSA-N 2 2 405.612 3.857 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1)[NH+]1CCOCC1 ZINC000536816644 1012042328 /nfs/dbraw/zinc/04/23/28/1012042328.db2.gz OAZSQOWPHARWKG-LJQANCHMSA-N 2 2 423.561 3.513 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536829813 1012060625 /nfs/dbraw/zinc/06/06/25/1012060625.db2.gz AMAUXUWAUIFBMF-LJQANCHMSA-N 2 2 424.570 3.649 20 0 HHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(C)c1OC ZINC000552045595 1012064537 /nfs/dbraw/zinc/06/45/37/1012064537.db2.gz KONUICKXUAMLJL-IBGZPJMESA-N 2 2 414.546 3.574 20 0 HHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351773 1012065027 /nfs/dbraw/zinc/06/50/27/1012065027.db2.gz WVDVGUQEAXXOCQ-TZIWHRDSSA-N 2 2 419.491 3.556 20 0 HHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351773 1012065044 /nfs/dbraw/zinc/06/50/44/1012065044.db2.gz WVDVGUQEAXXOCQ-TZIWHRDSSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351773 1012065057 /nfs/dbraw/zinc/06/50/57/1012065057.db2.gz WVDVGUQEAXXOCQ-TZIWHRDSSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351773 1012065066 /nfs/dbraw/zinc/06/50/66/1012065066.db2.gz WVDVGUQEAXXOCQ-TZIWHRDSSA-N 2 2 419.491 3.556 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048441 1012068541 /nfs/dbraw/zinc/06/85/41/1012068541.db2.gz SROVNYFDRFUKKW-MSOLQXFVSA-N 2 2 401.473 3.569 20 0 HHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048441 1012068559 /nfs/dbraw/zinc/06/85/59/1012068559.db2.gz SROVNYFDRFUKKW-MSOLQXFVSA-N 2 2 401.473 3.569 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000541383535 1012103333 /nfs/dbraw/zinc/10/33/33/1012103333.db2.gz VJQRLOPUDZCKOP-HNNXBMFYSA-N 2 2 411.449 3.773 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000536867018 1012105605 /nfs/dbraw/zinc/10/56/05/1012105605.db2.gz AZCDQTRFCVKWTC-VJBWXMMDSA-N 2 2 421.589 3.516 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880453 1012126765 /nfs/dbraw/zinc/12/67/65/1012126765.db2.gz CANJXRIGISOVLV-UTKZUKDTSA-N 2 2 400.954 3.954 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000536880453 1012126776 /nfs/dbraw/zinc/12/67/76/1012126776.db2.gz CANJXRIGISOVLV-UTKZUKDTSA-N 2 2 400.954 3.954 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccs1 ZINC000541403621 1012136685 /nfs/dbraw/zinc/13/66/85/1012136685.db2.gz MYPUYWCTYFJRDQ-HKUYNNGSSA-N 2 2 400.592 3.974 20 0 HHADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000541422358 1012167829 /nfs/dbraw/zinc/16/78/29/1012167829.db2.gz FPVSFJDTKOLZJU-GOSISDBHSA-N 2 2 423.561 3.632 20 0 HHADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1conc1Cc1ccccc1 ZINC000552242858 1012253544 /nfs/dbraw/zinc/25/35/44/1012253544.db2.gz GJTBOGLURSYPRM-UHFFFAOYSA-N 2 2 404.558 3.515 20 0 HHADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1conc1Cc1ccccc1 ZINC000552242858 1012253557 /nfs/dbraw/zinc/25/35/57/1012253557.db2.gz GJTBOGLURSYPRM-UHFFFAOYSA-N 2 2 404.558 3.515 20 0 HHADLP O=C(CC[NH2+][C@H](Cc1ccccc1)c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000541596673 1012389032 /nfs/dbraw/zinc/38/90/32/1012389032.db2.gz CVGBXCPAJXIPKP-OAQYLSRUSA-N 2 2 420.582 3.755 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523866445 1012562234 /nfs/dbraw/zinc/56/22/34/1012562234.db2.gz MFOICUGYJSBEBN-IBGZPJMESA-N 2 2 407.562 3.575 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000541732965 1012586880 /nfs/dbraw/zinc/58/68/80/1012586880.db2.gz CEQKNSQEXQJULS-HMXCVIKNSA-N 2 2 401.576 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000552678522 1012685288 /nfs/dbraw/zinc/68/52/88/1012685288.db2.gz PRDLYWHKKAKAFJ-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000552678522 1012685298 /nfs/dbraw/zinc/68/52/98/1012685298.db2.gz PRDLYWHKKAKAFJ-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000537262178 1012712616 /nfs/dbraw/zinc/71/26/16/1012712616.db2.gz DFIAWHUNLAJMEQ-QHCPKHFHSA-N 2 2 404.514 3.507 20 0 HHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000537456741 1012951975 /nfs/dbraw/zinc/95/19/75/1012951975.db2.gz XCRJGPIRUIRLQB-UTKZUKDTSA-N 2 2 405.550 3.593 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684386 1071806944 /nfs/dbraw/zinc/80/69/44/1071806944.db2.gz NQVKUMVPDNHRSR-NHCUHLMSSA-N 2 2 408.571 3.613 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684386 1071806952 /nfs/dbraw/zinc/80/69/52/1071806952.db2.gz NQVKUMVPDNHRSR-NHCUHLMSSA-N 2 2 408.571 3.613 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684397 1071807045 /nfs/dbraw/zinc/80/70/45/1071807045.db2.gz NWJMHDRVQXBVLP-ZEQRLZLVSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684397 1071807055 /nfs/dbraw/zinc/80/70/55/1071807055.db2.gz NWJMHDRVQXBVLP-ZEQRLZLVSA-N 2 2 402.542 3.801 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684178 1071803256 /nfs/dbraw/zinc/80/32/56/1071803256.db2.gz KPQXUMWEDUQQEA-FVQBIDKESA-N 2 2 412.374 3.511 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684178 1071803277 /nfs/dbraw/zinc/80/32/77/1071803277.db2.gz KPQXUMWEDUQQEA-FVQBIDKESA-N 2 2 412.374 3.511 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684394 1071807251 /nfs/dbraw/zinc/80/72/51/1071807251.db2.gz NWJMHDRVQXBVLP-BJKOFHAPSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684394 1071807270 /nfs/dbraw/zinc/80/72/70/1071807270.db2.gz NWJMHDRVQXBVLP-BJKOFHAPSA-N 2 2 402.542 3.801 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1OC ZINC000568771263 1071944716 /nfs/dbraw/zinc/94/47/16/1071944716.db2.gz OCCCWWPOPXNRPD-CZUORRHYSA-N 2 2 412.559 3.991 20 0 HHADLP CC[C@@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001687423676 1071964411 /nfs/dbraw/zinc/96/44/11/1071964411.db2.gz DBMVUXJTSWUANF-DNQXCXABSA-N 2 2 417.557 3.930 20 0 HHADLP CC[C@@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001687423676 1071964419 /nfs/dbraw/zinc/96/44/19/1071964419.db2.gz DBMVUXJTSWUANF-DNQXCXABSA-N 2 2 417.557 3.930 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3c(C[NH+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272622 1072076658 /nfs/dbraw/zinc/07/66/58/1072076658.db2.gz IKTMJESRNBKRNW-QFIPXVFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@H+]1CCc3c(C[NH+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272622 1072076668 /nfs/dbraw/zinc/07/66/68/1072076668.db2.gz IKTMJESRNBKRNW-QFIPXVFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCc3c(C[N@H+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272622 1072076677 /nfs/dbraw/zinc/07/66/77/1072076677.db2.gz IKTMJESRNBKRNW-QFIPXVFZSA-N 2 2 403.526 3.841 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C1)C2 ZINC001168272622 1072076688 /nfs/dbraw/zinc/07/66/88/1072076688.db2.gz IKTMJESRNBKRNW-QFIPXVFZSA-N 2 2 403.526 3.841 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586864732 1072488346 /nfs/dbraw/zinc/48/83/46/1072488346.db2.gz XMNUOBUSUQYBAF-OAQYLSRUSA-N 2 2 421.520 3.723 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586864732 1072488349 /nfs/dbraw/zinc/48/83/49/1072488349.db2.gz XMNUOBUSUQYBAF-OAQYLSRUSA-N 2 2 421.520 3.723 20 0 HHADLP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377858 1072529928 /nfs/dbraw/zinc/52/99/28/1072529928.db2.gz LXTOYSZWUDVWGG-OAQYLSRUSA-N 3 2 403.636 3.678 20 0 HHADLP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377858 1072529940 /nfs/dbraw/zinc/52/99/40/1072529940.db2.gz LXTOYSZWUDVWGG-OAQYLSRUSA-N 3 2 403.636 3.678 20 0 HHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)Nc1nccs1 ZINC000565722142 1072606891 /nfs/dbraw/zinc/60/68/91/1072606891.db2.gz IRXSWPHZWCZTQX-HXUWFJFHSA-N 2 2 400.592 3.793 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)C1 ZINC000479422012 1072821461 /nfs/dbraw/zinc/82/14/61/1072821461.db2.gz OFZWQAQOLHXSTP-IFMALSPDSA-N 2 2 402.546 3.897 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000479428169 1072843186 /nfs/dbraw/zinc/84/31/86/1072843186.db2.gz UDVWDAJJKKDKBY-FQEVSTJZSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000479428169 1072843199 /nfs/dbraw/zinc/84/31/99/1072843199.db2.gz UDVWDAJJKKDKBY-FQEVSTJZSA-N 2 2 413.610 3.868 20 0 HHADLP Clc1cccc(Cl)c1-c1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000588235411 1072930209 /nfs/dbraw/zinc/93/02/09/1072930209.db2.gz HMVKFBHSJLEWQK-UHFFFAOYSA-N 2 2 411.333 3.588 20 0 HHADLP COc1ccc([C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[NH+]2CCCCC2)cc1 ZINC000588273492 1072983654 /nfs/dbraw/zinc/98/36/54/1072983654.db2.gz KFFFNXSBKBYMSL-NRFANRHFSA-N 2 2 411.550 3.535 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024714 1073113805 /nfs/dbraw/zinc/11/38/05/1073113805.db2.gz VXXCRHMUBXCMST-QFIPXVFZSA-N 2 2 418.589 3.516 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555430547 1073459651 /nfs/dbraw/zinc/45/96/51/1073459651.db2.gz HEDAAWFFZSCUCU-GOTSBHOMSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555430547 1073459658 /nfs/dbraw/zinc/45/96/58/1073459658.db2.gz HEDAAWFFZSCUCU-GOTSBHOMSA-N 2 2 411.594 3.647 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158067 1073599590 /nfs/dbraw/zinc/59/95/90/1073599590.db2.gz UQCKDVTVYCNMFV-KNKQGSTJSA-N 2 2 409.578 3.977 20 0 HHADLP O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000590728195 1073978235 /nfs/dbraw/zinc/97/82/35/1073978235.db2.gz RXXNTVILIMVDOK-QUCCMNQESA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000590728195 1073978240 /nfs/dbraw/zinc/97/82/40/1073978240.db2.gz RXXNTVILIMVDOK-QUCCMNQESA-N 2 2 406.452 3.501 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591522154 1074361880 /nfs/dbraw/zinc/36/18/80/1074361880.db2.gz SLZUZTAODRPLMN-VGSWGCGISA-N 2 2 414.525 3.643 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC000591523305 1074364468 /nfs/dbraw/zinc/36/44/68/1074364468.db2.gz BVAFIXLPJDJTPI-HXUWFJFHSA-N 2 2 422.573 3.997 20 0 HHADLP CC(C)[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000591523499 1074365917 /nfs/dbraw/zinc/36/59/17/1074365917.db2.gz OYXLIUYMCQTJGE-OFNKIYASSA-N 2 2 416.610 3.958 20 0 HHADLP CC(C)Sc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000591599336 1074435765 /nfs/dbraw/zinc/43/57/65/1074435765.db2.gz XYGYLEMJZJZDRE-SFHVURJKSA-N 2 2 406.640 3.916 20 0 HHADLP CC(C)Sc1ccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000591599336 1074435769 /nfs/dbraw/zinc/43/57/69/1074435769.db2.gz XYGYLEMJZJZDRE-SFHVURJKSA-N 2 2 406.640 3.916 20 0 HHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344379 1075603087 /nfs/dbraw/zinc/60/30/87/1075603087.db2.gz VLMWZWBFYRFWSL-MOPGFXCFSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000601344379 1075603088 /nfs/dbraw/zinc/60/30/88/1075603088.db2.gz VLMWZWBFYRFWSL-MOPGFXCFSA-N 2 2 410.965 3.616 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472820 1075618366 /nfs/dbraw/zinc/61/83/66/1075618366.db2.gz WGOYIRYXGJQNSQ-IBGZPJMESA-N 2 2 401.551 3.795 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472820 1075618367 /nfs/dbraw/zinc/61/83/67/1075618367.db2.gz WGOYIRYXGJQNSQ-IBGZPJMESA-N 2 2 401.551 3.795 20 0 HHADLP CN(C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476897 1075620214 /nfs/dbraw/zinc/62/02/14/1075620214.db2.gz BQCMWZNXXUCKHM-LJQANCHMSA-N 2 2 411.512 3.610 20 0 HHADLP CN(C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476897 1075620217 /nfs/dbraw/zinc/62/02/17/1075620217.db2.gz BQCMWZNXXUCKHM-LJQANCHMSA-N 2 2 411.512 3.610 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3SCc3cccs3)C2)CC1 ZINC000602203761 1075712890 /nfs/dbraw/zinc/71/28/90/1075712890.db2.gz HPXCPWHFPRMDNH-KRWDZBQOSA-N 2 2 415.628 3.939 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3SCc3cccs3)C2)CC1 ZINC000602203761 1075712894 /nfs/dbraw/zinc/71/28/94/1075712894.db2.gz HPXCPWHFPRMDNH-KRWDZBQOSA-N 2 2 415.628 3.939 20 0 HHADLP Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2c(C)cccc12 ZINC001164826518 720295991 /nfs/dbraw/zinc/29/59/91/720295991.db2.gz VLRAPPUUBKBFOK-YADHBBJMSA-N 2 2 406.574 3.763 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758206 720888420 /nfs/dbraw/zinc/88/84/20/720888420.db2.gz XRJVXKTZNGJZBD-WIOPSUGQSA-N 2 2 422.573 3.549 20 0 HHADLP COc1ccc(C)[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758206 720888421 /nfs/dbraw/zinc/88/84/21/720888421.db2.gz XRJVXKTZNGJZBD-WIOPSUGQSA-N 2 2 422.573 3.549 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164809944 721538728 /nfs/dbraw/zinc/53/87/28/721538728.db2.gz VVVCOFZNSOLQNA-XPWALMASSA-N 2 2 404.514 3.507 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164809944 721538734 /nfs/dbraw/zinc/53/87/34/721538734.db2.gz VVVCOFZNSOLQNA-XPWALMASSA-N 2 2 404.514 3.507 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001165027024 721823157 /nfs/dbraw/zinc/82/31/57/721823157.db2.gz QXUVQMLGRVUJPY-CEMLEFRQSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001165027024 721823159 /nfs/dbraw/zinc/82/31/59/721823159.db2.gz QXUVQMLGRVUJPY-CEMLEFRQSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC001165027024 721823160 /nfs/dbraw/zinc/82/31/60/721823160.db2.gz QXUVQMLGRVUJPY-CEMLEFRQSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC001165027024 721823162 /nfs/dbraw/zinc/82/31/62/721823162.db2.gz QXUVQMLGRVUJPY-CEMLEFRQSA-N 2 2 406.578 3.599 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(C)c2c1 ZINC001164974880 722118736 /nfs/dbraw/zinc/11/87/36/722118736.db2.gz IPJACYMPNHLYRR-HYBUGGRVSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(C)c2c1 ZINC001164974880 722118739 /nfs/dbraw/zinc/11/87/39/722118739.db2.gz IPJACYMPNHLYRR-HYBUGGRVSA-N 2 2 418.541 3.674 20 0 HHADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981024 722136561 /nfs/dbraw/zinc/13/65/61/722136561.db2.gz OIEWMOQJVSZKGV-UPVQGACJSA-N 2 2 421.589 3.955 20 0 HHADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981024 722136567 /nfs/dbraw/zinc/13/65/67/722136567.db2.gz OIEWMOQJVSZKGV-UPVQGACJSA-N 2 2 421.589 3.955 20 0 HHADLP CC(C)CN1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001165006532 722245598 /nfs/dbraw/zinc/24/55/98/722245598.db2.gz ZJTXZYZAVDQHOD-GGAORHGYSA-N 2 2 405.590 3.672 20 0 HHADLP CC(C)CN1c2ccccc2[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]21 ZINC001165006534 722245791 /nfs/dbraw/zinc/24/57/91/722245791.db2.gz ZJTXZYZAVDQHOD-JTHBVZDNSA-N 2 2 405.590 3.672 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](CC3CC3)CC2)n1 ZINC000301131898 970764135 /nfs/dbraw/zinc/76/41/35/970764135.db2.gz ZXAXKRZDJYIFAC-UHFFFAOYSA-N 2 2 407.587 3.952 20 0 HHADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301134360 970764790 /nfs/dbraw/zinc/76/47/90/970764790.db2.gz XGGAGECYTVDBNZ-UHFFFAOYSA-N 2 2 401.308 3.924 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301259628 970837921 /nfs/dbraw/zinc/83/79/21/970837921.db2.gz RSYRXLBHFVWHKC-WOJBJXKFSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301259628 970837931 /nfs/dbraw/zinc/83/79/31/970837931.db2.gz RSYRXLBHFVWHKC-WOJBJXKFSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301259628 970837938 /nfs/dbraw/zinc/83/79/38/970837938.db2.gz RSYRXLBHFVWHKC-WOJBJXKFSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301259628 970837947 /nfs/dbraw/zinc/83/79/47/970837947.db2.gz RSYRXLBHFVWHKC-WOJBJXKFSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301251808 970834077 /nfs/dbraw/zinc/83/40/77/970834077.db2.gz QACBTDIVEWDSLS-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301251808 970834082 /nfs/dbraw/zinc/83/40/82/970834082.db2.gz QACBTDIVEWDSLS-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301251808 970834088 /nfs/dbraw/zinc/83/40/88/970834088.db2.gz QACBTDIVEWDSLS-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301251808 970834095 /nfs/dbraw/zinc/83/40/95/970834095.db2.gz QACBTDIVEWDSLS-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262097 970840500 /nfs/dbraw/zinc/84/05/00/970840500.db2.gz SOZSHEMXOLABHY-KNQAVFIVSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262097 970840526 /nfs/dbraw/zinc/84/05/26/970840526.db2.gz SOZSHEMXOLABHY-KNQAVFIVSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262097 970840531 /nfs/dbraw/zinc/84/05/31/970840531.db2.gz SOZSHEMXOLABHY-KNQAVFIVSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262097 970840544 /nfs/dbraw/zinc/84/05/44/970840544.db2.gz SOZSHEMXOLABHY-KNQAVFIVSA-N 2 2 409.578 3.529 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301664946 971020537 /nfs/dbraw/zinc/02/05/37/971020537.db2.gz LFILQQBTUJTTSP-LJQANCHMSA-N 2 2 411.546 3.577 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301664945 971020641 /nfs/dbraw/zinc/02/06/41/971020641.db2.gz LFILQQBTUJTTSP-IBGZPJMESA-N 2 2 411.546 3.577 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4ccccc4Cl)n3)CC2)CC1 ZINC000303230287 971570629 /nfs/dbraw/zinc/57/06/29/971570629.db2.gz XYOAKKXBPSWRCJ-UHFFFAOYSA-N 2 2 418.994 3.752 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000303281690 971596507 /nfs/dbraw/zinc/59/65/07/971596507.db2.gz ISTZCFAQXZYQPW-QGZVFWFLSA-N 2 2 415.607 3.539 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000303281690 971596515 /nfs/dbraw/zinc/59/65/15/971596515.db2.gz ISTZCFAQXZYQPW-QGZVFWFLSA-N 2 2 415.607 3.539 20 0 HHADLP O=C(CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000303366174 971661510 /nfs/dbraw/zinc/66/15/10/971661510.db2.gz IQDODHYAJBUBQT-QHCPKHFHSA-N 2 2 417.557 3.829 20 0 HHADLP O=C(CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000303366174 971661514 /nfs/dbraw/zinc/66/15/14/971661514.db2.gz IQDODHYAJBUBQT-QHCPKHFHSA-N 2 2 417.557 3.829 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000303383863 971674754 /nfs/dbraw/zinc/67/47/54/971674754.db2.gz WQTMHYMNLSBMLF-UHFFFAOYSA-N 2 2 414.981 3.654 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178237 1013116414 /nfs/dbraw/zinc/11/64/14/1013116414.db2.gz ADQUOJGLKZNKMS-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178237 1013116420 /nfs/dbraw/zinc/11/64/20/1013116420.db2.gz ADQUOJGLKZNKMS-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178234 1013116642 /nfs/dbraw/zinc/11/66/42/1013116642.db2.gz ABSMJNNHAXSHIK-FGZHOGPDSA-N 2 2 416.610 3.526 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178234 1013116647 /nfs/dbraw/zinc/11/66/47/1013116647.db2.gz ABSMJNNHAXSHIK-FGZHOGPDSA-N 2 2 416.610 3.526 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000537616143 1013157114 /nfs/dbraw/zinc/15/71/14/1013157114.db2.gz ISXCBGDLQRLEKW-KRWDZBQOSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000537616143 1013157121 /nfs/dbraw/zinc/15/71/21/1013157121.db2.gz ISXCBGDLQRLEKW-KRWDZBQOSA-N 2 2 403.368 3.861 20 0 HHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553215740 1013179251 /nfs/dbraw/zinc/17/92/51/1013179251.db2.gz MTYGYLCRASVSAZ-PKTZIBPZSA-N 2 2 403.526 3.891 20 0 HHADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553215740 1013179259 /nfs/dbraw/zinc/17/92/59/1013179259.db2.gz MTYGYLCRASVSAZ-PKTZIBPZSA-N 2 2 403.526 3.891 20 0 HHADLP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000303844023 972382214 /nfs/dbraw/zinc/38/22/14/972382214.db2.gz QSJMHQLPCFDEFS-SVMVAKDDSA-N 2 2 404.599 3.784 20 0 HHADLP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000303844023 972382222 /nfs/dbraw/zinc/38/22/22/972382222.db2.gz QSJMHQLPCFDEFS-SVMVAKDDSA-N 2 2 404.599 3.784 20 0 HHADLP O=C(C[NH+]1CCC(CCc2ccccc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000011155634 962019832 /nfs/dbraw/zinc/01/98/32/962019832.db2.gz QNUSVYBFYYHOEC-UHFFFAOYSA-N 2 2 421.585 3.802 20 0 HHADLP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000553546822 1013442798 /nfs/dbraw/zinc/44/27/98/1013442798.db2.gz OSASPTORTCVVER-UPVQGACJSA-N 2 2 408.590 3.637 20 0 HHADLP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000553546822 1013442802 /nfs/dbraw/zinc/44/28/02/1013442802.db2.gz OSASPTORTCVVER-UPVQGACJSA-N 2 2 408.590 3.637 20 0 HHADLP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+]3CCN(c4cccc(C)c4)CC3)c(C)n2n1 ZINC000537880210 1013459194 /nfs/dbraw/zinc/45/91/94/1013459194.db2.gz YVPUUOFGMYMKMI-HXUWFJFHSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1ccc(-c2nc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cs2)c(C)c1 ZINC000050797539 964399987 /nfs/dbraw/zinc/39/99/87/964399987.db2.gz ZJGPMYYLZZXTTM-UHFFFAOYSA-N 2 2 412.603 3.715 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)CC1 ZINC000050798213 964400265 /nfs/dbraw/zinc/40/02/65/964400265.db2.gz XRBPFEXZIFDQDF-UHFFFAOYSA-N 2 2 418.994 3.752 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3CCc3ccccc3)CC2)CC1 ZINC000050799506 964401544 /nfs/dbraw/zinc/40/15/44/964401544.db2.gz JPHONLIADVZIAQ-UHFFFAOYSA-N 2 2 405.586 3.760 20 0 HHADLP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000051264450 964511161 /nfs/dbraw/zinc/51/11/61/964511161.db2.gz CXSOFINOSZDUTA-GOSISDBHSA-N 2 2 408.468 3.783 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000051777817 964694496 /nfs/dbraw/zinc/69/44/96/964694496.db2.gz JEGFXQURBUHZEN-NRFANRHFSA-N 2 2 404.986 3.745 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)CC2)CC1 ZINC000051777869 964694613 /nfs/dbraw/zinc/69/46/13/964694613.db2.gz IWQYKEMFZWXVIA-OAQYLSRUSA-N 2 2 404.574 3.771 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051777859 964694932 /nfs/dbraw/zinc/69/49/32/964694932.db2.gz SRWMOXQFWPFFOB-UHFFFAOYSA-N 2 2 404.986 3.573 20 0 HHADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777850 964695201 /nfs/dbraw/zinc/69/52/01/964695201.db2.gz BURBUYNMFADNOK-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000542594462 1013534076 /nfs/dbraw/zinc/53/40/76/1013534076.db2.gz OEYIPSLMCPAMMY-UHFFFAOYSA-N 2 2 417.557 3.910 20 0 HHADLP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000542613102 1013549291 /nfs/dbraw/zinc/54/92/91/1013549291.db2.gz XZYRKRXNQQSCKV-UHFFFAOYSA-N 2 2 405.502 3.720 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651250 1013581517 /nfs/dbraw/zinc/58/15/17/1013581517.db2.gz OWVVCUAIGCZULQ-JTHBVZDNSA-N 2 2 401.514 3.572 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)cc[nH+]1 ZINC000542651250 1013581522 /nfs/dbraw/zinc/58/15/22/1013581522.db2.gz OWVVCUAIGCZULQ-JTHBVZDNSA-N 2 2 401.514 3.572 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000058424735 965726987 /nfs/dbraw/zinc/72/69/87/965726987.db2.gz TYEFTLJGCJTFDL-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000058424735 965726997 /nfs/dbraw/zinc/72/69/97/965726997.db2.gz TYEFTLJGCJTFDL-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000058424735 965727003 /nfs/dbraw/zinc/72/70/03/965727003.db2.gz TYEFTLJGCJTFDL-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000058424735 965727015 /nfs/dbraw/zinc/72/70/15/965727015.db2.gz TYEFTLJGCJTFDL-KDURUIRLSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000035818801 966424182 /nfs/dbraw/zinc/42/41/82/966424182.db2.gz WUEBKZOILNJYIL-QFIPXVFZSA-N 2 2 405.586 3.674 20 0 HHADLP CCC[NH+]1CCN(c2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2Cl)CC1 ZINC000056745418 966443190 /nfs/dbraw/zinc/44/31/90/966443190.db2.gz URMFXYKJEJCMEP-UHFFFAOYSA-N 2 2 418.973 3.670 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000062500828 966692752 /nfs/dbraw/zinc/69/27/52/966692752.db2.gz UAIVDLSNRNIZBX-UHFFFAOYSA-N 2 2 411.937 3.799 20 0 HHADLP S=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063149525 966762854 /nfs/dbraw/zinc/76/28/54/966762854.db2.gz FHTFSFLIMZTIQX-UHFFFAOYSA-N 2 2 423.630 3.701 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000042541234 966799599 /nfs/dbraw/zinc/79/95/99/966799599.db2.gz RJJAWFLMPYAWAY-LJQANCHMSA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000042541234 966799603 /nfs/dbraw/zinc/79/96/03/966799603.db2.gz RJJAWFLMPYAWAY-LJQANCHMSA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000042541234 966799606 /nfs/dbraw/zinc/79/96/06/966799606.db2.gz RJJAWFLMPYAWAY-LJQANCHMSA-N 2 2 413.537 3.562 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000042541234 966799610 /nfs/dbraw/zinc/79/96/10/966799610.db2.gz RJJAWFLMPYAWAY-LJQANCHMSA-N 2 2 413.537 3.562 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000538118860 1013680093 /nfs/dbraw/zinc/68/00/93/1013680093.db2.gz LIUZOFFVFCOILZ-MSOLQXFVSA-N 2 2 417.500 3.844 20 0 HHADLP Brc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc2c1OCCCO2 ZINC000042790620 966849121 /nfs/dbraw/zinc/84/91/21/966849121.db2.gz IBVBTLINUOUWJQ-UHFFFAOYSA-N 2 2 418.335 3.764 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848232 1013707477 /nfs/dbraw/zinc/70/74/77/1013707477.db2.gz KHWUZCNVONORNM-YADARESESA-N 2 2 419.573 3.692 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848232 1013707485 /nfs/dbraw/zinc/70/74/85/1013707485.db2.gz KHWUZCNVONORNM-YADARESESA-N 2 2 419.573 3.692 20 0 HHADLP COc1ccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCCC2)cc1 ZINC000044877356 967307272 /nfs/dbraw/zinc/30/72/72/967307272.db2.gz YFGVEXUUTGFCLT-XMMPIXPASA-N 2 2 418.541 3.897 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045007154 967329603 /nfs/dbraw/zinc/32/96/03/967329603.db2.gz MWCYXSASGKMZEM-UHFFFAOYSA-N 2 2 408.933 3.979 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532237 967490069 /nfs/dbraw/zinc/49/00/69/967490069.db2.gz QDAPDJCLCGZMHA-OYRHEFFESA-N 2 2 411.594 3.531 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532237 967490076 /nfs/dbraw/zinc/49/00/76/967490076.db2.gz QDAPDJCLCGZMHA-OYRHEFFESA-N 2 2 411.594 3.531 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065521737 967505371 /nfs/dbraw/zinc/50/53/71/967505371.db2.gz OYLITAYBSWXITB-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065521737 967505378 /nfs/dbraw/zinc/50/53/78/967505378.db2.gz OYLITAYBSWXITB-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP CC1CC[NH+](Cc2csc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000047304563 968131732 /nfs/dbraw/zinc/13/17/32/968131732.db2.gz HVTVGKCTYFERHT-UHFFFAOYSA-N 2 2 412.603 4.226 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000538242042 1013789398 /nfs/dbraw/zinc/78/93/98/1013789398.db2.gz GJLVRYICCXHANZ-MRXNPFEDSA-N 2 2 421.463 3.827 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000538250344 1013794491 /nfs/dbraw/zinc/79/44/91/1013794491.db2.gz LGKNJJBXAQDHDX-QFIPXVFZSA-N 2 2 413.566 3.874 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000538250344 1013794495 /nfs/dbraw/zinc/79/44/95/1013794495.db2.gz LGKNJJBXAQDHDX-QFIPXVFZSA-N 2 2 413.566 3.874 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000048084051 968415191 /nfs/dbraw/zinc/41/51/91/968415191.db2.gz YJOGQQJYWZQQHR-WOJBJXKFSA-N 2 2 416.610 3.880 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000048084051 968415195 /nfs/dbraw/zinc/41/51/95/968415195.db2.gz YJOGQQJYWZQQHR-WOJBJXKFSA-N 2 2 416.610 3.880 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000048110666 968434462 /nfs/dbraw/zinc/43/44/62/968434462.db2.gz ZJRLAYMOTRLGQC-UHFFFAOYSA-N 2 2 409.578 3.713 20 0 HHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109545485 969530829 /nfs/dbraw/zinc/53/08/29/969530829.db2.gz DMNIYSJGAUAIPP-HNNXBMFYSA-N 2 2 414.377 3.755 20 0 HHADLP c1ccc2c(c1)[nH+]c(NC1CC[NH+](C3CC3)CC1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000110891595 969735834 /nfs/dbraw/zinc/73/58/34/969735834.db2.gz MLFIXCQFUHQIAX-UHFFFAOYSA-N 3 2 406.578 3.707 20 0 HHADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000111041762 969765121 /nfs/dbraw/zinc/76/51/21/969765121.db2.gz RYZFHBYFKMSZLM-RUZDIDTESA-N 2 2 422.617 3.523 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000112681047 969824214 /nfs/dbraw/zinc/82/42/14/969824214.db2.gz OMJGGVGFSHHBFK-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1Cl ZINC000112681047 969824217 /nfs/dbraw/zinc/82/42/17/969824217.db2.gz OMJGGVGFSHHBFK-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000112680711 969824410 /nfs/dbraw/zinc/82/44/10/969824410.db2.gz BSUZUMXBDGBKCW-UHFFFAOYSA-N 2 2 422.017 3.820 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000112680711 969824416 /nfs/dbraw/zinc/82/44/16/969824416.db2.gz BSUZUMXBDGBKCW-UHFFFAOYSA-N 2 2 422.017 3.820 20 0 HHADLP Cc1ccc(N2CCC(C(=O)Nc3ccccc3C[NH+]3CCSCC3)CC2)[nH+]c1 ZINC000195744318 969996524 /nfs/dbraw/zinc/99/65/24/969996524.db2.gz ASEJKZQHFKJGAU-UHFFFAOYSA-N 2 2 410.587 3.794 20 0 HHADLP CC1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000215989605 970059608 /nfs/dbraw/zinc/05/96/08/970059608.db2.gz GTXIRQQEGWUORS-UHFFFAOYSA-N 2 2 413.610 3.603 20 0 HHADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000216583634 970078671 /nfs/dbraw/zinc/07/86/71/970078671.db2.gz URIKSVGOLBOUMG-SPEDKVCISA-N 2 2 419.635 3.616 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236717895 970161696 /nfs/dbraw/zinc/16/16/96/970161696.db2.gz LHGJLPLSJCUBBZ-OAQYLSRUSA-N 2 2 410.587 3.783 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000554461336 1013957544 /nfs/dbraw/zinc/95/75/44/1013957544.db2.gz ABVMNJYWBVUJAB-SNRMKQJTSA-N 2 2 406.958 3.964 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1ccccc1 ZINC000554466263 1013959375 /nfs/dbraw/zinc/95/93/75/1013959375.db2.gz XPDYQLKZNLRSHZ-IFMALSPDSA-N 2 2 404.518 3.531 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1ccccc1 ZINC000554466263 1013959381 /nfs/dbraw/zinc/95/93/81/1013959381.db2.gz XPDYQLKZNLRSHZ-IFMALSPDSA-N 2 2 404.518 3.531 20 0 HHADLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCc1cccs1 ZINC000237156852 970232848 /nfs/dbraw/zinc/23/28/48/970232848.db2.gz PGIOZKGAAXQKEQ-QZTJIDSGSA-N 2 2 404.576 3.925 20 0 HHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237406477 970279696 /nfs/dbraw/zinc/27/96/96/970279696.db2.gz BWMIVJLWQYEBPG-IAGOWNOFSA-N 2 2 404.986 3.791 20 0 HHADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237821461 970374225 /nfs/dbraw/zinc/37/42/25/970374225.db2.gz WLZAKNUOFBJULG-UHFFFAOYSA-N 2 2 415.497 3.724 20 0 HHADLP Fc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237913026 970393295 /nfs/dbraw/zinc/39/32/95/970393295.db2.gz YHEUUPWPDSGWPB-UHFFFAOYSA-N 2 2 421.564 3.903 20 0 HHADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000238063962 970432237 /nfs/dbraw/zinc/43/22/37/970432237.db2.gz VFYNUHJSJAHYRM-UHFFFAOYSA-N 2 2 409.530 3.971 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2csc(-c3ccccc3F)n2)([NH+]2CCCCC2)CC1 ZINC000303958727 972543417 /nfs/dbraw/zinc/54/34/17/972543417.db2.gz LYJIRZTYMPHXGN-UHFFFAOYSA-N 2 2 416.566 3.629 20 0 HHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390878700 972832114 /nfs/dbraw/zinc/83/21/14/972832114.db2.gz SMKQOSYBKIZWQC-SFHVURJKSA-N 2 2 407.327 3.969 20 0 HHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390878700 972832124 /nfs/dbraw/zinc/83/21/24/972832124.db2.gz SMKQOSYBKIZWQC-SFHVURJKSA-N 2 2 407.327 3.969 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409488204 972938767 /nfs/dbraw/zinc/93/87/67/972938767.db2.gz VDAGTVFTWRKACF-UHFFFAOYSA-N 2 2 409.509 3.853 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000554842215 1014070931 /nfs/dbraw/zinc/07/09/31/1014070931.db2.gz SPTBZCWIVHDFAN-SFHVURJKSA-N 2 2 405.995 3.908 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000554842215 1014070935 /nfs/dbraw/zinc/07/09/35/1014070935.db2.gz SPTBZCWIVHDFAN-SFHVURJKSA-N 2 2 405.995 3.908 20 0 HHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842029 1014070965 /nfs/dbraw/zinc/07/09/65/1014070965.db2.gz CJZFYSNJRAMLLN-DEOSSOPVSA-N 2 2 421.585 3.865 20 0 HHADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842029 1014070969 /nfs/dbraw/zinc/07/09/69/1014070969.db2.gz CJZFYSNJRAMLLN-DEOSSOPVSA-N 2 2 421.585 3.865 20 0 HHADLP C[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000409716022 973190223 /nfs/dbraw/zinc/19/02/23/973190223.db2.gz JXAJWGVUOWBILY-YOEHRIQHSA-N 2 2 421.358 3.599 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410275314 973794672 /nfs/dbraw/zinc/79/46/72/973794672.db2.gz YEPYMFXENCJYKM-OAQYLSRUSA-N 2 2 424.614 3.788 20 0 HHADLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941986 974051017 /nfs/dbraw/zinc/05/10/17/974051017.db2.gz LCGCVWHUHBUYMG-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941986 974051039 /nfs/dbraw/zinc/05/10/39/974051039.db2.gz LCGCVWHUHBUYMG-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941986 974051043 /nfs/dbraw/zinc/05/10/43/974051043.db2.gz LCGCVWHUHBUYMG-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccc(OCC(F)(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941986 974051057 /nfs/dbraw/zinc/05/10/57/974051057.db2.gz LCGCVWHUHBUYMG-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCCOc1ccccc1Cl ZINC000425960372 974063782 /nfs/dbraw/zinc/06/37/82/974063782.db2.gz OBPAOTJGBFRREZ-KDURUIRLSA-N 2 2 416.949 3.800 20 0 HHADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCCOc1ccccc1Cl ZINC000425960372 974063792 /nfs/dbraw/zinc/06/37/92/974063792.db2.gz OBPAOTJGBFRREZ-KDURUIRLSA-N 2 2 416.949 3.800 20 0 HHADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCCOc1ccccc1Cl ZINC000425960372 974063797 /nfs/dbraw/zinc/06/37/97/974063797.db2.gz OBPAOTJGBFRREZ-KDURUIRLSA-N 2 2 416.949 3.800 20 0 HHADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCCOc1ccccc1Cl ZINC000425960372 974063805 /nfs/dbraw/zinc/06/38/05/974063805.db2.gz OBPAOTJGBFRREZ-KDURUIRLSA-N 2 2 416.949 3.800 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)n1 ZINC000425988797 974100404 /nfs/dbraw/zinc/10/04/04/974100404.db2.gz HNUCGIJTQNERHN-RUZDIDTESA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)n1 ZINC000425988797 974100408 /nfs/dbraw/zinc/10/04/08/974100408.db2.gz HNUCGIJTQNERHN-RUZDIDTESA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000425988797 974100413 /nfs/dbraw/zinc/10/04/13/974100413.db2.gz HNUCGIJTQNERHN-RUZDIDTESA-N 2 2 404.558 3.558 20 0 HHADLP Cc1cc(C)n(-c2ccc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000425988797 974100420 /nfs/dbraw/zinc/10/04/20/974100420.db2.gz HNUCGIJTQNERHN-RUZDIDTESA-N 2 2 404.558 3.558 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026100 974147478 /nfs/dbraw/zinc/14/74/78/974147478.db2.gz ZEPHJCCSYZGZQA-YADHBBJMSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426026100 974147482 /nfs/dbraw/zinc/14/74/82/974147482.db2.gz ZEPHJCCSYZGZQA-YADHBBJMSA-N 2 2 414.981 3.551 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426030708 974152422 /nfs/dbraw/zinc/15/24/22/974152422.db2.gz VDFCOTMUYWDAKD-WTIAFYNJSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426030708 974152426 /nfs/dbraw/zinc/15/24/26/974152426.db2.gz VDFCOTMUYWDAKD-WTIAFYNJSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426030704 974152594 /nfs/dbraw/zinc/15/25/94/974152594.db2.gz VDFCOTMUYWDAKD-OIBXWCBGSA-N 2 2 409.578 3.923 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426030704 974152596 /nfs/dbraw/zinc/15/25/96/974152596.db2.gz VDFCOTMUYWDAKD-OIBXWCBGSA-N 2 2 409.578 3.923 20 0 HHADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426041422 974164038 /nfs/dbraw/zinc/16/40/38/974164038.db2.gz FEYUMBRQMWPQPW-GOTSBHOMSA-N 2 2 403.530 3.673 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426047398 974168647 /nfs/dbraw/zinc/16/86/47/974168647.db2.gz GEKSKRLYRMZALN-JFSTXAPLSA-N 2 2 409.578 3.779 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426047398 974168652 /nfs/dbraw/zinc/16/86/52/974168652.db2.gz GEKSKRLYRMZALN-JFSTXAPLSA-N 2 2 409.578 3.779 20 0 HHADLP C[N@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251624 974346526 /nfs/dbraw/zinc/34/65/26/974346526.db2.gz MFKWULPIAQZSAI-DNQXCXABSA-N 2 2 417.557 3.933 20 0 HHADLP C[N@@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000426251624 974346531 /nfs/dbraw/zinc/34/65/31/974346531.db2.gz MFKWULPIAQZSAI-DNQXCXABSA-N 2 2 417.557 3.933 20 0 HHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775278 974651751 /nfs/dbraw/zinc/65/17/51/974651751.db2.gz ADZNQYZXVCFUEH-HSALFYBXSA-N 2 2 412.578 3.933 20 0 HHADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775278 974651755 /nfs/dbraw/zinc/65/17/55/974651755.db2.gz ADZNQYZXVCFUEH-HSALFYBXSA-N 2 2 412.578 3.933 20 0 HHADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(Br)cc1 ZINC000428529502 975823027 /nfs/dbraw/zinc/82/30/27/975823027.db2.gz AVBJGXIXCYNDRZ-SFHVURJKSA-N 2 2 400.320 3.576 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000429089313 976374943 /nfs/dbraw/zinc/37/49/43/976374943.db2.gz FNYWRYZKHWKGCP-MTNREXPMSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429089313 976374953 /nfs/dbraw/zinc/37/49/53/976374953.db2.gz FNYWRYZKHWKGCP-MTNREXPMSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000429089310 976375007 /nfs/dbraw/zinc/37/50/07/976375007.db2.gz FNYWRYZKHWKGCP-BULFRSBZSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429089310 976375019 /nfs/dbraw/zinc/37/50/19/976375019.db2.gz FNYWRYZKHWKGCP-BULFRSBZSA-N 2 2 422.013 3.903 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429420208 976698105 /nfs/dbraw/zinc/69/81/05/976698105.db2.gz CJVCATKQXRLDDI-HCYSDIRSSA-N 2 2 419.569 3.700 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429420208 976698109 /nfs/dbraw/zinc/69/81/09/976698109.db2.gz CJVCATKQXRLDDI-HCYSDIRSSA-N 2 2 419.569 3.700 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691954 976984679 /nfs/dbraw/zinc/98/46/79/976984679.db2.gz QANWBKFHZLFSFL-RCZVLFRGSA-N 2 2 408.542 3.790 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)C2)cc1 ZINC000429691954 976984686 /nfs/dbraw/zinc/98/46/86/976984686.db2.gz QANWBKFHZLFSFL-RCZVLFRGSA-N 2 2 408.542 3.790 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814547 977087457 /nfs/dbraw/zinc/08/74/57/977087457.db2.gz MHKLXOJOKYFEEV-OXQOHEQNSA-N 2 2 411.512 3.859 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814547 977087478 /nfs/dbraw/zinc/08/74/78/977087478.db2.gz MHKLXOJOKYFEEV-OXQOHEQNSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814547 977087496 /nfs/dbraw/zinc/08/74/96/977087496.db2.gz MHKLXOJOKYFEEV-OXQOHEQNSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814547 977087503 /nfs/dbraw/zinc/08/75/03/977087503.db2.gz MHKLXOJOKYFEEV-OXQOHEQNSA-N 2 2 411.512 3.859 20 0 HHADLP CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000430082642 977311902 /nfs/dbraw/zinc/31/19/02/977311902.db2.gz TYXZJDRQSBIRGB-UHFFFAOYSA-N 2 2 401.576 3.911 20 0 HHADLP CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000430082642 977311904 /nfs/dbraw/zinc/31/19/04/977311904.db2.gz TYXZJDRQSBIRGB-UHFFFAOYSA-N 2 2 401.576 3.911 20 0 HHADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430183691 977376975 /nfs/dbraw/zinc/37/69/75/977376975.db2.gz BODUVTSYKDJFRG-GOSISDBHSA-N 2 2 403.958 3.623 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430283155 977446424 /nfs/dbraw/zinc/44/64/24/977446424.db2.gz IPTZFRVIMKGCNO-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430283155 977446429 /nfs/dbraw/zinc/44/64/29/977446429.db2.gz IPTZFRVIMKGCNO-LEWJYISDSA-N 2 2 424.992 3.958 20 0 HHADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426249 977538882 /nfs/dbraw/zinc/53/88/82/977538882.db2.gz NHIHONIJFRXVKS-OALUTQOASA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430426249 977538886 /nfs/dbraw/zinc/53/88/86/977538886.db2.gz NHIHONIJFRXVKS-OALUTQOASA-N 2 2 417.985 3.869 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430549670 977626317 /nfs/dbraw/zinc/62/63/17/977626317.db2.gz NKYUZCRWUYJVLZ-QGZVFWFLSA-N 2 2 414.941 3.590 20 0 HHADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430947157 977907915 /nfs/dbraw/zinc/90/79/15/977907915.db2.gz ZMBHPUZJPLIFIY-UHFFFAOYSA-N 3 2 414.638 3.624 20 0 HHADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430947157 977907920 /nfs/dbraw/zinc/90/79/20/977907920.db2.gz ZMBHPUZJPLIFIY-UHFFFAOYSA-N 3 2 414.638 3.624 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431853983 978554041 /nfs/dbraw/zinc/55/40/41/978554041.db2.gz MBCCUFTZDIKHSF-NFBKMPQASA-N 2 2 402.542 3.643 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431853983 978554046 /nfs/dbraw/zinc/55/40/46/978554046.db2.gz MBCCUFTZDIKHSF-NFBKMPQASA-N 2 2 402.542 3.643 20 0 HHADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431858364 978555736 /nfs/dbraw/zinc/55/57/36/978555736.db2.gz CSCXVTMCXLZYAE-DEOSSOPVSA-N 2 2 416.569 3.845 20 0 HHADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431858364 978555739 /nfs/dbraw/zinc/55/57/39/978555739.db2.gz CSCXVTMCXLZYAE-DEOSSOPVSA-N 2 2 416.569 3.845 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Br)c2OC(F)F)CCCO1 ZINC000432344586 978769167 /nfs/dbraw/zinc/76/91/67/978769167.db2.gz DWHTWXLFFSWPAQ-CYBMUJFWSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Br)c2OC(F)F)CCCO1 ZINC000432344586 978769179 /nfs/dbraw/zinc/76/91/79/978769179.db2.gz DWHTWXLFFSWPAQ-CYBMUJFWSA-N 2 2 407.299 3.641 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000433347251 979252821 /nfs/dbraw/zinc/25/28/21/979252821.db2.gz LNXZGRSOZSGHRU-UHFFFAOYSA-N 2 2 406.555 3.661 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915481 979676958 /nfs/dbraw/zinc/67/69/58/979676958.db2.gz QDZYOHJPABPPGO-NBHGPNQESA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915481 979676965 /nfs/dbraw/zinc/67/69/65/979676965.db2.gz QDZYOHJPABPPGO-NBHGPNQESA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915481 979676971 /nfs/dbraw/zinc/67/69/71/979676971.db2.gz QDZYOHJPABPPGO-NBHGPNQESA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000433915481 979676976 /nfs/dbraw/zinc/67/69/76/979676976.db2.gz QDZYOHJPABPPGO-NBHGPNQESA-N 2 2 424.511 3.555 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433935180 979694120 /nfs/dbraw/zinc/69/41/20/979694120.db2.gz UJOXWEMKRLSQIA-IBGZPJMESA-N 2 2 401.599 3.763 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433935180 979694146 /nfs/dbraw/zinc/69/41/46/979694146.db2.gz UJOXWEMKRLSQIA-IBGZPJMESA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433998216 979746285 /nfs/dbraw/zinc/74/62/85/979746285.db2.gz VXSXHLNVPWROBJ-AUSIDOKSSA-N 2 2 408.546 3.819 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433998216 979746291 /nfs/dbraw/zinc/74/62/91/979746291.db2.gz VXSXHLNVPWROBJ-AUSIDOKSSA-N 2 2 408.546 3.819 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434188972 979954427 /nfs/dbraw/zinc/95/44/27/979954427.db2.gz LDEVZTZKFWOSIC-PKTZIBPZSA-N 2 2 422.573 3.717 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434188972 979954434 /nfs/dbraw/zinc/95/44/34/979954434.db2.gz LDEVZTZKFWOSIC-PKTZIBPZSA-N 2 2 422.573 3.717 20 0 HHADLP C[C@H]1CCC[C@](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)([NH+](C)C)C1 ZINC000434268750 980030238 /nfs/dbraw/zinc/03/02/38/980030238.db2.gz DHFMSMDNMJDYFP-MBSDFSHPSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434372170 980120008 /nfs/dbraw/zinc/12/00/08/980120008.db2.gz HEBFYNYUUCPZQN-LJQANCHMSA-N 2 2 409.578 3.629 20 0 HHADLP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000434622080 980303471 /nfs/dbraw/zinc/30/34/71/980303471.db2.gz AGIFOIXFWNZHCL-UHFFFAOYSA-N 2 2 412.603 3.941 20 0 HHADLP CCCOCc1ccccc1CNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689879 980342193 /nfs/dbraw/zinc/34/21/93/980342193.db2.gz YDOAQDNJXRPYCQ-UHFFFAOYSA-N 2 2 424.589 3.642 20 0 HHADLP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434751364 980378704 /nfs/dbraw/zinc/37/87/04/980378704.db2.gz FCAWTVVTYXBIOC-QGZVFWFLSA-N 2 2 424.545 3.521 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000435576532 980947696 /nfs/dbraw/zinc/94/76/96/980947696.db2.gz BLWMBNWJGYUMNU-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000435576532 980947699 /nfs/dbraw/zinc/94/76/99/980947699.db2.gz BLWMBNWJGYUMNU-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000435798072 981036381 /nfs/dbraw/zinc/03/63/81/981036381.db2.gz MARADSOFXHVRER-XZOQPEGZSA-N 2 2 414.569 3.727 20 0 HHADLP CN(C(=O)c1cn(C)c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000435798072 981036385 /nfs/dbraw/zinc/03/63/85/981036385.db2.gz MARADSOFXHVRER-XZOQPEGZSA-N 2 2 414.569 3.727 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436148290 981220877 /nfs/dbraw/zinc/22/08/77/981220877.db2.gz HPASHTPVIJFLEG-VQTJNVASSA-N 2 2 407.599 3.957 20 0 HHADLP CSc1c(F)cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436148290 981220883 /nfs/dbraw/zinc/22/08/83/981220883.db2.gz HPASHTPVIJFLEG-VQTJNVASSA-N 2 2 407.599 3.957 20 0 HHADLP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436203550 981248274 /nfs/dbraw/zinc/24/82/74/981248274.db2.gz ZIWWURBCOWOFSB-UHFFFAOYSA-N 2 2 408.546 3.860 20 0 HHADLP COCCC1(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CCCCC1 ZINC000436310861 981291901 /nfs/dbraw/zinc/29/19/01/981291901.db2.gz XMYXDPISULTUMS-UHFFFAOYSA-N 2 2 400.567 3.837 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436975037 981660220 /nfs/dbraw/zinc/66/02/20/981660220.db2.gz FXQDQMUBPFCQPH-GOTSBHOMSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436975037 981660223 /nfs/dbraw/zinc/66/02/23/981660223.db2.gz FXQDQMUBPFCQPH-GOTSBHOMSA-N 2 2 413.606 3.680 20 0 HHADLP C[C@@H](Sc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460501816 982291012 /nfs/dbraw/zinc/29/10/12/982291012.db2.gz PCHFYYATHXRELA-QGZVFWFLSA-N 2 2 410.027 3.887 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000437940166 982474229 /nfs/dbraw/zinc/47/42/29/982474229.db2.gz FFAJBWQKOQIJOT-UHFFFAOYSA-N 2 2 424.589 3.798 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000437940166 982474231 /nfs/dbraw/zinc/47/42/31/982474231.db2.gz FFAJBWQKOQIJOT-UHFFFAOYSA-N 2 2 424.589 3.798 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947624 982682994 /nfs/dbraw/zinc/68/29/94/982682994.db2.gz SGJPYNOBWDAYGP-PMACEKPBSA-N 2 2 410.389 3.772 20 0 HHADLP CCC(CC)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000460982243 982706387 /nfs/dbraw/zinc/70/63/87/982706387.db2.gz JFAJKMKOSOQYAD-QHCPKHFHSA-N 2 2 401.595 3.791 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC000461453996 983119838 /nfs/dbraw/zinc/11/98/38/983119838.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC000461453996 983119841 /nfs/dbraw/zinc/11/98/41/983119841.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC000461453996 983119845 /nfs/dbraw/zinc/11/98/45/983119845.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC000461453996 983119848 /nfs/dbraw/zinc/11/98/48/983119848.db2.gz HDEYQIOMOIWOKR-HKBOAZHASA-N 2 2 406.574 3.619 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ncc(Br)cn1 ZINC000438993985 983199871 /nfs/dbraw/zinc/19/98/71/983199871.db2.gz YDXUSYSQYXACIM-OAHLLOKOSA-N 2 2 404.356 3.934 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ncc(Br)cn1 ZINC000438993985 983199876 /nfs/dbraw/zinc/19/98/76/983199876.db2.gz YDXUSYSQYXACIM-OAHLLOKOSA-N 2 2 404.356 3.934 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574112 983456653 /nfs/dbraw/zinc/45/66/53/983456653.db2.gz QIVCPRGJUURCAS-ZCNNSNEGSA-N 2 2 404.562 3.991 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nnnn1-c1ccccc1 ZINC000439574112 983456656 /nfs/dbraw/zinc/45/66/56/983456656.db2.gz QIVCPRGJUURCAS-ZCNNSNEGSA-N 2 2 404.562 3.991 20 0 HHADLP CC(C)C1CCC([NH+]2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)CC1 ZINC000440162780 983665995 /nfs/dbraw/zinc/66/59/95/983665995.db2.gz JNYBIWKREIMYJT-UHFFFAOYSA-N 2 2 413.610 3.592 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710311 983863659 /nfs/dbraw/zinc/86/36/59/983863659.db2.gz GLGGCTRZWZDYFO-ZWKOTPCHSA-N 2 2 405.612 3.715 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710311 983863668 /nfs/dbraw/zinc/86/36/68/983863668.db2.gz GLGGCTRZWZDYFO-ZWKOTPCHSA-N 2 2 405.612 3.715 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C)c1 ZINC000440810367 983916567 /nfs/dbraw/zinc/91/65/67/983916567.db2.gz PEZYJZGIGJICQL-YADHBBJMSA-N 2 2 421.545 3.971 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441104415 984069746 /nfs/dbraw/zinc/06/97/46/984069746.db2.gz MMJNNEODGQLPGX-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441104415 984069749 /nfs/dbraw/zinc/06/97/49/984069749.db2.gz MMJNNEODGQLPGX-UHFFFAOYSA-N 2 2 400.489 3.671 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298649 984164810 /nfs/dbraw/zinc/16/48/10/984164810.db2.gz WIYCQBQGSDTRSR-YADHBBJMSA-N 2 2 413.562 3.851 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298649 984164812 /nfs/dbraw/zinc/16/48/12/984164812.db2.gz WIYCQBQGSDTRSR-YADHBBJMSA-N 2 2 413.562 3.851 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)c1 ZINC000441375953 984218094 /nfs/dbraw/zinc/21/80/94/984218094.db2.gz ZSFMUNKCNXLFCF-LAUBAEHRSA-N 2 2 423.492 3.707 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c(C)c1 ZINC000441382181 984221316 /nfs/dbraw/zinc/22/13/16/984221316.db2.gz IYLCKBULSKVMNV-SFTDATJTSA-N 2 2 410.468 3.915 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)c(C)c1 ZINC000441384286 984222301 /nfs/dbraw/zinc/22/23/01/984222301.db2.gz QTJOKOHDVFTNSE-VJBMBRPKSA-N 2 2 418.541 3.859 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c(C)c1 ZINC000441384283 984222529 /nfs/dbraw/zinc/22/25/29/984222529.db2.gz QTJOKOHDVFTNSE-PMOQBDJRSA-N 2 2 418.541 3.859 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400468 984232246 /nfs/dbraw/zinc/23/22/46/984232246.db2.gz GLGVGGUIWJZFOD-RYGJVYDSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400468 984232251 /nfs/dbraw/zinc/23/22/51/984232251.db2.gz GLGVGGUIWJZFOD-RYGJVYDSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400468 984232253 /nfs/dbraw/zinc/23/22/53/984232253.db2.gz GLGVGGUIWJZFOD-RYGJVYDSSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400468 984232257 /nfs/dbraw/zinc/23/22/57/984232257.db2.gz GLGVGGUIWJZFOD-RYGJVYDSSA-N 2 2 423.479 3.639 20 0 HHADLP CC[N@H+](C[C@@H](O)COc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441622324 984360842 /nfs/dbraw/zinc/36/08/42/984360842.db2.gz QKHINIIVKRCLCM-LJQANCHMSA-N 2 2 403.954 3.713 20 0 HHADLP CC[N@@H+](C[C@@H](O)COc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441622324 984360849 /nfs/dbraw/zinc/36/08/49/984360849.db2.gz QKHINIIVKRCLCM-LJQANCHMSA-N 2 2 403.954 3.713 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000442235820 984755848 /nfs/dbraw/zinc/75/58/48/984755848.db2.gz KKBHTAIAJDJCMF-VWNXMTODSA-N 2 2 419.573 3.713 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000442239490 984760590 /nfs/dbraw/zinc/76/05/90/984760590.db2.gz LGOJDZQPOUVWJP-GGAORHGYSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243898 984765147 /nfs/dbraw/zinc/76/51/47/984765147.db2.gz RTTRDUKKXQRRNV-JTHBVZDNSA-N 2 2 409.578 3.615 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000442243898 984765157 /nfs/dbraw/zinc/76/51/57/984765157.db2.gz RTTRDUKKXQRRNV-JTHBVZDNSA-N 2 2 409.578 3.615 20 0 HHADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000461798914 984785908 /nfs/dbraw/zinc/78/59/08/984785908.db2.gz UTNZHYYEQJYPQS-UHFFFAOYSA-N 3 2 406.618 3.973 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000462029664 985006321 /nfs/dbraw/zinc/00/63/21/985006321.db2.gz VVNHLCUZPXOSDX-LJQANCHMSA-N 2 2 401.576 3.897 20 0 HHADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1c[nH+]cn1C ZINC000462157520 985131416 /nfs/dbraw/zinc/13/14/16/985131416.db2.gz OSLXYBVHCXZRRS-UHFFFAOYSA-N 2 2 412.365 3.781 20 0 HHADLP Cc1cccc(N2CCC(NC(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)CC2)[nH+]1 ZINC000462173537 985152295 /nfs/dbraw/zinc/15/22/95/985152295.db2.gz DBSWPLNZGWBMMB-SFHVURJKSA-N 2 2 413.591 3.509 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462231127 985212514 /nfs/dbraw/zinc/21/25/14/985212514.db2.gz WVEPLJRZHOJECU-NHCUHLMSSA-N 2 2 422.564 3.757 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462231127 985212523 /nfs/dbraw/zinc/21/25/23/985212523.db2.gz WVEPLJRZHOJECU-NHCUHLMSSA-N 2 2 422.564 3.757 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261949 985249460 /nfs/dbraw/zinc/24/94/60/985249460.db2.gz YCWIBFABLYRMSC-YLJYHZDGSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000462261949 985249474 /nfs/dbraw/zinc/24/94/74/985249474.db2.gz YCWIBFABLYRMSC-YLJYHZDGSA-N 2 2 413.591 3.771 20 0 HHADLP CC[C@@]1(C)Oc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2O1 ZINC000443377575 985538209 /nfs/dbraw/zinc/53/82/09/985538209.db2.gz ZGHIKBSEXLMSFZ-QFIPXVFZSA-N 2 2 416.566 3.656 20 0 HHADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443566153 985739931 /nfs/dbraw/zinc/73/99/31/985739931.db2.gz KYJZHCPYDDWLCX-UHFFFAOYSA-N 2 2 411.977 3.727 20 0 HHADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443566153 985739940 /nfs/dbraw/zinc/73/99/40/985739940.db2.gz KYJZHCPYDDWLCX-UHFFFAOYSA-N 2 2 411.977 3.727 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000463241396 986209214 /nfs/dbraw/zinc/20/92/14/986209214.db2.gz FBAIBRWIYXQHRJ-MRXNPFEDSA-N 2 2 414.377 3.579 20 0 HHADLP CCn1ccnc1[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000463253369 986221506 /nfs/dbraw/zinc/22/15/06/986221506.db2.gz DPTRCHZKUFOPQE-HSZRJFAPSA-N 2 2 414.569 3.807 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468532012 986237537 /nfs/dbraw/zinc/23/75/37/986237537.db2.gz OPUJZATTZSYNGB-HXUWFJFHSA-N 2 2 410.553 3.719 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468532012 986237549 /nfs/dbraw/zinc/23/75/49/986237549.db2.gz OPUJZATTZSYNGB-HXUWFJFHSA-N 2 2 410.553 3.719 20 0 HHADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000463280460 986247728 /nfs/dbraw/zinc/24/77/28/986247728.db2.gz RSFBZSUIMMHDEP-OAQYLSRUSA-N 2 2 403.929 3.692 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]c2ccccc2n1CCc1ccccn1 ZINC000463531812 986508397 /nfs/dbraw/zinc/50/83/97/986508397.db2.gz KLFYWARWNWNRFF-UHFFFAOYSA-N 2 2 409.497 4.175 20 0 HHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000468866735 986574878 /nfs/dbraw/zinc/57/48/78/986574878.db2.gz FGQWGDDAXNQWFV-KDURUIRLSA-N 2 2 413.562 3.646 20 0 HHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000468866735 986574896 /nfs/dbraw/zinc/57/48/96/986574896.db2.gz FGQWGDDAXNQWFV-KDURUIRLSA-N 2 2 413.562 3.646 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000469123596 986841554 /nfs/dbraw/zinc/84/15/54/986841554.db2.gz VPJSIPNXBXEKGH-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000469123596 986841577 /nfs/dbraw/zinc/84/15/77/986841577.db2.gz VPJSIPNXBXEKGH-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700206 986875100 /nfs/dbraw/zinc/87/51/00/986875100.db2.gz FONYTCLCQOXXMO-KRWDZBQOSA-N 2 2 401.501 3.566 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444700206 986875114 /nfs/dbraw/zinc/87/51/14/986875114.db2.gz FONYTCLCQOXXMO-KRWDZBQOSA-N 2 2 401.501 3.566 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469186203 986911361 /nfs/dbraw/zinc/91/13/61/986911361.db2.gz QCDPLGBHKJFESA-QHCPKHFHSA-N 2 2 408.546 3.821 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469198051 986922027 /nfs/dbraw/zinc/92/20/27/986922027.db2.gz VWUUMOMAZCCAMT-XXBNENTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469198051 986922040 /nfs/dbraw/zinc/92/20/40/986922040.db2.gz VWUUMOMAZCCAMT-XXBNENTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794035 986949148 /nfs/dbraw/zinc/94/91/48/986949148.db2.gz IWPSSWOGADTAGI-DENIHFKCSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444794035 986949153 /nfs/dbraw/zinc/94/91/53/986949153.db2.gz IWPSSWOGADTAGI-DENIHFKCSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794038 986949282 /nfs/dbraw/zinc/94/92/82/986949282.db2.gz IWPSSWOGADTAGI-UGKGYDQZSA-N 2 2 402.542 3.894 20 0 HHADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444794038 986949291 /nfs/dbraw/zinc/94/92/91/986949291.db2.gz IWPSSWOGADTAGI-UGKGYDQZSA-N 2 2 402.542 3.894 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802042 986957462 /nfs/dbraw/zinc/95/74/62/986957462.db2.gz LTVCCTPZCYARDA-UNMCSNQZSA-N 2 2 410.562 3.752 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802042 986957470 /nfs/dbraw/zinc/95/74/70/986957470.db2.gz LTVCCTPZCYARDA-UNMCSNQZSA-N 2 2 410.562 3.752 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803186 986958670 /nfs/dbraw/zinc/95/86/70/986958670.db2.gz YXCNSDZMOFHSMN-GJZGRUSLSA-N 2 2 405.340 3.698 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803186 986958675 /nfs/dbraw/zinc/95/86/75/986958675.db2.gz YXCNSDZMOFHSMN-GJZGRUSLSA-N 2 2 405.340 3.698 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000444843442 987002320 /nfs/dbraw/zinc/00/23/20/987002320.db2.gz BKUUXNPTNVXZPZ-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000444843442 987002330 /nfs/dbraw/zinc/00/23/30/987002330.db2.gz BKUUXNPTNVXZPZ-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP COc1cccc([C@H](C)CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000469304042 987018658 /nfs/dbraw/zinc/01/86/58/987018658.db2.gz ZPONOIRLIDIQOL-LJQANCHMSA-N 2 2 401.595 3.644 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011552 987142800 /nfs/dbraw/zinc/14/28/00/987142800.db2.gz MXMRDSWTDBMKFY-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000445011552 987142803 /nfs/dbraw/zinc/14/28/03/987142803.db2.gz MXMRDSWTDBMKFY-VQTJNVASSA-N 2 2 406.546 3.635 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000469791690 987435632 /nfs/dbraw/zinc/43/56/32/987435632.db2.gz QKEOLHWFPIDNBG-MOJGAOKDSA-N 2 2 418.578 3.736 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000469791690 987435641 /nfs/dbraw/zinc/43/56/41/987435641.db2.gz QKEOLHWFPIDNBG-MOJGAOKDSA-N 2 2 418.578 3.736 20 0 HHADLP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000469793668 987437399 /nfs/dbraw/zinc/43/73/99/987437399.db2.gz IEJLIQCQNFYFFT-MSOLQXFVSA-N 2 2 410.653 3.967 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000469865993 987503207 /nfs/dbraw/zinc/50/32/07/987503207.db2.gz WZEJVQFULNHJCP-OFNKIYASSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938102 989006809 /nfs/dbraw/zinc/00/68/09/989006809.db2.gz SGHFZGNZIKZOHB-KYJSFNMBSA-N 2 2 417.903 3.866 20 0 HHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000470938102 989006814 /nfs/dbraw/zinc/00/68/14/989006814.db2.gz SGHFZGNZIKZOHB-KYJSFNMBSA-N 2 2 417.903 3.866 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nc(C)cs1 ZINC000464802861 989031283 /nfs/dbraw/zinc/03/12/83/989031283.db2.gz SFEWODYQLWGEEP-OAQYLSRUSA-N 2 2 418.632 3.854 20 0 HHADLP CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805245 989035735 /nfs/dbraw/zinc/03/57/35/989035735.db2.gz LWMJXWXTGGTNSI-HXUWFJFHSA-N 2 2 403.954 3.713 20 0 HHADLP CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805245 989035748 /nfs/dbraw/zinc/03/57/48/989035748.db2.gz LWMJXWXTGGTNSI-HXUWFJFHSA-N 2 2 403.954 3.713 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806151 989037209 /nfs/dbraw/zinc/03/72/09/989037209.db2.gz CIWXYTUAKKRDSU-IBGZPJMESA-N 2 2 410.562 3.506 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806151 989037220 /nfs/dbraw/zinc/03/72/20/989037220.db2.gz CIWXYTUAKKRDSU-IBGZPJMESA-N 2 2 410.562 3.506 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806761 989038294 /nfs/dbraw/zinc/03/82/94/989038294.db2.gz QPZDNGMUMDFZFG-UHFFFAOYSA-N 2 2 416.953 3.921 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806761 989038308 /nfs/dbraw/zinc/03/83/08/989038308.db2.gz QPZDNGMUMDFZFG-UHFFFAOYSA-N 2 2 416.953 3.921 20 0 HHADLP CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807654 989040014 /nfs/dbraw/zinc/04/00/14/989040014.db2.gz IAYTZRCBLCVSPW-QHCPKHFHSA-N 2 2 406.574 3.814 20 0 HHADLP CC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807654 989040029 /nfs/dbraw/zinc/04/00/29/989040029.db2.gz IAYTZRCBLCVSPW-QHCPKHFHSA-N 2 2 406.574 3.814 20 0 HHADLP CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810611 989045187 /nfs/dbraw/zinc/04/51/87/989045187.db2.gz QTEFVKZWPHBKRH-UHFFFAOYSA-N 2 2 400.954 3.590 20 0 HHADLP CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810611 989045200 /nfs/dbraw/zinc/04/52/00/989045200.db2.gz QTEFVKZWPHBKRH-UHFFFAOYSA-N 2 2 400.954 3.590 20 0 HHADLP CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811597 989046810 /nfs/dbraw/zinc/04/68/10/989046810.db2.gz RNNMNWYOAAXWFP-JOCHJYFZSA-N 2 2 421.589 3.648 20 0 HHADLP CC[N@@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811597 989046829 /nfs/dbraw/zinc/04/68/29/989046829.db2.gz RNNMNWYOAAXWFP-JOCHJYFZSA-N 2 2 421.589 3.648 20 0 HHADLP Cc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c(C)c1 ZINC000471008003 989077087 /nfs/dbraw/zinc/07/70/87/989077087.db2.gz RWUQEKVCYAIUQG-QFIPXVFZSA-N 2 2 407.558 3.564 20 0 HHADLP Cc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)c(C)c1 ZINC000471008003 989077105 /nfs/dbraw/zinc/07/71/05/989077105.db2.gz RWUQEKVCYAIUQG-QFIPXVFZSA-N 2 2 407.558 3.564 20 0 HHADLP C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464849890 989102792 /nfs/dbraw/zinc/10/27/92/989102792.db2.gz ZOQSVUYOBBFHCK-LJQANCHMSA-N 2 2 423.479 3.624 20 0 HHADLP C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464849890 989102798 /nfs/dbraw/zinc/10/27/98/989102798.db2.gz ZOQSVUYOBBFHCK-LJQANCHMSA-N 2 2 423.479 3.624 20 0 HHADLP C[NH+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849890 989102801 /nfs/dbraw/zinc/10/28/01/989102801.db2.gz ZOQSVUYOBBFHCK-LJQANCHMSA-N 2 2 423.479 3.624 20 0 HHADLP C[NH+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464849890 989102804 /nfs/dbraw/zinc/10/28/04/989102804.db2.gz ZOQSVUYOBBFHCK-LJQANCHMSA-N 2 2 423.479 3.624 20 0 HHADLP C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464856265 989110406 /nfs/dbraw/zinc/11/04/06/989110406.db2.gz URCOSXISSZLSED-AREMUKBSSA-N 2 2 419.613 3.922 20 0 HHADLP C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464856265 989110412 /nfs/dbraw/zinc/11/04/12/989110412.db2.gz URCOSXISSZLSED-AREMUKBSSA-N 2 2 419.613 3.922 20 0 HHADLP C[NH+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464856265 989110421 /nfs/dbraw/zinc/11/04/21/989110421.db2.gz URCOSXISSZLSED-AREMUKBSSA-N 2 2 419.613 3.922 20 0 HHADLP C[NH+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464856265 989110427 /nfs/dbraw/zinc/11/04/27/989110427.db2.gz URCOSXISSZLSED-AREMUKBSSA-N 2 2 419.613 3.922 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465513584 989864686 /nfs/dbraw/zinc/86/46/86/989864686.db2.gz IMALHQQRMKMUSB-NRFANRHFSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000465513584 989864701 /nfs/dbraw/zinc/86/47/01/989864701.db2.gz IMALHQQRMKMUSB-NRFANRHFSA-N 2 2 417.557 3.737 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000465586741 989961609 /nfs/dbraw/zinc/96/16/09/989961609.db2.gz BNAVMOQTQAQUDY-OAQYLSRUSA-N 2 2 415.626 3.984 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000465586741 989961616 /nfs/dbraw/zinc/96/16/16/989961616.db2.gz BNAVMOQTQAQUDY-OAQYLSRUSA-N 2 2 415.626 3.984 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccc(C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000465769369 990153567 /nfs/dbraw/zinc/15/35/67/990153567.db2.gz GTTGHFXRBLEHHX-UHFFFAOYSA-N 2 2 400.611 3.734 20 0 HHADLP CC(C)CCOc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000465811180 990194392 /nfs/dbraw/zinc/19/43/92/990194392.db2.gz MBPQYTNOPBNAIP-UHFFFAOYSA-N 2 2 402.583 3.792 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000465811418 990194472 /nfs/dbraw/zinc/19/44/72/990194472.db2.gz LAURJRSDOFWRSF-HSZRJFAPSA-N 2 2 423.605 3.941 20 0 HHADLP CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465822897 990205897 /nfs/dbraw/zinc/20/58/97/990205897.db2.gz ZZTUDTDOKUMZDG-JOCHJYFZSA-N 2 2 400.611 3.516 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000465857976 990968454 /nfs/dbraw/zinc/96/84/54/990968454.db2.gz ILPPHUXAQQWLME-QGZVFWFLSA-N 2 2 421.655 3.751 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000465879573 990998006 /nfs/dbraw/zinc/99/80/06/990998006.db2.gz UNDLLBHCDAEKNA-NRFANRHFSA-N 2 2 417.985 3.979 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1cccs1 ZINC000466074821 991249249 /nfs/dbraw/zinc/24/92/49/991249249.db2.gz GWRWYJPGOGSCOG-YLJYHZDGSA-N 2 2 418.632 3.720 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1cccs1 ZINC000466074821 991249253 /nfs/dbraw/zinc/24/92/53/991249253.db2.gz GWRWYJPGOGSCOG-YLJYHZDGSA-N 2 2 418.632 3.720 20 0 HHADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Br ZINC000466138054 991319888 /nfs/dbraw/zinc/31/98/88/991319888.db2.gz GFFZNDVJJRHPIH-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP CC[C@@H](C)Oc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466149481 991333175 /nfs/dbraw/zinc/33/31/75/991333175.db2.gz WIMGUNBNACMBAF-LJQANCHMSA-N 2 2 402.583 3.936 20 0 HHADLP CCOc1ccc(OCC)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466151234 991336858 /nfs/dbraw/zinc/33/68/58/991336858.db2.gz AEVMHZCAJCFZHO-UHFFFAOYSA-N 2 2 418.582 3.556 20 0 HHADLP C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154276 991340758 /nfs/dbraw/zinc/34/07/58/991340758.db2.gz OOVHCGNBWURAMM-QGZVFWFLSA-N 2 2 408.537 3.618 20 0 HHADLP CCN(Cc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156303 991342856 /nfs/dbraw/zinc/34/28/56/991342856.db2.gz ACJCKUGWVSPMSC-UHFFFAOYSA-N 2 2 407.002 3.822 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467092161 992397992 /nfs/dbraw/zinc/39/79/92/992397992.db2.gz CGARODMNFXOYCB-UHFFFAOYSA-N 2 2 423.605 3.634 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000467168266 992486476 /nfs/dbraw/zinc/48/64/76/992486476.db2.gz HRGBCUIYGRRTFZ-UHFFFAOYSA-N 2 2 422.620 3.633 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404814 992711932 /nfs/dbraw/zinc/71/19/32/992711932.db2.gz DASXQBRFJICYNQ-GCJKJVERSA-N 2 2 414.981 3.572 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404814 992711936 /nfs/dbraw/zinc/71/19/36/992711936.db2.gz DASXQBRFJICYNQ-GCJKJVERSA-N 2 2 414.981 3.572 20 0 HHADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)C2)cc1Cl ZINC000467442772 992739820 /nfs/dbraw/zinc/73/98/20/992739820.db2.gz OKRYHIKKZBOKDC-UAPYVXQJSA-N 2 2 412.405 3.626 20 0 HHADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000472158524 993208967 /nfs/dbraw/zinc/20/89/67/993208967.db2.gz OKHSWFHNHHQHSI-KRWDZBQOSA-N 2 2 420.488 3.956 20 0 HHADLP CC(C)OCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472160513 993210315 /nfs/dbraw/zinc/21/03/15/993210315.db2.gz SWGZZXNYHRZZEZ-HXUWFJFHSA-N 2 2 402.501 3.778 20 0 HHADLP CC(C)OCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000472160513 993210319 /nfs/dbraw/zinc/21/03/19/993210319.db2.gz SWGZZXNYHRZZEZ-HXUWFJFHSA-N 2 2 402.501 3.778 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000472266685 993289651 /nfs/dbraw/zinc/28/96/51/993289651.db2.gz VOHCYJQPRWQOLG-HNNXBMFYSA-N 2 2 421.891 3.730 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000472266685 993289660 /nfs/dbraw/zinc/28/96/60/993289660.db2.gz VOHCYJQPRWQOLG-HNNXBMFYSA-N 2 2 421.891 3.730 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267899 993291127 /nfs/dbraw/zinc/29/11/27/993291127.db2.gz KDESKEYJAQRKQN-UYAOXDASSA-N 2 2 422.639 3.630 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000472267899 993291132 /nfs/dbraw/zinc/29/11/32/993291132.db2.gz KDESKEYJAQRKQN-UYAOXDASSA-N 2 2 422.639 3.630 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462781 993464647 /nfs/dbraw/zinc/46/46/47/993464647.db2.gz IIYIRACGVHCEIW-UGKGYDQZSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2c1 ZINC000472462781 993464657 /nfs/dbraw/zinc/46/46/57/993464657.db2.gz IIYIRACGVHCEIW-UGKGYDQZSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462781 993464661 /nfs/dbraw/zinc/46/46/61/993464661.db2.gz IIYIRACGVHCEIW-UGKGYDQZSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc2c1 ZINC000472462781 993464668 /nfs/dbraw/zinc/46/46/68/993464668.db2.gz IIYIRACGVHCEIW-UGKGYDQZSA-N 2 2 423.601 3.859 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1OC ZINC000480769560 993634789 /nfs/dbraw/zinc/63/47/89/993634789.db2.gz IFPMJZQIPHATHJ-HUUCEWRRSA-N 2 2 400.548 3.995 20 0 HHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769945 993635087 /nfs/dbraw/zinc/63/50/87/993635087.db2.gz YTODQMCRTNWKEE-ROUUACIJSA-N 2 2 404.580 3.624 20 0 HHADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480776557 993642394 /nfs/dbraw/zinc/64/23/94/993642394.db2.gz CLDHBBKXHORXKV-FQEVSTJZSA-N 2 2 421.511 3.618 20 0 HHADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000480914195 993769459 /nfs/dbraw/zinc/76/94/59/993769459.db2.gz URWZLXGGBZNMIH-JOCHJYFZSA-N 2 2 417.500 3.867 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855705 993787331 /nfs/dbraw/zinc/78/73/31/993787331.db2.gz MQTPVZOPCJEMLQ-GDBMZVCRSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855705 993787338 /nfs/dbraw/zinc/78/73/38/993787338.db2.gz MQTPVZOPCJEMLQ-GDBMZVCRSA-N 2 2 424.376 3.816 20 0 HHADLP C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473009640 993934105 /nfs/dbraw/zinc/93/41/05/993934105.db2.gz MOPGNNSARBGLJG-JTHBVZDNSA-N 2 2 412.622 3.599 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174375 994005007 /nfs/dbraw/zinc/00/50/07/994005007.db2.gz IZDYEGCRNAWWLV-HKUYNNGSSA-N 2 2 408.571 3.759 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000481174375 994005014 /nfs/dbraw/zinc/00/50/14/994005014.db2.gz IZDYEGCRNAWWLV-HKUYNNGSSA-N 2 2 408.571 3.759 20 0 HHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1OC ZINC000481186559 994018129 /nfs/dbraw/zinc/01/81/29/994018129.db2.gz DMFXVXKOHBUUGW-IBGZPJMESA-N 2 2 414.546 3.574 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196444 994030288 /nfs/dbraw/zinc/03/02/88/994030288.db2.gz ZEBRKUMTXPDKAB-IHFIDZABSA-N 2 2 409.574 3.761 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481196444 994030297 /nfs/dbraw/zinc/03/02/97/994030297.db2.gz ZEBRKUMTXPDKAB-IHFIDZABSA-N 2 2 409.574 3.761 20 0 HHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000481199877 994033733 /nfs/dbraw/zinc/03/37/33/994033733.db2.gz FWZGDPVANKKKKQ-QFIPXVFZSA-N 2 2 408.542 3.934 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481411200 994244947 /nfs/dbraw/zinc/24/49/47/994244947.db2.gz DRQHDVUCWLCTRG-QGZVFWFLSA-N 2 2 412.559 3.800 20 0 HHADLP COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000481581464 994420679 /nfs/dbraw/zinc/42/06/79/994420679.db2.gz WUQSSSVZDFJHSH-DEOSSOPVSA-N 2 2 410.558 3.590 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583351 994424398 /nfs/dbraw/zinc/42/43/98/994424398.db2.gz QFGLRLXHMIVZGL-WOJBJXKFSA-N 2 2 419.573 3.956 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583351 994424413 /nfs/dbraw/zinc/42/44/13/994424413.db2.gz QFGLRLXHMIVZGL-WOJBJXKFSA-N 2 2 419.573 3.956 20 0 HHADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000473945457 994923113 /nfs/dbraw/zinc/92/31/13/994923113.db2.gz DLLDZKQFDDEWCD-UHFFFAOYSA-N 2 2 417.557 3.834 20 0 HHADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000473945457 994923123 /nfs/dbraw/zinc/92/31/23/994923123.db2.gz DLLDZKQFDDEWCD-UHFFFAOYSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000473948299 994925562 /nfs/dbraw/zinc/92/55/62/994925562.db2.gz HPVYJGLIVPPZFE-WOJBJXKFSA-N 2 2 417.557 3.828 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482038697 994958495 /nfs/dbraw/zinc/95/84/95/994958495.db2.gz ZKZIQKOHUHTRCJ-BEFAXECRSA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482038697 994958506 /nfs/dbraw/zinc/95/85/06/994958506.db2.gz ZKZIQKOHUHTRCJ-BEFAXECRSA-N 2 2 418.582 3.851 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050085 994974680 /nfs/dbraw/zinc/97/46/80/994974680.db2.gz QPGCZBQISMWCKS-DNQXCXABSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050085 994974684 /nfs/dbraw/zinc/97/46/84/994974684.db2.gz QPGCZBQISMWCKS-DNQXCXABSA-N 2 2 409.574 3.511 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000482137444 995087972 /nfs/dbraw/zinc/08/79/72/995087972.db2.gz ASJWETZFBRBKCL-ICSRJNTNSA-N 2 2 400.592 3.899 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000482199740 995178866 /nfs/dbraw/zinc/17/88/66/995178866.db2.gz PLXQLNOOAILPHE-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325483 995307738 /nfs/dbraw/zinc/30/77/38/995307738.db2.gz IOEKWFDCFVOKID-WOJBJXKFSA-N 2 2 401.551 3.805 20 0 HHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325483 995307744 /nfs/dbraw/zinc/30/77/44/995307744.db2.gz IOEKWFDCFVOKID-WOJBJXKFSA-N 2 2 401.551 3.805 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474644038 995588807 /nfs/dbraw/zinc/58/88/07/995588807.db2.gz KKIYODUUQUVGKD-MSPDOKBZSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474644038 995588811 /nfs/dbraw/zinc/58/88/11/995588811.db2.gz KKIYODUUQUVGKD-MSPDOKBZSA-N 2 2 424.511 3.555 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000474789168 995711670 /nfs/dbraw/zinc/71/16/70/995711670.db2.gz VNFZSSORPOBVLV-DYESRHJHSA-N 2 2 422.573 3.742 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)CC2 ZINC000474789168 995711678 /nfs/dbraw/zinc/71/16/78/995711678.db2.gz VNFZSSORPOBVLV-DYESRHJHSA-N 2 2 422.573 3.742 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474907492 995793069 /nfs/dbraw/zinc/79/30/69/995793069.db2.gz LZIYDZKFLYOIQH-UHFFFAOYSA-N 2 2 416.472 3.982 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885225 995816870 /nfs/dbraw/zinc/81/68/70/995816870.db2.gz DOTGZFFCKNIUIJ-FPGHNAPASA-N 2 2 414.544 3.824 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000482885225 995816878 /nfs/dbraw/zinc/81/68/78/995816878.db2.gz DOTGZFFCKNIUIJ-FPGHNAPASA-N 2 2 414.544 3.824 20 0 HHADLP CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475173988 995971232 /nfs/dbraw/zinc/97/12/32/995971232.db2.gz KDZHNHYCAHZBNW-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475173988 995971238 /nfs/dbraw/zinc/97/12/38/995971238.db2.gz KDZHNHYCAHZBNW-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)C2 ZINC000475519188 996197113 /nfs/dbraw/zinc/19/71/13/996197113.db2.gz FRISXZSEAWQGFN-NRFANRHFSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)C2 ZINC000475519188 996197116 /nfs/dbraw/zinc/19/71/16/996197116.db2.gz FRISXZSEAWQGFN-NRFANRHFSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)CC2 ZINC000475519188 996197120 /nfs/dbraw/zinc/19/71/20/996197120.db2.gz FRISXZSEAWQGFN-NRFANRHFSA-N 2 2 408.590 3.805 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)CC2 ZINC000475519188 996197123 /nfs/dbraw/zinc/19/71/23/996197123.db2.gz FRISXZSEAWQGFN-NRFANRHFSA-N 2 2 408.590 3.805 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470073 996200375 /nfs/dbraw/zinc/20/03/75/996200375.db2.gz FTNRZCURFVRVKB-OFNKIYASSA-N 2 2 401.570 3.903 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470073 996200381 /nfs/dbraw/zinc/20/03/81/996200381.db2.gz FTNRZCURFVRVKB-OFNKIYASSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470073 996200386 /nfs/dbraw/zinc/20/03/86/996200386.db2.gz FTNRZCURFVRVKB-OFNKIYASSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@@H]21 ZINC000483470073 996200390 /nfs/dbraw/zinc/20/03/90/996200390.db2.gz FTNRZCURFVRVKB-OFNKIYASSA-N 2 2 401.570 3.903 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470817 996201007 /nfs/dbraw/zinc/20/10/07/996201007.db2.gz HEQWYXXKXMWSMR-DQEYMECFSA-N 2 2 405.586 3.674 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470817 996201010 /nfs/dbraw/zinc/20/10/10/996201010.db2.gz HEQWYXXKXMWSMR-DQEYMECFSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470817 996201020 /nfs/dbraw/zinc/20/10/20/996201020.db2.gz HEQWYXXKXMWSMR-DQEYMECFSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000483470817 996201023 /nfs/dbraw/zinc/20/10/23/996201023.db2.gz HEQWYXXKXMWSMR-DQEYMECFSA-N 2 2 405.586 3.674 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475693 996204264 /nfs/dbraw/zinc/20/42/64/996204264.db2.gz OMMMMXPDQLJBBC-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475693 996204270 /nfs/dbraw/zinc/20/42/70/996204270.db2.gz OMMMMXPDQLJBBC-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475693 996204277 /nfs/dbraw/zinc/20/42/77/996204277.db2.gz OMMMMXPDQLJBBC-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475693 996204280 /nfs/dbraw/zinc/20/42/80/996204280.db2.gz OMMMMXPDQLJBBC-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000483625154 996293806 /nfs/dbraw/zinc/29/38/06/996293806.db2.gz YTNIXMTXNVKWJC-FQEVSTJZSA-N 2 2 401.599 3.594 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732723 996331959 /nfs/dbraw/zinc/33/19/59/996331959.db2.gz RCOQVJONAYFMJR-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475732723 996331963 /nfs/dbraw/zinc/33/19/63/996331963.db2.gz RCOQVJONAYFMJR-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475732723 996331975 /nfs/dbraw/zinc/33/19/75/996331975.db2.gz RCOQVJONAYFMJR-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475732723 996331981 /nfs/dbraw/zinc/33/19/81/996331981.db2.gz RCOQVJONAYFMJR-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475820446 996392587 /nfs/dbraw/zinc/39/25/87/996392587.db2.gz VHCVOVOTDOUNGY-UXHICEINSA-N 2 2 404.599 3.591 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475820446 996392593 /nfs/dbraw/zinc/39/25/93/996392593.db2.gz VHCVOVOTDOUNGY-UXHICEINSA-N 2 2 404.599 3.591 20 0 HHADLP Cc1csc(-c2cccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000483897296 996455645 /nfs/dbraw/zinc/45/56/45/996455645.db2.gz QHZFZCRBBJZSAN-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccnc(Oc4ccccc4)c3)CC2)CC1 ZINC000483925772 996472756 /nfs/dbraw/zinc/47/27/56/996472756.db2.gz CAXSVKHIBJBKJH-UHFFFAOYSA-N 2 2 409.534 3.554 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000476040677 996560467 /nfs/dbraw/zinc/56/04/67/996560467.db2.gz DZQFVHPPVGYVJP-UHFFFAOYSA-N 2 2 422.863 3.855 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000476052407 996568613 /nfs/dbraw/zinc/56/86/13/996568613.db2.gz RVKFXCICAOQNML-WBVHZDCISA-N 2 2 404.505 3.736 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000476052407 996568618 /nfs/dbraw/zinc/56/86/18/996568618.db2.gz RVKFXCICAOQNML-WBVHZDCISA-N 2 2 404.505 3.736 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000476157484 996641964 /nfs/dbraw/zinc/64/19/64/996641964.db2.gz OVAFYDWKVRSQGJ-QZTJIDSGSA-N 2 2 411.546 3.588 20 0 HHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000484357373 996726069 /nfs/dbraw/zinc/72/60/69/996726069.db2.gz DMKWYVSGFQJSMO-LJQANCHMSA-N 2 2 413.562 3.543 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000476374855 996812480 /nfs/dbraw/zinc/81/24/80/996812480.db2.gz BJQLWXVOITWBHW-XZOQPEGZSA-N 2 2 421.520 3.812 20 0 HHADLP COc1cc(C[N@@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614627 996947633 /nfs/dbraw/zinc/94/76/33/996947633.db2.gz KLOMOOZQJPYTRN-NRFANRHFSA-N 2 2 401.595 3.665 20 0 HHADLP COc1cc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc(OC)c1 ZINC000484614627 996947645 /nfs/dbraw/zinc/94/76/45/996947645.db2.gz KLOMOOZQJPYTRN-NRFANRHFSA-N 2 2 401.595 3.665 20 0 HHADLP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000484642851 996977025 /nfs/dbraw/zinc/97/70/25/996977025.db2.gz RAXCEDUIQLFFSH-RXVVDRJESA-N 2 2 406.530 3.815 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000476817385 997375295 /nfs/dbraw/zinc/37/52/95/997375295.db2.gz GBGXETXFONMLTC-CQSZACIVSA-N 2 2 402.366 3.799 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000476828694 997388421 /nfs/dbraw/zinc/38/84/21/997388421.db2.gz YOUGQEAWYZMTNJ-PMACEKPBSA-N 2 2 411.590 3.885 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000485199941 997575845 /nfs/dbraw/zinc/57/58/45/997575845.db2.gz UAIOXCAQDQFQAD-HTAPYJJXSA-N 2 2 409.509 3.810 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000485302799 997709135 /nfs/dbraw/zinc/70/91/35/997709135.db2.gz XJINKJYDHDOIBW-RTWAWAEBSA-N 2 2 423.605 3.959 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000485302799 997709147 /nfs/dbraw/zinc/70/91/47/997709147.db2.gz XJINKJYDHDOIBW-RTWAWAEBSA-N 2 2 423.605 3.959 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477225704 997899817 /nfs/dbraw/zinc/89/98/17/997899817.db2.gz WJHOKQXTZKHEKB-FQEVSTJZSA-N 2 2 424.992 3.817 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477225704 997899821 /nfs/dbraw/zinc/89/98/21/997899821.db2.gz WJHOKQXTZKHEKB-FQEVSTJZSA-N 2 2 424.992 3.817 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000485474759 997922746 /nfs/dbraw/zinc/92/27/46/997922746.db2.gz AHKBVDNRHXPBRV-VQTJNVASSA-N 2 2 409.578 3.610 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477511741 998232813 /nfs/dbraw/zinc/23/28/13/998232813.db2.gz WPQITDYJYYVYIH-OXQOHEQNSA-N 2 2 406.933 3.998 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477511741 998232824 /nfs/dbraw/zinc/23/28/24/998232824.db2.gz WPQITDYJYYVYIH-OXQOHEQNSA-N 2 2 406.933 3.998 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785025 998256785 /nfs/dbraw/zinc/25/67/85/998256785.db2.gz KHXWLYUQAXEFAL-VXKWHMMOSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785025 998256795 /nfs/dbraw/zinc/25/67/95/998256795.db2.gz KHXWLYUQAXEFAL-VXKWHMMOSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(C(F)(F)F)cc1 ZINC000485968931 998410785 /nfs/dbraw/zinc/41/07/85/998410785.db2.gz SVYKTJFHJFYIMY-APWZRJJASA-N 2 2 408.468 3.664 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486161153 998610584 /nfs/dbraw/zinc/61/05/84/998610584.db2.gz WNRYEZWFIZGCKG-XUVXKRRUSA-N 2 2 418.651 3.667 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486161153 998610587 /nfs/dbraw/zinc/61/05/87/998610587.db2.gz WNRYEZWFIZGCKG-XUVXKRRUSA-N 2 2 418.651 3.667 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486978887 999025822 /nfs/dbraw/zinc/02/58/22/999025822.db2.gz YOWSSPKDWNRSCT-OAQYLSRUSA-N 2 2 414.569 3.619 20 0 HHADLP CC(C)CCn1ncc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C(C)C ZINC000487632720 999236530 /nfs/dbraw/zinc/23/65/30/999236530.db2.gz STAMOZDMLGBIGR-UHFFFAOYSA-N 2 2 418.630 3.733 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487881485 999303156 /nfs/dbraw/zinc/30/31/56/999303156.db2.gz ADNWZGRDIVGKPJ-VWLOTQADSA-N 2 2 421.589 3.926 20 0 HHADLP C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487881485 999303162 /nfs/dbraw/zinc/30/31/62/999303162.db2.gz ADNWZGRDIVGKPJ-VWLOTQADSA-N 2 2 421.589 3.926 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000488006013 999345523 /nfs/dbraw/zinc/34/55/23/999345523.db2.gz LAVADWJNSREJIP-INIZCTEOSA-N 2 2 406.537 3.603 20 0 HHADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000488159312 999397257 /nfs/dbraw/zinc/39/72/57/999397257.db2.gz HDDCYIWAOHMSQH-UHFFFAOYSA-N 2 2 416.323 3.884 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc2C1 ZINC000479478634 999434772 /nfs/dbraw/zinc/43/47/72/999434772.db2.gz WJZKEHNSAZZLED-GZNCHQMQSA-N 2 2 409.496 3.875 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000488476192 999500005 /nfs/dbraw/zinc/50/00/05/999500005.db2.gz KQHDRRMVOMSYJY-KNQAVFIVSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000488476192 999500012 /nfs/dbraw/zinc/50/00/12/999500012.db2.gz KQHDRRMVOMSYJY-KNQAVFIVSA-N 2 2 422.598 3.903 20 0 HHADLP COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952029 999660981 /nfs/dbraw/zinc/66/09/81/999660981.db2.gz WBFBZLWQBUXEJI-GBXCKJPGSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952029 999660983 /nfs/dbraw/zinc/66/09/83/999660983.db2.gz WBFBZLWQBUXEJI-GBXCKJPGSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952029 999660985 /nfs/dbraw/zinc/66/09/85/999660985.db2.gz WBFBZLWQBUXEJI-GBXCKJPGSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952029 999660986 /nfs/dbraw/zinc/66/09/86/999660986.db2.gz WBFBZLWQBUXEJI-GBXCKJPGSA-N 2 2 419.569 3.564 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127503 999707068 /nfs/dbraw/zinc/70/70/68/999707068.db2.gz KWOSIOYHNADJGN-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127503 999707070 /nfs/dbraw/zinc/70/70/70/999707070.db2.gz KWOSIOYHNADJGN-DNQXCXABSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127506 999707106 /nfs/dbraw/zinc/70/71/06/999707106.db2.gz KWOSIOYHNADJGN-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127506 999707108 /nfs/dbraw/zinc/70/71/08/999707108.db2.gz KWOSIOYHNADJGN-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489132152 999708422 /nfs/dbraw/zinc/70/84/22/999708422.db2.gz ULBKJWJJSFYOIC-PKTZIBPZSA-N 2 2 411.590 3.615 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489132152 999708424 /nfs/dbraw/zinc/70/84/24/999708424.db2.gz ULBKJWJJSFYOIC-PKTZIBPZSA-N 2 2 411.590 3.615 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000489337236 999748287 /nfs/dbraw/zinc/74/82/87/999748287.db2.gz XDMCKYZXKAWZSV-VQTJNVASSA-N 2 2 424.589 3.894 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000489337236 999748289 /nfs/dbraw/zinc/74/82/89/999748289.db2.gz XDMCKYZXKAWZSV-VQTJNVASSA-N 2 2 424.589 3.894 20 0 HHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1NC(C)=O ZINC000480249225 999756322 /nfs/dbraw/zinc/75/63/22/999756322.db2.gz PIMDEZLHWRDNSU-FQEVSTJZSA-N 2 2 424.589 3.825 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3cccc(F)c3)C(C)(C)C)CC2)CC1 ZINC000489392204 999757239 /nfs/dbraw/zinc/75/72/39/999757239.db2.gz MTNVRTKEJQWPMX-NRFANRHFSA-N 2 2 404.574 3.771 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000489392643 999757378 /nfs/dbraw/zinc/75/73/78/999757378.db2.gz PBZBPPJSPIVLNA-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000489392643 999757379 /nfs/dbraw/zinc/75/73/79/999757379.db2.gz PBZBPPJSPIVLNA-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480263452 999758928 /nfs/dbraw/zinc/75/89/28/999758928.db2.gz ZFZMUHSLMMVZIA-YADHBBJMSA-N 2 2 420.548 3.664 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480263452 999758930 /nfs/dbraw/zinc/75/89/30/999758930.db2.gz ZFZMUHSLMMVZIA-YADHBBJMSA-N 2 2 420.548 3.664 20 0 HHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)c(F)c1 ZINC000489565428 999793336 /nfs/dbraw/zinc/79/33/36/999793336.db2.gz ZHYHOYWHMRSANK-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Br)s1 ZINC000480613184 999841182 /nfs/dbraw/zinc/84/11/82/999841182.db2.gz MOUAEJFUOVPCSK-CQSZACIVSA-N 2 2 422.392 3.749 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccsc2S1 ZINC000480620439 999843084 /nfs/dbraw/zinc/84/30/84/999843084.db2.gz VEBXSSDRYKZJBX-HNAYVOBHSA-N 2 2 401.601 3.851 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844825 999848439 /nfs/dbraw/zinc/84/84/39/999848439.db2.gz VOGVCUQSKPACJB-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000489844825 999848442 /nfs/dbraw/zinc/84/84/42/999848442.db2.gz VOGVCUQSKPACJB-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP CN(C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000490805089 1000008776 /nfs/dbraw/zinc/00/87/76/1000008776.db2.gz WMYVMFIJOJDYLY-YJMBLLCNSA-N 2 2 422.658 3.559 20 0 HHADLP CN(C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490805089 1000008778 /nfs/dbraw/zinc/00/87/78/1000008778.db2.gz WMYVMFIJOJDYLY-YJMBLLCNSA-N 2 2 422.658 3.559 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056687 1000040284 /nfs/dbraw/zinc/04/02/84/1000040284.db2.gz CGWACDQIRAOHNY-NQIIRXRSSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000491056687 1000040286 /nfs/dbraw/zinc/04/02/86/1000040286.db2.gz CGWACDQIRAOHNY-NQIIRXRSSA-N 2 2 403.929 3.746 20 0 HHADLP COc1ccccc1-c1ncc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000491233523 1000057304 /nfs/dbraw/zinc/05/73/04/1000057304.db2.gz BDPMLOJNMIXTMK-UHFFFAOYSA-N 2 2 418.545 3.690 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491857316 1000097947 /nfs/dbraw/zinc/09/79/47/1000097947.db2.gz SZZVEGWNJZXCSQ-WIYYLYMNSA-N 2 2 404.518 3.501 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491857316 1000097949 /nfs/dbraw/zinc/09/79/49/1000097949.db2.gz SZZVEGWNJZXCSQ-WIYYLYMNSA-N 2 2 404.518 3.501 20 0 HHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492237009 1000117276 /nfs/dbraw/zinc/11/72/76/1000117276.db2.gz PFIUCWUGZPSVRQ-OAHLLOKOSA-N 2 2 414.377 3.755 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492253434 1000118120 /nfs/dbraw/zinc/11/81/20/1000118120.db2.gz PKKVUZNTCAVAFO-NRFANRHFSA-N 2 2 418.545 3.749 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492253434 1000118121 /nfs/dbraw/zinc/11/81/21/1000118121.db2.gz PKKVUZNTCAVAFO-NRFANRHFSA-N 2 2 418.545 3.749 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494422720 1000484934 /nfs/dbraw/zinc/48/49/34/1000484934.db2.gz CDRQQGGEBTWHRI-LBPRGKRZSA-N 2 2 415.129 3.521 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000505161189 1000586944 /nfs/dbraw/zinc/58/69/44/1000586944.db2.gz WDIQYUNJGKMKER-UEVCKROQSA-N 2 2 422.573 3.506 20 0 HHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911259 1000725461 /nfs/dbraw/zinc/72/54/61/1000725461.db2.gz QNFCVEJUODGUFW-ZDUSSCGKSA-N 2 2 400.832 3.967 20 0 HHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000494911259 1000725464 /nfs/dbraw/zinc/72/54/64/1000725464.db2.gz QNFCVEJUODGUFW-ZDUSSCGKSA-N 2 2 400.832 3.967 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)c1 ZINC000494919439 1000730301 /nfs/dbraw/zinc/73/03/01/1000730301.db2.gz CEZTWNNJXBRQGH-NRFANRHFSA-N 2 2 408.590 3.560 20 0 HHADLP CCOc1c(Cl)cccc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000494949354 1000747734 /nfs/dbraw/zinc/74/77/34/1000747734.db2.gz DDFLRJMIWCWZBB-UHFFFAOYSA-N 2 2 407.986 3.505 20 0 HHADLP Cn1cc([C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2cccc(F)c2)cn1 ZINC000495026686 1000787222 /nfs/dbraw/zinc/78/72/22/1000787222.db2.gz KUTORXRNFKZEAP-HSZRJFAPSA-N 2 2 408.525 3.686 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521731 1000864880 /nfs/dbraw/zinc/86/48/80/1000864880.db2.gz XXMIXPGRYOJDDK-ZJSXRUAMSA-N 2 2 421.585 3.813 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521731 1000864886 /nfs/dbraw/zinc/86/48/86/1000864886.db2.gz XXMIXPGRYOJDDK-ZJSXRUAMSA-N 2 2 421.585 3.813 20 0 HHADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537883 1000887053 /nfs/dbraw/zinc/88/70/53/1000887053.db2.gz HIBNLLVAACLHAB-FPOVZHCZSA-N 2 2 420.395 3.530 20 0 HHADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)C1 ZINC000505537883 1000887059 /nfs/dbraw/zinc/88/70/59/1000887059.db2.gz HIBNLLVAACLHAB-FPOVZHCZSA-N 2 2 420.395 3.530 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000505739938 1001001509 /nfs/dbraw/zinc/00/15/09/1001001509.db2.gz MRDBQQQTVTTWDB-UHFFFAOYSA-N 2 2 419.573 3.890 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000505739938 1001001514 /nfs/dbraw/zinc/00/15/14/1001001514.db2.gz MRDBQQQTVTTWDB-UHFFFAOYSA-N 2 2 419.573 3.890 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415442 1001004135 /nfs/dbraw/zinc/00/41/35/1001004135.db2.gz QCWCHRVUVLQLCJ-JXFKEZNVSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415442 1001004141 /nfs/dbraw/zinc/00/41/41/1001004141.db2.gz QCWCHRVUVLQLCJ-JXFKEZNVSA-N 2 2 403.368 3.756 20 0 HHADLP Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495804478 1001078123 /nfs/dbraw/zinc/07/81/23/1001078123.db2.gz PLAWVXFPFKYBOQ-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495804478 1001078128 /nfs/dbraw/zinc/07/81/28/1001078128.db2.gz PLAWVXFPFKYBOQ-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495833760 1001083571 /nfs/dbraw/zinc/08/35/71/1001083571.db2.gz XXEKYYYODCWYJX-UHFFFAOYSA-N 2 2 421.010 3.870 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495833760 1001083578 /nfs/dbraw/zinc/08/35/78/1001083578.db2.gz XXEKYYYODCWYJX-UHFFFAOYSA-N 2 2 421.010 3.870 20 0 HHADLP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000506363546 1001378481 /nfs/dbraw/zinc/37/84/81/1001378481.db2.gz OKSFGQMDJWDLTR-WOJBJXKFSA-N 2 2 404.599 3.878 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CCc3ccccc3)C3CCCC3)CC2)CC1 ZINC000497803850 1001518834 /nfs/dbraw/zinc/51/88/34/1001518834.db2.gz JSRBOZXLASMHTO-UHFFFAOYSA-N 2 2 412.622 3.742 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913811 1001591429 /nfs/dbraw/zinc/59/14/29/1001591429.db2.gz GCNOFNAYMAXNJW-IRLDBZIGSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000506913811 1001591434 /nfs/dbraw/zinc/59/14/34/1001591434.db2.gz GCNOFNAYMAXNJW-IRLDBZIGSA-N 2 2 413.610 3.868 20 0 HHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106644 1001812745 /nfs/dbraw/zinc/81/27/45/1001812745.db2.gz XRBVTUIYVZLJLT-PMACEKPBSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106644 1001812759 /nfs/dbraw/zinc/81/27/59/1001812759.db2.gz XRBVTUIYVZLJLT-PMACEKPBSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106650 1001813440 /nfs/dbraw/zinc/81/34/40/1001813440.db2.gz XRBVTUIYVZLJLT-WOJBJXKFSA-N 2 2 401.599 3.621 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507106650 1001813452 /nfs/dbraw/zinc/81/34/52/1001813452.db2.gz XRBVTUIYVZLJLT-WOJBJXKFSA-N 2 2 401.599 3.621 20 0 HHADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507106919 1001813706 /nfs/dbraw/zinc/81/37/06/1001813706.db2.gz XVRSIUWVLJVFIP-GMAHTHKFSA-N 2 2 421.589 3.946 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507196817 1001884319 /nfs/dbraw/zinc/88/43/19/1001884319.db2.gz NZHZMRHSZWDVDV-TZIWHRDSSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507196817 1001884334 /nfs/dbraw/zinc/88/43/34/1001884334.db2.gz NZHZMRHSZWDVDV-TZIWHRDSSA-N 2 2 409.578 3.629 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000498486904 1001913199 /nfs/dbraw/zinc/91/31/99/1001913199.db2.gz BODHYEOBSYNOAW-NHCUHLMSSA-N 2 2 416.953 3.595 20 0 HHADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000498486904 1001913204 /nfs/dbraw/zinc/91/32/04/1001913204.db2.gz BODHYEOBSYNOAW-NHCUHLMSSA-N 2 2 416.953 3.595 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300568 1001983249 /nfs/dbraw/zinc/98/32/49/1001983249.db2.gz CDJHVMKSLBRHNC-CEMLEFRQSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300568 1001983257 /nfs/dbraw/zinc/98/32/57/1001983257.db2.gz CDJHVMKSLBRHNC-CEMLEFRQSA-N 2 2 421.589 3.944 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000507318500 1001998098 /nfs/dbraw/zinc/99/80/98/1001998098.db2.gz MGLZCPCWABZYBJ-GHTZIAJQSA-N 2 2 413.541 3.550 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323051 1002001424 /nfs/dbraw/zinc/00/14/24/1002001424.db2.gz YNIHJJAJGZKMAU-HSALFYBXSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323051 1002001435 /nfs/dbraw/zinc/00/14/35/1002001435.db2.gz YNIHJJAJGZKMAU-HSALFYBXSA-N 2 2 415.626 3.865 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000498598755 1002005258 /nfs/dbraw/zinc/00/52/58/1002005258.db2.gz FHNCNDJNYGKJJW-UHFFFAOYSA-N 2 2 407.558 3.639 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000507374912 1002032032 /nfs/dbraw/zinc/03/20/32/1002032032.db2.gz ZSKKITXOZONBLV-UFYCRDLUSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000507374912 1002032020 /nfs/dbraw/zinc/03/20/20/1002032020.db2.gz ZSKKITXOZONBLV-UFYCRDLUSA-N 2 2 413.610 3.761 20 0 HHADLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378909 1002034804 /nfs/dbraw/zinc/03/48/04/1002034804.db2.gz HBUWRPBMDIJKES-VQIMIIECSA-N 2 2 410.965 3.647 20 0 HHADLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378909 1002034794 /nfs/dbraw/zinc/03/47/94/1002034794.db2.gz HBUWRPBMDIJKES-VQIMIIECSA-N 2 2 410.965 3.647 20 0 HHADLP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)c1 ZINC000507503537 1002116262 /nfs/dbraw/zinc/11/62/62/1002116262.db2.gz AFPRFAXAVUTRJN-INIZCTEOSA-N 2 2 415.500 3.537 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)[nH+]c2)CC1 ZINC000507510145 1002120314 /nfs/dbraw/zinc/12/03/14/1002120314.db2.gz MFAJLEHCUPPQCO-IEZKXTBUSA-N 3 2 419.617 3.935 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)[nH+]c2)CC1 ZINC000507510145 1002120305 /nfs/dbraw/zinc/12/03/05/1002120305.db2.gz MFAJLEHCUPPQCO-IEZKXTBUSA-N 3 2 419.617 3.935 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507561124 1002166564 /nfs/dbraw/zinc/16/65/64/1002166564.db2.gz FASXQFRVJPTPMO-IBGZPJMESA-N 2 2 413.610 3.906 20 0 HHADLP C[C@H]1C[C@@]1(NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000507600480 1002206840 /nfs/dbraw/zinc/20/68/40/1002206840.db2.gz ROBDNUIMDVTCSD-MBSDFSHPSA-N 2 2 419.013 3.825 20 0 HHADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498831546 1002216977 /nfs/dbraw/zinc/21/69/77/1002216977.db2.gz HTCHIYJWYNYLDH-HXUWFJFHSA-N 2 2 414.594 3.847 20 0 HHADLP Fc1ccc(SCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498831546 1002216988 /nfs/dbraw/zinc/21/69/88/1002216988.db2.gz HTCHIYJWYNYLDH-HXUWFJFHSA-N 2 2 414.594 3.847 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000499247532 1002643244 /nfs/dbraw/zinc/64/32/44/1002643244.db2.gz FHXLSGXRLZYTTQ-CIAFKFPVSA-N 2 2 405.542 3.586 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000499247532 1002643248 /nfs/dbraw/zinc/64/32/48/1002643248.db2.gz FHXLSGXRLZYTTQ-CIAFKFPVSA-N 2 2 405.542 3.586 20 0 HHADLP C[C@H]1CCC[C@H](OCCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000499384181 1002775615 /nfs/dbraw/zinc/77/56/15/1002775615.db2.gz NUAVLPAUUFHYBN-REWPJTCUSA-N 2 2 407.643 3.817 20 0 HHADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000508572892 1003037647 /nfs/dbraw/zinc/03/76/47/1003037647.db2.gz YAESNJSMRVMJDO-UHFFFAOYSA-N 2 2 420.557 3.528 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508679009 1003117226 /nfs/dbraw/zinc/11/72/26/1003117226.db2.gz PDNVMCLTCKIUEK-OAHLLOKOSA-N 2 2 420.351 3.799 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508679009 1003117233 /nfs/dbraw/zinc/11/72/33/1003117233.db2.gz PDNVMCLTCKIUEK-OAHLLOKOSA-N 2 2 420.351 3.799 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499801488 1003137704 /nfs/dbraw/zinc/13/77/04/1003137704.db2.gz UJRGKCMOEDLGRK-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499801488 1003137706 /nfs/dbraw/zinc/13/77/06/1003137706.db2.gz UJRGKCMOEDLGRK-RTWAWAEBSA-N 2 2 417.557 3.736 20 0 HHADLP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc(O)c2Cl)CC1)Cc1ccccc1 ZINC000508744726 1003180679 /nfs/dbraw/zinc/18/06/79/1003180679.db2.gz ZEWOAIRPLQWOBV-UHFFFAOYSA-N 2 2 415.965 3.506 20 0 HHADLP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccc(O)c2Cl)CC1)Cc1ccccc1 ZINC000508744726 1003180673 /nfs/dbraw/zinc/18/06/73/1003180673.db2.gz ZEWOAIRPLQWOBV-UHFFFAOYSA-N 2 2 415.965 3.506 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508877424 1003297701 /nfs/dbraw/zinc/29/77/01/1003297701.db2.gz YBFZTVSQXMIJBL-WFXMLNOXSA-N 2 2 400.592 3.828 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508898655 1003330023 /nfs/dbraw/zinc/33/00/23/1003330023.db2.gz QWBCGJURJVETQJ-RCZSKKKRSA-N 2 2 409.578 3.800 20 0 HHADLP c1cc2c(s1)C1(CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC1)OCC2 ZINC000509006949 1003478692 /nfs/dbraw/zinc/47/86/92/1003478692.db2.gz MKVLDFDWLVABQO-UHFFFAOYSA-N 2 2 411.615 3.824 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)c1 ZINC000509263061 1003663534 /nfs/dbraw/zinc/66/35/34/1003663534.db2.gz JRUNXIDJBOVAPQ-HXUWFJFHSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)c1 ZINC000509263061 1003663539 /nfs/dbraw/zinc/66/35/39/1003663539.db2.gz JRUNXIDJBOVAPQ-HXUWFJFHSA-N 2 2 416.610 3.738 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304177 1003695687 /nfs/dbraw/zinc/69/56/87/1003695687.db2.gz QIKKMJAJLZASBE-VQTJNVASSA-N 2 2 418.626 3.700 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304177 1003695689 /nfs/dbraw/zinc/69/56/89/1003695689.db2.gz QIKKMJAJLZASBE-VQTJNVASSA-N 2 2 418.626 3.700 20 0 HHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000500439952 1003718932 /nfs/dbraw/zinc/71/89/32/1003718932.db2.gz LBNAQRZEGZZMKW-OAHLLOKOSA-N 2 2 411.290 3.584 20 0 HHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000500439952 1003718936 /nfs/dbraw/zinc/71/89/36/1003718936.db2.gz LBNAQRZEGZZMKW-OAHLLOKOSA-N 2 2 411.290 3.584 20 0 HHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830917 1003803595 /nfs/dbraw/zinc/80/35/95/1003803595.db2.gz FBSIKYSLNUGTOO-WOJBJXKFSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511830917 1003803607 /nfs/dbraw/zinc/80/36/07/1003803607.db2.gz FBSIKYSLNUGTOO-WOJBJXKFSA-N 2 2 405.464 3.699 20 0 HHADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511845144 1003822777 /nfs/dbraw/zinc/82/27/77/1003822777.db2.gz VCDQGTFSXNPVGM-SFHVURJKSA-N 2 2 411.575 3.609 20 0 HHADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511845144 1003822792 /nfs/dbraw/zinc/82/27/92/1003822792.db2.gz VCDQGTFSXNPVGM-SFHVURJKSA-N 2 2 411.575 3.609 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000500672723 1003882700 /nfs/dbraw/zinc/88/27/00/1003882700.db2.gz ZJORXNSSHDZQLC-PMACEKPBSA-N 2 2 409.578 3.861 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509523781 1003922444 /nfs/dbraw/zinc/92/24/44/1003922444.db2.gz ZJIGVBXQHGXDRB-UHFFFAOYSA-N 2 2 414.513 3.603 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)s1 ZINC000511996009 1003942580 /nfs/dbraw/zinc/94/25/80/1003942580.db2.gz DYRITWUIAXLTGP-UHFFFAOYSA-N 2 2 423.424 3.721 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000500821325 1003981203 /nfs/dbraw/zinc/98/12/03/1003981203.db2.gz JUYAWNROEFTVJK-BJLQDIEVSA-N 2 2 400.592 3.740 20 0 HHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000512053279 1003984385 /nfs/dbraw/zinc/98/43/85/1003984385.db2.gz QFATXBZYIIJTAK-ZDUSSCGKSA-N 2 2 421.891 3.776 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)C1 ZINC000509794657 1004101739 /nfs/dbraw/zinc/10/17/39/1004101739.db2.gz MCHIEGAULJTJJG-TXTKFYIRSA-N 2 2 421.589 3.638 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000501009808 1004114378 /nfs/dbraw/zinc/11/43/78/1004114378.db2.gz DHKCWSQKLZLBQU-ROUUACIJSA-N 2 2 402.608 3.749 20 0 HHADLP C[NH+](C)CC1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000501015378 1004118631 /nfs/dbraw/zinc/11/86/31/1004118631.db2.gz PGGAJBANYZSXKG-IBGZPJMESA-N 2 2 410.965 3.599 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000512221835 1004122966 /nfs/dbraw/zinc/12/29/66/1004122966.db2.gz LRLODBLDGLJUCA-NRFANRHFSA-N 2 2 423.586 3.742 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000512221835 1004122970 /nfs/dbraw/zinc/12/29/70/1004122970.db2.gz LRLODBLDGLJUCA-NRFANRHFSA-N 2 2 423.586 3.742 20 0 HHADLP CC(C)C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000509829463 1004129623 /nfs/dbraw/zinc/12/96/23/1004129623.db2.gz WGBRNYFMOHOYAL-SOAGJPPSSA-N 2 2 410.002 3.712 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501031157 1004134428 /nfs/dbraw/zinc/13/44/28/1004134428.db2.gz XGPNPECQTOYZKB-XLIONFOSSA-N 2 2 422.976 3.886 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501049315 1004150625 /nfs/dbraw/zinc/15/06/25/1004150625.db2.gz BGTYFSDNLRMGQY-GPMSIDNRSA-N 2 2 408.949 3.542 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501049315 1004150631 /nfs/dbraw/zinc/15/06/31/1004150631.db2.gz BGTYFSDNLRMGQY-GPMSIDNRSA-N 2 2 408.949 3.542 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000509893271 1004186475 /nfs/dbraw/zinc/18/64/75/1004186475.db2.gz JTDPHWCRBRVZIG-GTROLIPKSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000509893271 1004186481 /nfs/dbraw/zinc/18/64/81/1004186481.db2.gz JTDPHWCRBRVZIG-GTROLIPKSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000501086408 1004192327 /nfs/dbraw/zinc/19/23/27/1004192327.db2.gz JXHRCGPZVPUJKY-NRVXSKMLSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000501086408 1004192333 /nfs/dbraw/zinc/19/23/33/1004192333.db2.gz JXHRCGPZVPUJKY-NRVXSKMLSA-N 2 2 416.516 3.701 20 0 HHADLP C[N@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCSC1 ZINC000501207506 1004279870 /nfs/dbraw/zinc/27/98/70/1004279870.db2.gz RZBSHLPUODJBQU-MRXNPFEDSA-N 2 2 424.973 3.532 20 0 HHADLP C[N@@H+](CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[C@@H]1CCSC1 ZINC000501207506 1004279878 /nfs/dbraw/zinc/27/98/78/1004279878.db2.gz RZBSHLPUODJBQU-MRXNPFEDSA-N 2 2 424.973 3.532 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@@H+]1Cc1ccccc1 ZINC000510097996 1004321596 /nfs/dbraw/zinc/32/15/96/1004321596.db2.gz FGXQUMGCLRINII-OFNKIYASSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C[N@H+]1Cc1ccccc1 ZINC000510097996 1004321604 /nfs/dbraw/zinc/32/16/04/1004321604.db2.gz FGXQUMGCLRINII-OFNKIYASSA-N 2 2 402.542 3.962 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347751 1004359322 /nfs/dbraw/zinc/35/93/22/1004359322.db2.gz AYQWFUZXTZZRBA-VXKWHMMOSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347751 1004359333 /nfs/dbraw/zinc/35/93/33/1004359333.db2.gz AYQWFUZXTZZRBA-VXKWHMMOSA-N 2 2 412.582 3.672 20 0 HHADLP COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000510185494 1004382419 /nfs/dbraw/zinc/38/24/19/1004382419.db2.gz MRKMETLPXBMNIM-HSZRJFAPSA-N 2 2 404.514 3.756 20 0 HHADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000510210338 1004397357 /nfs/dbraw/zinc/39/73/57/1004397357.db2.gz QNTVRQGENWNYGF-UHFFFAOYSA-N 2 2 419.529 3.505 20 0 HHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251514 1004426518 /nfs/dbraw/zinc/42/65/18/1004426518.db2.gz CONKFKQBDLMARA-IRLDBZIGSA-N 2 2 422.573 3.602 20 0 HHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251514 1004426526 /nfs/dbraw/zinc/42/65/26/1004426526.db2.gz CONKFKQBDLMARA-IRLDBZIGSA-N 2 2 422.573 3.602 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000512691006 1004497585 /nfs/dbraw/zinc/49/75/85/1004497585.db2.gz QPIITWUHWDSZLO-FGZHOGPDSA-N 2 2 408.590 3.651 20 0 HHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000512828138 1004586421 /nfs/dbraw/zinc/58/64/21/1004586421.db2.gz NGMZZVHNNNAHOL-UHFFFAOYSA-N 2 2 422.573 3.561 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512848083 1004610521 /nfs/dbraw/zinc/61/05/21/1004610521.db2.gz ZUNXIJGMDQWQOU-AEFFLSMTSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000512848083 1004610530 /nfs/dbraw/zinc/61/05/30/1004610530.db2.gz ZUNXIJGMDQWQOU-AEFFLSMTSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512848084 1004610558 /nfs/dbraw/zinc/61/05/58/1004610558.db2.gz ZUNXIJGMDQWQOU-FUHWJXTLSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000512848084 1004610564 /nfs/dbraw/zinc/61/05/64/1004610564.db2.gz ZUNXIJGMDQWQOU-FUHWJXTLSA-N 2 2 421.467 3.592 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000510611451 1004753300 /nfs/dbraw/zinc/75/33/00/1004753300.db2.gz BBBSVMOSHZDWJL-MRXNPFEDSA-N 2 2 421.463 3.827 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510677862 1004794487 /nfs/dbraw/zinc/79/44/87/1004794487.db2.gz CAKDKQAPGQIDET-NYVOZVTQSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510677862 1004794494 /nfs/dbraw/zinc/79/44/94/1004794494.db2.gz CAKDKQAPGQIDET-NYVOZVTQSA-N 2 2 415.375 3.909 20 0 HHADLP C[NH+](Cc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513143239 1004829282 /nfs/dbraw/zinc/82/92/82/1004829282.db2.gz BSOJPKWLLDPACT-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP C[NH+](Cc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513143239 1004829294 /nfs/dbraw/zinc/82/92/94/1004829294.db2.gz BSOJPKWLLDPACT-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP CC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000510773170 1004844605 /nfs/dbraw/zinc/84/46/05/1004844605.db2.gz FMIQVXSPOCFKOD-UHFFFAOYSA-N 2 2 407.558 3.511 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+](CC)CC)cc3)cc2)CC1 ZINC000513191880 1004853686 /nfs/dbraw/zinc/85/36/86/1004853686.db2.gz WYYFNJTZTDIMSO-UHFFFAOYSA-N 2 2 408.590 3.918 20 0 HHADLP Cc1[nH+]ccn1CCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510955345 1004952348 /nfs/dbraw/zinc/95/23/48/1004952348.db2.gz XEHVNUVXRRQHHV-UHFFFAOYSA-N 3 2 406.328 3.726 20 0 HHADLP Cc1[nH+]ccn1CCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510955345 1004952350 /nfs/dbraw/zinc/95/23/50/1004952350.db2.gz XEHVNUVXRRQHHV-UHFFFAOYSA-N 3 2 406.328 3.726 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](Cc3ccccn3)c3cccnc3)CC2)c1 ZINC000513500786 1004992684 /nfs/dbraw/zinc/99/26/84/1004992684.db2.gz ORCHBMOHNVITML-SANMLTNESA-N 2 2 415.585 3.871 20 0 HHADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000502314128 1005006888 /nfs/dbraw/zinc/00/68/88/1005006888.db2.gz YDIVCCKNDQWRMS-SFHLNBCPSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000502314128 1005006892 /nfs/dbraw/zinc/00/68/92/1005006892.db2.gz YDIVCCKNDQWRMS-SFHLNBCPSA-N 2 2 402.583 3.682 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558755 1005021910 /nfs/dbraw/zinc/02/19/10/1005021910.db2.gz DSFQYPZOCRTMOD-DHIUTWEWSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558755 1005021915 /nfs/dbraw/zinc/02/19/15/1005021915.db2.gz DSFQYPZOCRTMOD-DHIUTWEWSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558757 1005022050 /nfs/dbraw/zinc/02/20/50/1005022050.db2.gz DSFQYPZOCRTMOD-PKTZIBPZSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000513558757 1005022056 /nfs/dbraw/zinc/02/20/56/1005022056.db2.gz DSFQYPZOCRTMOD-PKTZIBPZSA-N 2 2 409.599 3.557 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OCCC(C)C ZINC000513643756 1005062972 /nfs/dbraw/zinc/06/29/72/1005062972.db2.gz WVUGVVNAJBSDEB-JOCHJYFZSA-N 2 2 403.611 3.722 20 0 HHADLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OCCC(C)C ZINC000513643756 1005062974 /nfs/dbraw/zinc/06/29/74/1005062974.db2.gz WVUGVVNAJBSDEB-JOCHJYFZSA-N 2 2 403.611 3.722 20 0 HHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000513665362 1005073336 /nfs/dbraw/zinc/07/33/36/1005073336.db2.gz DSBDNFOOHVNAIV-DEOSSOPVSA-N 2 2 421.633 3.827 20 0 HHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000513665362 1005073341 /nfs/dbraw/zinc/07/33/41/1005073341.db2.gz DSBDNFOOHVNAIV-DEOSSOPVSA-N 2 2 421.633 3.827 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268559 1005099471 /nfs/dbraw/zinc/09/94/71/1005099471.db2.gz WTZYJVHSUWSCTJ-OFKJGTHESA-N 2 2 410.606 3.680 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268559 1005099476 /nfs/dbraw/zinc/09/94/76/1005099476.db2.gz WTZYJVHSUWSCTJ-OFKJGTHESA-N 2 2 410.606 3.680 20 0 HHADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000511372081 1005144112 /nfs/dbraw/zinc/14/41/12/1005144112.db2.gz FZJNTMVBNAUVKZ-JOCHJYFZSA-N 2 2 409.578 3.782 20 0 HHADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000511372081 1005144118 /nfs/dbraw/zinc/14/41/18/1005144118.db2.gz FZJNTMVBNAUVKZ-JOCHJYFZSA-N 2 2 409.578 3.782 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511382434 1005149071 /nfs/dbraw/zinc/14/90/71/1005149071.db2.gz LJAGXZAJFQIYNC-IBGZPJMESA-N 2 2 402.489 3.547 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511382434 1005149075 /nfs/dbraw/zinc/14/90/75/1005149075.db2.gz LJAGXZAJFQIYNC-IBGZPJMESA-N 2 2 402.489 3.547 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000511510410 1005205768 /nfs/dbraw/zinc/20/57/68/1005205768.db2.gz UTIODRZPBPRBMQ-NFBKMPQASA-N 2 2 406.574 3.525 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000511510410 1005205775 /nfs/dbraw/zinc/20/57/75/1005205775.db2.gz UTIODRZPBPRBMQ-NFBKMPQASA-N 2 2 406.574 3.525 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511646501 1005259792 /nfs/dbraw/zinc/25/97/92/1005259792.db2.gz ICBZJBAKUYUZNT-FCHUYYIVSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511646501 1005259796 /nfs/dbraw/zinc/25/97/96/1005259796.db2.gz ICBZJBAKUYUZNT-FCHUYYIVSA-N 2 2 404.643 3.934 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(C(=O)OC)cs3)cc2)CC1 ZINC000514098484 1005264559 /nfs/dbraw/zinc/26/45/59/1005264559.db2.gz HHTFNOVVCUJTHN-QGZVFWFLSA-N 2 2 401.576 3.523 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000502958757 1005292320 /nfs/dbraw/zinc/29/23/20/1005292320.db2.gz IPEWUVLEHALAOT-HXUWFJFHSA-N 2 2 419.573 3.903 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514242252 1005329195 /nfs/dbraw/zinc/32/91/95/1005329195.db2.gz RBIXXHLYXFHAHN-UZLBHIALSA-N 2 2 403.958 3.617 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000514320380 1005337297 /nfs/dbraw/zinc/33/72/97/1005337297.db2.gz DZXUXJQZJWBDLG-HXUWFJFHSA-N 2 2 403.958 3.714 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503076034 1005339999 /nfs/dbraw/zinc/33/99/99/1005339999.db2.gz VKSLVSDCIVUVQI-OIBXWCBGSA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503076034 1005340004 /nfs/dbraw/zinc/34/00/04/1005340004.db2.gz VKSLVSDCIVUVQI-OIBXWCBGSA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077458 1005340931 /nfs/dbraw/zinc/34/09/31/1005340931.db2.gz YPAMVYCEZUVTLU-IMWIBFENSA-N 2 2 420.557 3.975 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077458 1005340936 /nfs/dbraw/zinc/34/09/36/1005340936.db2.gz YPAMVYCEZUVTLU-IMWIBFENSA-N 2 2 420.557 3.975 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000503078828 1005341444 /nfs/dbraw/zinc/34/14/44/1005341444.db2.gz ABXYFBPUQVJRPZ-NIJXNBFTSA-N 2 2 414.553 3.940 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000503078828 1005341449 /nfs/dbraw/zinc/34/14/49/1005341449.db2.gz ABXYFBPUQVJRPZ-NIJXNBFTSA-N 2 2 414.553 3.940 20 0 HHADLP Brc1ccc2[nH+]ccc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)c2c1 ZINC000503245971 1005375933 /nfs/dbraw/zinc/37/59/33/1005375933.db2.gz MDYFVBQVRNQVSV-NRFANRHFSA-N 2 2 412.331 3.905 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)CC1 ZINC000503415319 1005413445 /nfs/dbraw/zinc/41/34/45/1005413445.db2.gz PETMBADYTYAUMT-FQEVSTJZSA-N 2 2 413.541 3.665 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534053882 1006023268 /nfs/dbraw/zinc/02/32/68/1006023268.db2.gz JNSKLLHVJPDWRA-IRFCIJBXSA-N 2 2 416.953 3.815 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534053882 1006023279 /nfs/dbraw/zinc/02/32/79/1006023279.db2.gz JNSKLLHVJPDWRA-IRFCIJBXSA-N 2 2 416.953 3.815 20 0 HHADLP C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177665 1006163721 /nfs/dbraw/zinc/16/37/21/1006163721.db2.gz LRFUZDQLAXKNGK-VGOFRKELSA-N 2 2 415.965 3.992 20 0 HHADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177665 1006163729 /nfs/dbraw/zinc/16/37/29/1006163729.db2.gz LRFUZDQLAXKNGK-VGOFRKELSA-N 2 2 415.965 3.992 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166928 /nfs/dbraw/zinc/16/69/28/1006166928.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 3 2 418.629 3.760 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166937 /nfs/dbraw/zinc/16/69/37/1006166937.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 3 2 418.629 3.760 20 0 HHADLP C/C(=C/c1ccccc1OC(F)F)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000514895813 1006195630 /nfs/dbraw/zinc/19/56/30/1006195630.db2.gz DGWXUZDRDDVSNS-SYJQRZJQSA-N 2 2 405.533 3.934 20 0 HHADLP C/C(=C/c1ccccc1OC(F)F)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000514895813 1006195633 /nfs/dbraw/zinc/19/56/33/1006195633.db2.gz DGWXUZDRDDVSNS-SYJQRZJQSA-N 2 2 405.533 3.934 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358497 1006320028 /nfs/dbraw/zinc/32/00/28/1006320028.db2.gz FKCGCWBEWJHOFX-PKTZIBPZSA-N 2 2 401.595 3.885 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358497 1006320040 /nfs/dbraw/zinc/32/00/40/1006320040.db2.gz FKCGCWBEWJHOFX-PKTZIBPZSA-N 2 2 401.595 3.885 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359507 1006322912 /nfs/dbraw/zinc/32/29/12/1006322912.db2.gz JXNXZJVLIJZCRH-PKTZIBPZSA-N 2 2 401.595 3.641 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359507 1006322925 /nfs/dbraw/zinc/32/29/25/1006322925.db2.gz JXNXZJVLIJZCRH-PKTZIBPZSA-N 2 2 401.595 3.641 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359554 1006323303 /nfs/dbraw/zinc/32/33/03/1006323303.db2.gz KHWMTZPUCHXFLE-YADHBBJMSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359554 1006323313 /nfs/dbraw/zinc/32/33/13/1006323313.db2.gz KHWMTZPUCHXFLE-YADHBBJMSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359553 1006323406 /nfs/dbraw/zinc/32/34/06/1006323406.db2.gz KHWMTZPUCHXFLE-VXKWHMMOSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000534359553 1006323417 /nfs/dbraw/zinc/32/34/17/1006323417.db2.gz KHWMTZPUCHXFLE-VXKWHMMOSA-N 2 2 403.615 3.653 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360404 1006324852 /nfs/dbraw/zinc/32/48/52/1006324852.db2.gz WNTLBXBPNKOEMC-CTUHWIOQSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360404 1006324863 /nfs/dbraw/zinc/32/48/63/1006324863.db2.gz WNTLBXBPNKOEMC-CTUHWIOQSA-N 2 2 415.622 3.984 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361259 1006325836 /nfs/dbraw/zinc/32/58/36/1006325836.db2.gz WQCNVYTVPQIPQL-PKTZIBPZSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000534361259 1006325847 /nfs/dbraw/zinc/32/58/47/1006325847.db2.gz WQCNVYTVPQIPQL-PKTZIBPZSA-N 2 2 410.606 3.814 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531651964 1006332424 /nfs/dbraw/zinc/33/24/24/1006332424.db2.gz WKAWBYISESCEOV-GOSISDBHSA-N 2 2 409.496 3.614 20 0 HHADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531651964 1006332432 /nfs/dbraw/zinc/33/24/32/1006332432.db2.gz WKAWBYISESCEOV-GOSISDBHSA-N 2 2 409.496 3.614 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376294 1006344658 /nfs/dbraw/zinc/34/46/58/1006344658.db2.gz ZOUHEVNFQJNXAQ-FGCOXFRFSA-N 2 2 414.638 3.986 20 0 HHADLP C[C@H](CCc1ccccc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376294 1006344670 /nfs/dbraw/zinc/34/46/70/1006344670.db2.gz ZOUHEVNFQJNXAQ-FGCOXFRFSA-N 2 2 414.638 3.986 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383872 1006356209 /nfs/dbraw/zinc/35/62/09/1006356209.db2.gz GZSRZANIKVFHHQ-KMDXXIMOSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383872 1006356219 /nfs/dbraw/zinc/35/62/19/1006356219.db2.gz GZSRZANIKVFHHQ-KMDXXIMOSA-N 2 2 412.622 3.961 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000531719558 1006377079 /nfs/dbraw/zinc/37/70/79/1006377079.db2.gz HSWGUSJJMATDFB-KRWDZBQOSA-N 2 2 410.002 3.556 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1 ZINC000531722456 1006379442 /nfs/dbraw/zinc/37/94/42/1006379442.db2.gz FKOKWZSNXPEEAE-NBHGPNQESA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)cc1 ZINC000531722456 1006379448 /nfs/dbraw/zinc/37/94/48/1006379448.db2.gz FKOKWZSNXPEEAE-NBHGPNQESA-N 2 2 403.364 3.983 20 0 HHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000531736480 1006389167 /nfs/dbraw/zinc/38/91/67/1006389167.db2.gz IFYJLDSXVIENSS-UHFFFAOYSA-N 2 2 405.539 3.589 20 0 HHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)CC2)C1 ZINC000531932218 1006529153 /nfs/dbraw/zinc/52/91/53/1006529153.db2.gz LRODDJRQLIJJNG-FCEUIQTBSA-N 3 2 404.668 3.669 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532202979 1006718867 /nfs/dbraw/zinc/71/88/67/1006718867.db2.gz STRJZIFQESGIHG-HNNXBMFYSA-N 2 2 417.351 3.820 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1Cl ZINC000532218968 1006729148 /nfs/dbraw/zinc/72/91/48/1006729148.db2.gz IJLWGGXTOLJMOY-OAHLLOKOSA-N 2 2 407.345 3.778 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000538587417 1006854521 /nfs/dbraw/zinc/85/45/21/1006854521.db2.gz FJMVNGODLWFKHD-LJQANCHMSA-N 3 2 411.594 3.726 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Br)ccc1F ZINC000532451526 1006893466 /nfs/dbraw/zinc/89/34/66/1006893466.db2.gz CCXCSWWANKOFFU-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP CC(C)COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000532494873 1006936614 /nfs/dbraw/zinc/93/66/14/1006936614.db2.gz UMFRMADXPXHRGU-HXUWFJFHSA-N 2 2 410.562 3.506 20 0 HHADLP Cc1ccc(Br)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000534938957 1006978346 /nfs/dbraw/zinc/97/83/46/1006978346.db2.gz NSEJKHLKWNRULP-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(Sc4ccc(Cl)cc4)CC3)cn2)CC1 ZINC000538723120 1006998456 /nfs/dbraw/zinc/99/84/56/1006998456.db2.gz KNLBWIASPONTAS-UHFFFAOYSA-N 2 2 418.010 3.639 20 0 HHADLP CC[N@H+](Cc1ccc2c(c1)nnn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538731413 1007011639 /nfs/dbraw/zinc/01/16/39/1007011639.db2.gz JGEBNGGDDZALDW-UHFFFAOYSA-N 2 2 407.566 3.681 20 0 HHADLP CC[N@@H+](Cc1ccc2c(c1)nnn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538731413 1007011651 /nfs/dbraw/zinc/01/16/51/1007011651.db2.gz JGEBNGGDDZALDW-UHFFFAOYSA-N 2 2 407.566 3.681 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093015 1007106963 /nfs/dbraw/zinc/10/69/63/1007106963.db2.gz ARHKTNSPMZQKJO-YSZBQJHXSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093015 1007106971 /nfs/dbraw/zinc/10/69/71/1007106971.db2.gz ARHKTNSPMZQKJO-YSZBQJHXSA-N 2 2 403.586 3.800 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095448 1007111769 /nfs/dbraw/zinc/11/17/69/1007111769.db2.gz LDHSJYIAIQCQMV-VEXUSMLFSA-N 2 2 415.622 3.984 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095448 1007111775 /nfs/dbraw/zinc/11/17/75/1007111775.db2.gz LDHSJYIAIQCQMV-VEXUSMLFSA-N 2 2 415.622 3.984 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000516503559 1007113124 /nfs/dbraw/zinc/11/31/24/1007113124.db2.gz PAJBKQGPTAQYNI-RXVVDRJESA-N 2 2 400.592 3.575 20 0 HHADLP CN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096981 1007114111 /nfs/dbraw/zinc/11/41/11/1007114111.db2.gz RANZGLRIHDUEMT-PMOQBDJRSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)C[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096981 1007114119 /nfs/dbraw/zinc/11/41/19/1007114119.db2.gz RANZGLRIHDUEMT-PMOQBDJRSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096574 1007114238 /nfs/dbraw/zinc/11/42/38/1007114238.db2.gz VGUGYANZQQPBEJ-FCHUYYIVSA-N 2 2 418.651 3.501 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096574 1007114245 /nfs/dbraw/zinc/11/42/45/1007114245.db2.gz VGUGYANZQQPBEJ-FCHUYYIVSA-N 2 2 418.651 3.501 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097081 1007115277 /nfs/dbraw/zinc/11/52/77/1007115277.db2.gz VZIHFKWMPFRAKR-SFTDATJTSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097081 1007115281 /nfs/dbraw/zinc/11/52/81/1007115281.db2.gz VZIHFKWMPFRAKR-SFTDATJTSA-N 2 2 423.548 3.626 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097159 1007115485 /nfs/dbraw/zinc/11/54/85/1007115485.db2.gz XINLITQSOQKWOO-DHIUTWEWSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097159 1007115495 /nfs/dbraw/zinc/11/54/95/1007115495.db2.gz XINLITQSOQKWOO-DHIUTWEWSA-N 2 2 415.622 3.814 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097056 1007115625 /nfs/dbraw/zinc/11/56/25/1007115625.db2.gz XYLIQMFJCXZLFP-FCHUYYIVSA-N 2 2 419.585 3.563 20 0 HHADLP COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535097056 1007115631 /nfs/dbraw/zinc/11/56/31/1007115631.db2.gz XYLIQMFJCXZLFP-FCHUYYIVSA-N 2 2 419.585 3.563 20 0 HHADLP CC[N@H+](CCC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1)CC1CC1 ZINC000538858139 1007133449 /nfs/dbraw/zinc/13/34/49/1007133449.db2.gz QZFIFJUHLJZEKY-UHFFFAOYSA-N 2 2 404.624 3.992 20 0 HHADLP CC[N@@H+](CCC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1)CC1CC1 ZINC000538858139 1007133453 /nfs/dbraw/zinc/13/34/53/1007133453.db2.gz QZFIFJUHLJZEKY-UHFFFAOYSA-N 2 2 404.624 3.992 20 0 HHADLP CN(C(=O)N[C@@H]1CCCc2occc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535112501 1007138442 /nfs/dbraw/zinc/13/84/42/1007138442.db2.gz QIKHPJUTQWSXJM-NJDAHSKKSA-N 2 2 402.583 3.636 20 0 HHADLP CN(C(=O)N[C@@H]1CCCc2occc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535112501 1007138446 /nfs/dbraw/zinc/13/84/46/1007138446.db2.gz QIKHPJUTQWSXJM-NJDAHSKKSA-N 2 2 402.583 3.636 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734038 1007144832 /nfs/dbraw/zinc/14/48/32/1007144832.db2.gz GFZIFNSHKZFUNY-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734038 1007144836 /nfs/dbraw/zinc/14/48/36/1007144836.db2.gz GFZIFNSHKZFUNY-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117389 1007146765 /nfs/dbraw/zinc/14/67/65/1007146765.db2.gz QTJATCYZJNXEEM-VQTJNVASSA-N 2 2 410.965 3.740 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117389 1007146772 /nfs/dbraw/zinc/14/67/72/1007146772.db2.gz QTJATCYZJNXEEM-VQTJNVASSA-N 2 2 410.965 3.740 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118725 1007149485 /nfs/dbraw/zinc/14/94/85/1007149485.db2.gz WOKBHRHVWIOLIU-PPRPKMEESA-N 2 2 410.965 3.596 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118725 1007149490 /nfs/dbraw/zinc/14/94/90/1007149490.db2.gz WOKBHRHVWIOLIU-PPRPKMEESA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118725 1007149498 /nfs/dbraw/zinc/14/94/98/1007149498.db2.gz WOKBHRHVWIOLIU-PPRPKMEESA-N 2 2 410.965 3.596 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000535118725 1007149505 /nfs/dbraw/zinc/14/95/05/1007149505.db2.gz WOKBHRHVWIOLIU-PPRPKMEESA-N 2 2 410.965 3.596 20 0 HHADLP CN(C(=O)N[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122563 1007155833 /nfs/dbraw/zinc/15/58/33/1007155833.db2.gz SWQCCVGZSZRQGW-QXAKKESOSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)N[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122563 1007155838 /nfs/dbraw/zinc/15/58/38/1007155838.db2.gz SWQCCVGZSZRQGW-QXAKKESOSA-N 2 2 400.558 3.543 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122529 1007156194 /nfs/dbraw/zinc/15/61/94/1007156194.db2.gz SYHKHVIQHGECFD-FFZOFVMBSA-N 2 2 421.655 3.745 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122529 1007156198 /nfs/dbraw/zinc/15/61/98/1007156198.db2.gz SYHKHVIQHGECFD-FFZOFVMBSA-N 2 2 421.655 3.745 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)CC1CC1 ZINC000538913898 1007197432 /nfs/dbraw/zinc/19/74/32/1007197432.db2.gz NPVPTWFWIOPTQP-UHFFFAOYSA-N 2 2 413.610 3.594 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)CC1CC1 ZINC000538913898 1007197442 /nfs/dbraw/zinc/19/74/42/1007197442.db2.gz NPVPTWFWIOPTQP-UHFFFAOYSA-N 2 2 413.610 3.594 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC[C@H]4CCCO4)cc3)[nH+]c2)CC1 ZINC000532865900 1007253168 /nfs/dbraw/zinc/25/31/68/1007253168.db2.gz KNEMGWQYSLCPAY-HSZRJFAPSA-N 2 2 410.562 3.782 20 0 HHADLP COc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000535221713 1007273473 /nfs/dbraw/zinc/27/34/73/1007273473.db2.gz ROHZNRLTSYKBAS-UHFFFAOYSA-N 2 2 402.564 3.610 20 0 HHADLP Cn1c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)nc2cc(C(F)(F)F)ccc21 ZINC000516992181 1007361801 /nfs/dbraw/zinc/36/18/01/1007361801.db2.gz CLWPADMCUQPQAY-UHFFFAOYSA-N 2 2 421.467 3.607 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069980 1007362041 /nfs/dbraw/zinc/36/20/41/1007362041.db2.gz BXVYWVSKONDJJT-OXJNMPFZSA-N 2 2 401.938 3.549 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000539069980 1007362053 /nfs/dbraw/zinc/36/20/53/1007362053.db2.gz BXVYWVSKONDJJT-OXJNMPFZSA-N 2 2 401.938 3.549 20 0 HHADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000535326630 1007379830 /nfs/dbraw/zinc/37/98/30/1007379830.db2.gz LZQXOLVNCGIALG-NRFANRHFSA-N 2 2 413.525 3.998 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148094 1007443350 /nfs/dbraw/zinc/44/33/50/1007443350.db2.gz NKTXZZNDCJPWEI-FCHUYYIVSA-N 2 2 401.595 3.721 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148094 1007443354 /nfs/dbraw/zinc/44/33/54/1007443354.db2.gz NKTXZZNDCJPWEI-FCHUYYIVSA-N 2 2 401.595 3.721 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)CCC2 ZINC000533089357 1007448642 /nfs/dbraw/zinc/44/86/42/1007448642.db2.gz MXSRKKODXOLURO-IPMKNSEASA-N 2 2 406.530 3.656 20 0 HHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000533104798 1007457466 /nfs/dbraw/zinc/45/74/66/1007457466.db2.gz BYLFMPGAFIFYPU-XMMPIXPASA-N 2 2 404.514 3.688 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000517151597 1007463566 /nfs/dbraw/zinc/46/35/66/1007463566.db2.gz IKSQJERUQGBCPG-XMMPIXPASA-N 2 2 408.590 3.638 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000517151597 1007463577 /nfs/dbraw/zinc/46/35/77/1007463577.db2.gz IKSQJERUQGBCPG-XMMPIXPASA-N 2 2 408.590 3.638 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000539220105 1007511133 /nfs/dbraw/zinc/51/11/33/1007511133.db2.gz GMILQUGMCAEHQS-MRXNPFEDSA-N 2 2 411.531 3.546 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000535505986 1007561791 /nfs/dbraw/zinc/56/17/91/1007561791.db2.gz ACIAHSIEAXZAJO-CTNGQTDRSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000535505986 1007561798 /nfs/dbraw/zinc/56/17/98/1007561798.db2.gz ACIAHSIEAXZAJO-CTNGQTDRSA-N 2 2 419.338 3.802 20 0 HHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC(C[NH+](C)C)CC3)n2)c(C)c1 ZINC000533242518 1007562877 /nfs/dbraw/zinc/56/28/77/1007562877.db2.gz LFEABLQRWIHSQP-UHFFFAOYSA-N 2 2 400.592 3.947 20 0 HHADLP O=C(CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539275938 1007570045 /nfs/dbraw/zinc/57/00/45/1007570045.db2.gz HFJLLTXIEBJJTK-GOSISDBHSA-N 2 2 424.442 3.543 20 0 HHADLP O=C(CC[NH2+][C@H](c1cccc(F)c1)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539326023 1007624989 /nfs/dbraw/zinc/62/49/89/1007624989.db2.gz KUOQMUJQVWLUPA-DEOSSOPVSA-N 2 2 410.537 3.781 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000535800111 1007806476 /nfs/dbraw/zinc/80/64/76/1007806476.db2.gz RAOJYRLQMOLBHO-MNEFBYGVSA-N 2 2 408.384 3.527 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000535800111 1007806488 /nfs/dbraw/zinc/80/64/88/1007806488.db2.gz RAOJYRLQMOLBHO-MNEFBYGVSA-N 2 2 408.384 3.527 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000535800108 1007806561 /nfs/dbraw/zinc/80/65/61/1007806561.db2.gz RAOJYRLQMOLBHO-ATZDWAIDSA-N 2 2 408.384 3.527 20 0 HHADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000535800108 1007806586 /nfs/dbraw/zinc/80/65/86/1007806586.db2.gz RAOJYRLQMOLBHO-ATZDWAIDSA-N 2 2 408.384 3.527 20 0 HHADLP c1ccc([C@H](CC2CCC2)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539508364 1007818157 /nfs/dbraw/zinc/81/81/57/1007818157.db2.gz OBQHDHFVXGIFDR-GOTSBHOMSA-N 2 2 421.589 3.803 20 0 HHADLP CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531731 1007853794 /nfs/dbraw/zinc/85/37/94/1007853794.db2.gz LAYRGAQRBSJXRN-RTBURBONSA-N 2 2 415.626 3.704 20 0 HHADLP CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531731 1007853815 /nfs/dbraw/zinc/85/38/15/1007853815.db2.gz LAYRGAQRBSJXRN-RTBURBONSA-N 2 2 415.626 3.704 20 0 HHADLP CC[N@H+](CC(=O)NCc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533432 1007856106 /nfs/dbraw/zinc/85/61/06/1007856106.db2.gz YXSGRFSHNIDIPS-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP CC[N@@H+](CC(=O)NCc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533432 1007856139 /nfs/dbraw/zinc/85/61/39/1007856139.db2.gz YXSGRFSHNIDIPS-UHFFFAOYSA-N 2 2 423.605 3.824 20 0 HHADLP CN(C(=O)[C@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849878 1007862251 /nfs/dbraw/zinc/86/22/51/1007862251.db2.gz WMDUCUCSROWGLQ-HBMCJLEFSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)[C@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849878 1007862256 /nfs/dbraw/zinc/86/22/56/1007862256.db2.gz WMDUCUCSROWGLQ-HBMCJLEFSA-N 2 2 401.620 3.672 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851967 1007865821 /nfs/dbraw/zinc/86/58/21/1007865821.db2.gz YRZFJYGRPVXVQJ-FGZHOGPDSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851967 1007865830 /nfs/dbraw/zinc/86/58/30/1007865830.db2.gz YRZFJYGRPVXVQJ-FGZHOGPDSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851503 1007866353 /nfs/dbraw/zinc/86/63/53/1007866353.db2.gz CRCSQOHUIIWVDQ-RTBURBONSA-N 2 2 405.608 3.507 20 0 HHADLP CN(C(=O)CCC(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851503 1007866359 /nfs/dbraw/zinc/86/63/59/1007866359.db2.gz CRCSQOHUIIWVDQ-RTBURBONSA-N 2 2 405.608 3.507 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851728 1007866682 /nfs/dbraw/zinc/86/66/82/1007866682.db2.gz NKZJQRIUKHTGDH-MTNREXPMSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851728 1007866686 /nfs/dbraw/zinc/86/66/86/1007866686.db2.gz NKZJQRIUKHTGDH-MTNREXPMSA-N 2 2 422.013 3.903 20 0 HHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874306 1007891097 /nfs/dbraw/zinc/89/10/97/1007891097.db2.gz AMZFCBQUFVCXNW-VDGAXYAQSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874306 1007891115 /nfs/dbraw/zinc/89/11/15/1007891115.db2.gz AMZFCBQUFVCXNW-VDGAXYAQSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874306 1007891128 /nfs/dbraw/zinc/89/11/28/1007891128.db2.gz AMZFCBQUFVCXNW-VDGAXYAQSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535874306 1007891140 /nfs/dbraw/zinc/89/11/40/1007891140.db2.gz AMZFCBQUFVCXNW-VDGAXYAQSA-N 2 2 410.965 3.740 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626804 1007929727 /nfs/dbraw/zinc/92/97/27/1007929727.db2.gz PREIPEFFESJRNO-LMMKCTJWSA-N 2 2 424.973 3.888 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000533626804 1007929758 /nfs/dbraw/zinc/92/97/58/1007929758.db2.gz PREIPEFFESJRNO-LMMKCTJWSA-N 2 2 424.973 3.888 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646885 1007955383 /nfs/dbraw/zinc/95/53/83/1007955383.db2.gz HLEGTLUXLCUMDJ-RPBOFIJWSA-N 2 2 424.633 3.999 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646885 1007955398 /nfs/dbraw/zinc/95/53/98/1007955398.db2.gz HLEGTLUXLCUMDJ-RPBOFIJWSA-N 2 2 424.633 3.999 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647506 1007957025 /nfs/dbraw/zinc/95/70/25/1007957025.db2.gz HNWLHILHBFOINP-LEWJYISDSA-N 2 2 417.594 3.503 20 0 HHADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000533647506 1007957040 /nfs/dbraw/zinc/95/70/40/1007957040.db2.gz HNWLHILHBFOINP-LEWJYISDSA-N 2 2 417.594 3.503 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649294 1007959847 /nfs/dbraw/zinc/95/98/47/1007959847.db2.gz RXWCGWDYCAPJRK-SSKFGXFMSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000533649294 1007959852 /nfs/dbraw/zinc/95/98/52/1007959852.db2.gz RXWCGWDYCAPJRK-SSKFGXFMSA-N 2 2 407.549 3.864 20 0 HHADLP CN(C(=O)[C@H]1SCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649947 1007960322 /nfs/dbraw/zinc/96/03/22/1007960322.db2.gz ZCLYJIGVBVLBJY-VJBWXMMDSA-N 2 2 415.647 3.813 20 0 HHADLP CN(C(=O)[C@H]1SCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649947 1007960330 /nfs/dbraw/zinc/96/03/30/1007960330.db2.gz ZCLYJIGVBVLBJY-VJBWXMMDSA-N 2 2 415.647 3.813 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650264 1007962842 /nfs/dbraw/zinc/96/28/42/1007962842.db2.gz SLPXHYAQJKIWIH-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000533650264 1007962855 /nfs/dbraw/zinc/96/28/55/1007962855.db2.gz SLPXHYAQJKIWIH-ZEQRLZLVSA-N 2 2 423.605 3.590 20 0 HHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cn1cccn1 ZINC000539660860 1007977929 /nfs/dbraw/zinc/97/79/29/1007977929.db2.gz QZPKYXYIXLDTEK-GCJKJVERSA-N 2 2 420.561 3.648 20 0 HHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cn1cccn1 ZINC000539660863 1007978036 /nfs/dbraw/zinc/97/80/36/1007978036.db2.gz QZPKYXYIXLDTEK-XMSQKQJNSA-N 2 2 420.561 3.648 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672437 1007990611 /nfs/dbraw/zinc/99/06/11/1007990611.db2.gz QJDQOSMGQPPQED-BJKOFHAPSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cccc(C)c1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672437 1007990618 /nfs/dbraw/zinc/99/06/18/1007990618.db2.gz QJDQOSMGQPPQED-BJKOFHAPSA-N 2 2 414.638 3.825 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673318 1007993176 /nfs/dbraw/zinc/99/31/76/1007993176.db2.gz NGJNBTYFKHMKNF-SXSPYAJSSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673318 1007993186 /nfs/dbraw/zinc/99/31/86/1007993186.db2.gz NGJNBTYFKHMKNF-SXSPYAJSSA-N 2 2 418.601 3.908 20 0 HHADLP CN(C(=O)N[C@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533674180 1007994278 /nfs/dbraw/zinc/99/42/78/1007994278.db2.gz KHGHHTCLHAFBTK-HBMCJLEFSA-N 2 2 416.635 3.812 20 0 HHADLP CN(C(=O)N[C@H]1CSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533674180 1007994283 /nfs/dbraw/zinc/99/42/83/1007994283.db2.gz KHGHHTCLHAFBTK-HBMCJLEFSA-N 2 2 416.635 3.812 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000539823984 1008117978 /nfs/dbraw/zinc/11/79/78/1008117978.db2.gz RDICSDHOCVGWDI-UHFFFAOYSA-N 3 2 409.622 3.560 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000539823984 1008117985 /nfs/dbraw/zinc/11/79/85/1008117985.db2.gz RDICSDHOCVGWDI-UHFFFAOYSA-N 3 2 409.622 3.560 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824424 1008135708 /nfs/dbraw/zinc/13/57/08/1008135708.db2.gz HOBYEISFSAPVRK-GOTSBHOMSA-N 2 2 403.530 3.727 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824424 1008135713 /nfs/dbraw/zinc/13/57/13/1008135713.db2.gz HOBYEISFSAPVRK-GOTSBHOMSA-N 2 2 403.530 3.727 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540037369 1008250504 /nfs/dbraw/zinc/25/05/04/1008250504.db2.gz CGRNXQDXCRTLOF-UHFFFAOYSA-N 2 2 409.921 3.563 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000518443034 1008308585 /nfs/dbraw/zinc/30/85/85/1008308585.db2.gz DCVLJTXNKPKUHF-IBGZPJMESA-N 2 2 410.537 3.571 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540242427 1008349680 /nfs/dbraw/zinc/34/96/80/1008349680.db2.gz KJUUGWXLNMYTMQ-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540242427 1008349682 /nfs/dbraw/zinc/34/96/82/1008349682.db2.gz KJUUGWXLNMYTMQ-WOJBJXKFSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)CCc1nc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540248485 1008352190 /nfs/dbraw/zinc/35/21/90/1008352190.db2.gz RBHVAQPSBTYOAA-KDURUIRLSA-N 2 2 409.640 3.822 20 0 HHADLP CC(C)CCc1nc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540248485 1008352192 /nfs/dbraw/zinc/35/21/92/1008352192.db2.gz RBHVAQPSBTYOAA-KDURUIRLSA-N 2 2 409.640 3.822 20 0 HHADLP COc1ccccc1[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000540299952 1008372407 /nfs/dbraw/zinc/37/24/07/1008372407.db2.gz FEHKOZZTZPBIOZ-RUZDIDTESA-N 2 2 422.573 3.650 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000540317206 1008377322 /nfs/dbraw/zinc/37/73/22/1008377322.db2.gz IHIYSKLADOCVMN-BULFRSBZSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000540317206 1008377326 /nfs/dbraw/zinc/37/73/26/1008377326.db2.gz IHIYSKLADOCVMN-BULFRSBZSA-N 2 2 415.375 3.909 20 0 HHADLP CCOC(=O)c1sc2cccc(F)c2c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000540318077 1008377696 /nfs/dbraw/zinc/37/76/96/1008377696.db2.gz GHSNAUWSARSCIP-UHFFFAOYSA-N 2 2 421.582 3.675 20 0 HHADLP CCOC(=O)c1sc2cccc(F)c2c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540318077 1008377700 /nfs/dbraw/zinc/37/77/00/1008377700.db2.gz GHSNAUWSARSCIP-UHFFFAOYSA-N 2 2 421.582 3.675 20 0 HHADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000540325272 1008380911 /nfs/dbraw/zinc/38/09/11/1008380911.db2.gz FXWCTNKCVWZQEJ-MRXNPFEDSA-N 2 2 402.564 3.815 20 0 HHADLP CCC(CC)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000540379046 1008407179 /nfs/dbraw/zinc/40/71/79/1008407179.db2.gz GSQWXKQCESYOEQ-JOCHJYFZSA-N 2 2 400.592 3.949 20 0 HHADLP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)C[C@H]1C ZINC000540394831 1008415040 /nfs/dbraw/zinc/41/50/40/1008415040.db2.gz ABPAMISPWSFWQA-FGZHOGPDSA-N 3 2 422.617 3.849 20 0 HHADLP COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000540409186 1008421071 /nfs/dbraw/zinc/42/10/71/1008421071.db2.gz ADGHALNNYADYEJ-FCHUYYIVSA-N 2 2 415.965 3.570 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1)C[C@H]1CCCCO1 ZINC000540419955 1008425429 /nfs/dbraw/zinc/42/54/29/1008425429.db2.gz OGULNIHJRPPFOG-DENIHFKCSA-N 2 2 419.635 3.842 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1)C[C@H]1CCCCO1 ZINC000540419955 1008425432 /nfs/dbraw/zinc/42/54/32/1008425432.db2.gz OGULNIHJRPPFOG-DENIHFKCSA-N 2 2 419.635 3.842 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540527614 1008468516 /nfs/dbraw/zinc/46/85/16/1008468516.db2.gz SOIIPFLMQISIHI-FCHUYYIVSA-N 2 2 400.567 3.518 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540527614 1008468518 /nfs/dbraw/zinc/46/85/18/1008468518.db2.gz SOIIPFLMQISIHI-FCHUYYIVSA-N 2 2 400.567 3.518 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(c4nccs4)CCCC3)CC2)cc1 ZINC000540550618 1008477174 /nfs/dbraw/zinc/47/71/74/1008477174.db2.gz ALFFLUJXJZNARG-UHFFFAOYSA-N 2 2 412.603 3.545 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(c4nccs4)CCCC3)CC2)cc1 ZINC000540550618 1008477176 /nfs/dbraw/zinc/47/71/76/1008477176.db2.gz ALFFLUJXJZNARG-UHFFFAOYSA-N 2 2 412.603 3.545 20 0 HHADLP O=C(c1ccccc1F)N(CC(F)(F)F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000540556380 1008480294 /nfs/dbraw/zinc/48/02/94/1008480294.db2.gz XSDUNKLZIXBHQL-UHFFFAOYSA-N 2 2 412.431 3.581 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540559028 1008481400 /nfs/dbraw/zinc/48/14/00/1008481400.db2.gz UUTOYIFJGJBSER-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540559028 1008481402 /nfs/dbraw/zinc/48/14/02/1008481402.db2.gz UUTOYIFJGJBSER-PKTZIBPZSA-N 2 2 424.593 3.673 20 0 HHADLP CCc1[nH+]c2ccccc2c(N2CCC[N@H+](Cc3nc([C@@H](C)OC)no3)CC2)c1C ZINC000519084032 1008524143 /nfs/dbraw/zinc/52/41/43/1008524143.db2.gz ZBGYUBANAFCTBG-QGZVFWFLSA-N 2 2 409.534 3.908 20 0 HHADLP CCc1[nH+]c2ccccc2c(N2CCC[N@@H+](Cc3nc([C@@H](C)OC)no3)CC2)c1C ZINC000519084032 1008524148 /nfs/dbraw/zinc/52/41/48/1008524148.db2.gz ZBGYUBANAFCTBG-QGZVFWFLSA-N 2 2 409.534 3.908 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545461225 1008571632 /nfs/dbraw/zinc/57/16/32/1008571632.db2.gz SWBJITGLOVTOKT-IBGZPJMESA-N 2 2 422.411 3.826 20 0 HHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545461225 1008571642 /nfs/dbraw/zinc/57/16/42/1008571642.db2.gz SWBJITGLOVTOKT-IBGZPJMESA-N 2 2 422.411 3.826 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519191203 1008592136 /nfs/dbraw/zinc/59/21/36/1008592136.db2.gz MLPIMBFXAMFWKB-HDICACEKSA-N 2 2 407.986 3.798 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519191203 1008592147 /nfs/dbraw/zinc/59/21/47/1008592147.db2.gz MLPIMBFXAMFWKB-HDICACEKSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000519196655 1008598616 /nfs/dbraw/zinc/59/86/16/1008598616.db2.gz MVAYZGPMOIVIKP-IBGZPJMESA-N 2 2 402.583 3.856 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000519196655 1008598629 /nfs/dbraw/zinc/59/86/29/1008598629.db2.gz MVAYZGPMOIVIKP-IBGZPJMESA-N 2 2 402.583 3.856 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000543060800 1008638540 /nfs/dbraw/zinc/63/85/40/1008638540.db2.gz PUJXUJKPLXLLLL-GOSISDBHSA-N 2 2 416.541 3.570 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158907 1008728197 /nfs/dbraw/zinc/72/81/97/1008728197.db2.gz OYLITAYBSWXITB-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158907 1008728209 /nfs/dbraw/zinc/72/82/09/1008728209.db2.gz OYLITAYBSWXITB-CVDCTZTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158908 1008728847 /nfs/dbraw/zinc/72/88/47/1008728847.db2.gz OYLITAYBSWXITB-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000549158908 1008728861 /nfs/dbraw/zinc/72/88/61/1008728861.db2.gz OYLITAYBSWXITB-WMZHIEFXSA-N 2 2 403.530 3.566 20 0 HHADLP CCc1oc2ccccc2c1C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506403 1008877792 /nfs/dbraw/zinc/87/77/92/1008877792.db2.gz KBGWQRFPQLDHFS-UHFFFAOYSA-N 2 2 406.530 3.561 20 0 HHADLP CCc1oc2ccccc2c1C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519506403 1008877807 /nfs/dbraw/zinc/87/78/07/1008877807.db2.gz KBGWQRFPQLDHFS-UHFFFAOYSA-N 2 2 406.530 3.561 20 0 HHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000519530955 1008895206 /nfs/dbraw/zinc/89/52/06/1008895206.db2.gz FEAMXYHCGJSXSM-RPWUZVMVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000519530955 1008895222 /nfs/dbraw/zinc/89/52/22/1008895222.db2.gz FEAMXYHCGJSXSM-RPWUZVMVSA-N 2 2 409.574 3.511 20 0 HHADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)cc2Br)c1 ZINC000543446417 1009032892 /nfs/dbraw/zinc/03/28/92/1009032892.db2.gz GQXOERYCKBUZBH-UHFFFAOYSA-N 2 2 413.157 3.958 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047710 1009072236 /nfs/dbraw/zinc/07/22/36/1009072236.db2.gz WCKAOYDRTAUPIP-UEVCKROQSA-N 2 2 400.611 3.769 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546047710 1009072260 /nfs/dbraw/zinc/07/22/60/1009072260.db2.gz WCKAOYDRTAUPIP-UEVCKROQSA-N 2 2 400.611 3.769 20 0 HHADLP C[NH+]1CCN(CCCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707559 1009314084 /nfs/dbraw/zinc/31/40/84/1009314084.db2.gz BUZIUHDRWVZNFD-HXUWFJFHSA-N 2 2 406.368 3.749 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1C ZINC000549801083 1009407078 /nfs/dbraw/zinc/40/70/78/1009407078.db2.gz QIWGQGJWPMPEPQ-CALCHBBNSA-N 2 2 418.607 3.990 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1C ZINC000549801083 1009407095 /nfs/dbraw/zinc/40/70/95/1009407095.db2.gz QIWGQGJWPMPEPQ-CALCHBBNSA-N 2 2 418.607 3.990 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000543876451 1009449232 /nfs/dbraw/zinc/44/92/32/1009449232.db2.gz LGBCVKYZDWIEAC-LJQANCHMSA-N 2 2 410.965 3.571 20 0 HHADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000543876451 1009449240 /nfs/dbraw/zinc/44/92/40/1009449240.db2.gz LGBCVKYZDWIEAC-LJQANCHMSA-N 2 2 410.965 3.571 20 0 HHADLP CC(=O)c1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000543966698 1009569842 /nfs/dbraw/zinc/56/98/42/1009569842.db2.gz GMLHMYFMDRWFIO-UHFFFAOYSA-N 2 2 406.958 3.614 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543970329 1009572688 /nfs/dbraw/zinc/57/26/88/1009572688.db2.gz ADRUSLDBHZZIQB-HSZRJFAPSA-N 2 2 409.578 3.750 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543970329 1009572703 /nfs/dbraw/zinc/57/27/03/1009572703.db2.gz ADRUSLDBHZZIQB-HSZRJFAPSA-N 2 2 409.578 3.750 20 0 HHADLP Cc1cc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n(-c2ccc(C)cc2)n1 ZINC000543988471 1009587904 /nfs/dbraw/zinc/58/79/04/1009587904.db2.gz RNWFEYVUTBBUFO-UHFFFAOYSA-N 2 2 420.561 3.817 20 0 HHADLP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163342 1009744276 /nfs/dbraw/zinc/74/42/76/1009744276.db2.gz FKHUYASBRCJFRV-RTBURBONSA-N 2 2 422.013 3.510 20 0 HHADLP CC[N@@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)Cc1ccccc1Cl ZINC000550163342 1009744293 /nfs/dbraw/zinc/74/42/93/1009744293.db2.gz FKHUYASBRCJFRV-RTBURBONSA-N 2 2 422.013 3.510 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873413 1009835301 /nfs/dbraw/zinc/83/53/01/1009835301.db2.gz VBIMOPXKNLQQKE-VXKWHMMOSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873413 1009835307 /nfs/dbraw/zinc/83/53/07/1009835307.db2.gz VBIMOPXKNLQQKE-VXKWHMMOSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873369 1009835966 /nfs/dbraw/zinc/83/59/66/1009835966.db2.gz VBIMOPXKNLQQKE-FCHUYYIVSA-N 2 2 414.981 3.551 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000546873369 1009835978 /nfs/dbraw/zinc/83/59/78/1009835978.db2.gz VBIMOPXKNLQQKE-FCHUYYIVSA-N 2 2 414.981 3.551 20 0 HHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000550293816 1009840073 /nfs/dbraw/zinc/84/00/73/1009840073.db2.gz SISBBAJBICNKBZ-GOSISDBHSA-N 2 2 413.528 3.759 20 0 HHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550293816 1009840091 /nfs/dbraw/zinc/84/00/91/1009840091.db2.gz SISBBAJBICNKBZ-GOSISDBHSA-N 2 2 413.528 3.759 20 0 HHADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000544256765 1009869844 /nfs/dbraw/zinc/86/98/44/1009869844.db2.gz CURMWWWZPCVWQP-MZYLBHOOSA-N 2 2 406.574 3.707 20 0 HHADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000544256765 1009869864 /nfs/dbraw/zinc/86/98/64/1009869864.db2.gz CURMWWWZPCVWQP-MZYLBHOOSA-N 2 2 406.574 3.707 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892058 1009947332 /nfs/dbraw/zinc/94/73/32/1009947332.db2.gz YEJXMEBUMUPVOB-QUCCMNQESA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892058 1009947346 /nfs/dbraw/zinc/94/73/46/1009947346.db2.gz YEJXMEBUMUPVOB-QUCCMNQESA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892058 1009947359 /nfs/dbraw/zinc/94/73/59/1009947359.db2.gz YEJXMEBUMUPVOB-QUCCMNQESA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892058 1009947371 /nfs/dbraw/zinc/94/73/71/1009947371.db2.gz YEJXMEBUMUPVOB-QUCCMNQESA-N 2 2 417.594 3.697 20 0 HHADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc2cccnc12 ZINC000544349363 1009975556 /nfs/dbraw/zinc/97/55/56/1009975556.db2.gz SJWLKRZSISDJLN-QFIPXVFZSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc2cccnc12 ZINC000544349363 1009975565 /nfs/dbraw/zinc/97/55/65/1009975565.db2.gz SJWLKRZSISDJLN-QFIPXVFZSA-N 2 2 415.585 3.972 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386046 1010009136 /nfs/dbraw/zinc/00/91/36/1010009136.db2.gz PZUXRGYTXWTFNM-UWJYYQICSA-N 2 2 409.509 3.704 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386046 1010009151 /nfs/dbraw/zinc/00/91/51/1010009151.db2.gz PZUXRGYTXWTFNM-UWJYYQICSA-N 2 2 409.509 3.704 20 0 HHADLP C[C@@H](CC[NH+](C)C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000521017808 1010053743 /nfs/dbraw/zinc/05/37/43/1010053743.db2.gz DEEFEBUHBIYWSF-INIZCTEOSA-N 2 2 409.937 3.618 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000550622840 1010069487 /nfs/dbraw/zinc/06/94/87/1010069487.db2.gz YRUXLVNZCWQWHE-HJOGWXRNSA-N 2 2 407.558 3.521 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C[C@H]1c1ccccc1 ZINC000550622840 1010069502 /nfs/dbraw/zinc/06/95/02/1010069502.db2.gz YRUXLVNZCWQWHE-HJOGWXRNSA-N 2 2 407.558 3.521 20 0 HHADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2ccccc2c1 ZINC000521066182 1010084652 /nfs/dbraw/zinc/08/46/52/1010084652.db2.gz UCUUCAGFIXPFRZ-UHFFFAOYSA-N 2 2 402.542 3.796 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2ccccc2c1 ZINC000521066182 1010084666 /nfs/dbraw/zinc/08/46/66/1010084666.db2.gz UCUUCAGFIXPFRZ-UHFFFAOYSA-N 2 2 402.542 3.796 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544464538 1010088058 /nfs/dbraw/zinc/08/80/58/1010088058.db2.gz TUBXVIGZCHXRKT-UHFFFAOYSA-N 2 2 403.530 3.649 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544464538 1010088069 /nfs/dbraw/zinc/08/80/69/1010088069.db2.gz TUBXVIGZCHXRKT-UHFFFAOYSA-N 2 2 403.530 3.649 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000544506741 1010128372 /nfs/dbraw/zinc/12/83/72/1010128372.db2.gz JCWXVUNLTKHOLL-SFHVURJKSA-N 2 2 415.541 3.574 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000544506741 1010128375 /nfs/dbraw/zinc/12/83/75/1010128375.db2.gz JCWXVUNLTKHOLL-SFHVURJKSA-N 2 2 415.541 3.574 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000547326708 1010253892 /nfs/dbraw/zinc/25/38/92/1010253892.db2.gz AOKMNLGOYLBKBZ-QFIPXVFZSA-N 2 2 422.013 3.702 20 0 HHADLP c1cn(Cc2cccc(-c3noc([C@H]4CCC[N@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000544950087 1010513860 /nfs/dbraw/zinc/51/38/60/1010513860.db2.gz AKHXWUQNGIEYNI-NRFANRHFSA-N 2 2 400.486 3.756 20 0 HHADLP c1cn(Cc2cccc(-c3noc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)c2)c[nH+]1 ZINC000544950087 1010513868 /nfs/dbraw/zinc/51/38/68/1010513868.db2.gz AKHXWUQNGIEYNI-NRFANRHFSA-N 2 2 400.486 3.756 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnc(OC)c(Cl)c3)cc2)CC1 ZINC000551542082 1010648893 /nfs/dbraw/zinc/64/88/93/1010648893.db2.gz XALBDQWOOOEOCN-KRWDZBQOSA-N 2 2 402.970 3.732 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000522073794 1010793337 /nfs/dbraw/zinc/79/33/37/1010793337.db2.gz BOTBKDIBDXLCEO-LJQANCHMSA-N 2 2 410.562 3.853 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000522073794 1010793341 /nfs/dbraw/zinc/79/33/41/1010793341.db2.gz BOTBKDIBDXLCEO-LJQANCHMSA-N 2 2 410.562 3.853 20 0 HHADLP Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904439 1011349235 /nfs/dbraw/zinc/34/92/35/1011349235.db2.gz SRUPNGXBNIILGU-VIZSFHNOSA-N 2 2 417.594 3.542 20 0 HHADLP COc1cccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000522953693 1011398953 /nfs/dbraw/zinc/39/89/53/1011398953.db2.gz RIAVESPOBLOSRD-UHFFFAOYSA-N 2 2 422.573 3.727 20 0 HHADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(F)ccc2F)c1 ZINC000540908280 1011578971 /nfs/dbraw/zinc/57/89/71/1011578971.db2.gz CEWWYBCASUXXTL-NRFANRHFSA-N 2 2 419.497 3.724 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337883 1011814270 /nfs/dbraw/zinc/81/42/70/1011814270.db2.gz VGNAGZHMIQWLFJ-IEBWSBKVSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337883 1011814302 /nfs/dbraw/zinc/81/43/02/1011814302.db2.gz VGNAGZHMIQWLFJ-IEBWSBKVSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337883 1011814315 /nfs/dbraw/zinc/81/43/15/1011814315.db2.gz VGNAGZHMIQWLFJ-IEBWSBKVSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337883 1011814325 /nfs/dbraw/zinc/81/43/25/1011814325.db2.gz VGNAGZHMIQWLFJ-IEBWSBKVSA-N 2 2 413.591 3.621 20 0 HHADLP Cn1c2cc(Cl)ccc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536666593 1011820257 /nfs/dbraw/zinc/82/02/57/1011820257.db2.gz NLPPQFWCODGJKO-UHFFFAOYSA-N 3 2 418.029 3.855 20 0 HHADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536666593 1011820268 /nfs/dbraw/zinc/82/02/68/1011820268.db2.gz NLPPQFWCODGJKO-UHFFFAOYSA-N 3 2 418.029 3.855 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541162562 1011825490 /nfs/dbraw/zinc/82/54/90/1011825490.db2.gz AMJNCPZZTGIWAR-UIAACRFSSA-N 2 2 418.944 3.968 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541162562 1011825507 /nfs/dbraw/zinc/82/55/07/1011825507.db2.gz AMJNCPZZTGIWAR-UIAACRFSSA-N 2 2 418.944 3.968 20 0 HHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000536676605 1011838243 /nfs/dbraw/zinc/83/82/43/1011838243.db2.gz QHYISRGYHXVXAW-UHFFFAOYSA-N 2 2 407.352 3.988 20 0 HHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000536676605 1011838260 /nfs/dbraw/zinc/83/82/60/1011838260.db2.gz QHYISRGYHXVXAW-UHFFFAOYSA-N 2 2 407.352 3.988 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551826640 1011985523 /nfs/dbraw/zinc/98/55/23/1011985523.db2.gz OGYFIJOBIHHXMT-UHFFFAOYSA-N 2 2 412.335 3.660 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000536866981 1012105321 /nfs/dbraw/zinc/10/53/21/1012105321.db2.gz AZCDQTRFCVKWTC-RJGXRXQPSA-N 2 2 421.589 3.516 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552111133 1012127946 /nfs/dbraw/zinc/12/79/46/1012127946.db2.gz RUTXRNKRVRPIFH-FQEVSTJZSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552111133 1012127956 /nfs/dbraw/zinc/12/79/56/1012127956.db2.gz RUTXRNKRVRPIFH-FQEVSTJZSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552111133 1012127965 /nfs/dbraw/zinc/12/79/65/1012127965.db2.gz RUTXRNKRVRPIFH-FQEVSTJZSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552111133 1012127972 /nfs/dbraw/zinc/12/79/72/1012127972.db2.gz RUTXRNKRVRPIFH-FQEVSTJZSA-N 2 2 403.368 3.861 20 0 HHADLP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000523586534 1012139038 /nfs/dbraw/zinc/13/90/38/1012139038.db2.gz QHVDLURUHYRJAI-INIZCTEOSA-N 2 2 416.957 3.617 20 0 HHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000536924074 1012207238 /nfs/dbraw/zinc/20/72/38/1012207238.db2.gz CISZPBDVQILVRU-QHCPKHFHSA-N 2 2 423.605 3.631 20 0 HHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000536924074 1012207249 /nfs/dbraw/zinc/20/72/49/1012207249.db2.gz CISZPBDVQILVRU-QHCPKHFHSA-N 2 2 423.605 3.631 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470439 1012236573 /nfs/dbraw/zinc/23/65/73/1012236573.db2.gz AKWPDBGGGHRZKC-OALUTQOASA-N 2 2 405.612 3.604 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470439 1012236583 /nfs/dbraw/zinc/23/65/83/1012236583.db2.gz AKWPDBGGGHRZKC-OALUTQOASA-N 2 2 405.612 3.604 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000523708135 1012314470 /nfs/dbraw/zinc/31/44/70/1012314470.db2.gz IUBUOSAZSABMHB-INIZCTEOSA-N 2 2 419.932 3.514 20 0 HHADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000523708135 1012314485 /nfs/dbraw/zinc/31/44/85/1012314485.db2.gz IUBUOSAZSABMHB-INIZCTEOSA-N 2 2 419.932 3.514 20 0 HHADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000537016565 1012317348 /nfs/dbraw/zinc/31/73/48/1012317348.db2.gz OOGBJLLLLHRDCP-ROUUACIJSA-N 2 2 403.592 3.894 20 0 HHADLP CC(C)(C)C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000537077939 1012423825 /nfs/dbraw/zinc/42/38/25/1012423825.db2.gz MRXKOOUUHFAJBE-XMMPIXPASA-N 2 2 423.601 3.902 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238399 1012677226 /nfs/dbraw/zinc/67/72/26/1012677226.db2.gz WEHPEVAMZBOCSX-NHCUHLMSSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238399 1012677233 /nfs/dbraw/zinc/67/72/33/1012677233.db2.gz WEHPEVAMZBOCSX-NHCUHLMSSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247924 1012693675 /nfs/dbraw/zinc/69/36/75/1012693675.db2.gz GIHFJGXGVLXUKA-XMMPIXPASA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247924 1012693684 /nfs/dbraw/zinc/69/36/84/1012693684.db2.gz GIHFJGXGVLXUKA-XMMPIXPASA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247924 1012693686 /nfs/dbraw/zinc/69/36/86/1012693686.db2.gz GIHFJGXGVLXUKA-XMMPIXPASA-N 2 2 406.574 3.570 20 0 HHADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccc(C)n3)CC2)cc1 ZINC000537247924 1012693691 /nfs/dbraw/zinc/69/36/91/1012693691.db2.gz GIHFJGXGVLXUKA-XMMPIXPASA-N 2 2 406.574 3.570 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000537259965 1012709174 /nfs/dbraw/zinc/70/91/74/1012709174.db2.gz VZCKNOYCAUWGEO-NRFANRHFSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000537259965 1012709188 /nfs/dbraw/zinc/70/91/88/1012709188.db2.gz VZCKNOYCAUWGEO-NRFANRHFSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000537259965 1012709206 /nfs/dbraw/zinc/70/92/06/1012709206.db2.gz VZCKNOYCAUWGEO-NRFANRHFSA-N 2 2 413.587 3.628 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000537259965 1012709219 /nfs/dbraw/zinc/70/92/19/1012709219.db2.gz VZCKNOYCAUWGEO-NRFANRHFSA-N 2 2 413.587 3.628 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000541891657 1012757288 /nfs/dbraw/zinc/75/72/88/1012757288.db2.gz LNXYDTOPULSHLZ-HSZRJFAPSA-N 2 2 402.542 3.646 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000541891657 1012757301 /nfs/dbraw/zinc/75/73/01/1012757301.db2.gz LNXYDTOPULSHLZ-HSZRJFAPSA-N 2 2 402.542 3.646 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000552818073 1012828512 /nfs/dbraw/zinc/82/85/12/1012828512.db2.gz YJDBBZVDNNYRFD-PKTZIBPZSA-N 2 2 418.541 3.894 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042798 1012945491 /nfs/dbraw/zinc/94/54/91/1012945491.db2.gz MBBMXUQKPFBEGV-STIDFRRYSA-N 2 2 424.511 3.554 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042798 1012945501 /nfs/dbraw/zinc/94/55/01/1012945501.db2.gz MBBMXUQKPFBEGV-STIDFRRYSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042798 1012945520 /nfs/dbraw/zinc/94/55/20/1012945520.db2.gz MBBMXUQKPFBEGV-STIDFRRYSA-N 2 2 424.511 3.554 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542042798 1012945534 /nfs/dbraw/zinc/94/55/34/1012945534.db2.gz MBBMXUQKPFBEGV-STIDFRRYSA-N 2 2 424.511 3.554 20 0 HHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542109703 1013041770 /nfs/dbraw/zinc/04/17/70/1013041770.db2.gz XAJBQSZVAMYRCW-HXUWFJFHSA-N 2 2 415.607 3.984 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684462 1071802355 /nfs/dbraw/zinc/80/23/55/1071802355.db2.gz QMEQEOAHTDNJOX-UPVQGACJSA-N 2 2 418.541 3.501 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684462 1071802367 /nfs/dbraw/zinc/80/23/67/1071802367.db2.gz QMEQEOAHTDNJOX-UPVQGACJSA-N 2 2 418.541 3.501 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683890 1071805597 /nfs/dbraw/zinc/80/55/97/1071805597.db2.gz FNFMEJJIQBGOKV-LEWJYISDSA-N 2 2 416.949 3.880 20 0 HHADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1OCc1ccc(Cl)cc1 ZINC000729683890 1071805613 /nfs/dbraw/zinc/80/56/13/1071805613.db2.gz FNFMEJJIQBGOKV-LEWJYISDSA-N 2 2 416.949 3.880 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683952 1071805670 /nfs/dbraw/zinc/80/56/70/1071805670.db2.gz HGTNKQUPGKYQQS-ZEQRLZLVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683952 1071805679 /nfs/dbraw/zinc/80/56/79/1071805679.db2.gz HGTNKQUPGKYQQS-ZEQRLZLVSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729684217 1071803988 /nfs/dbraw/zinc/80/39/88/1071803988.db2.gz MASRYYRXUSIAKH-GOTSBHOMSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729684217 1071803994 /nfs/dbraw/zinc/80/39/94/1071803994.db2.gz MASRYYRXUSIAKH-GOTSBHOMSA-N 2 2 402.542 3.801 20 0 HHADLP CC[C@@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001687423677 1071964664 /nfs/dbraw/zinc/96/46/64/1071964664.db2.gz DBMVUXJTSWUANF-RPWUZVMVSA-N 2 2 417.557 3.930 20 0 HHADLP CC[C@@H]1CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001687423677 1071964673 /nfs/dbraw/zinc/96/46/73/1071964673.db2.gz DBMVUXJTSWUANF-RPWUZVMVSA-N 2 2 417.557 3.930 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270974 1072016402 /nfs/dbraw/zinc/01/64/02/1072016402.db2.gz APHWYXXYMWYBEZ-JTHBVZDNSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C1)C2 ZINC001168270974 1072016411 /nfs/dbraw/zinc/01/64/11/1072016411.db2.gz APHWYXXYMWYBEZ-JTHBVZDNSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270974 1072016420 /nfs/dbraw/zinc/01/64/20/1072016420.db2.gz APHWYXXYMWYBEZ-JTHBVZDNSA-N 2 2 413.512 3.791 20 0 HHADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C2 ZINC001168270974 1072016429 /nfs/dbraw/zinc/01/64/29/1072016429.db2.gz APHWYXXYMWYBEZ-JTHBVZDNSA-N 2 2 413.512 3.791 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053920 1072228585 /nfs/dbraw/zinc/22/85/85/1072228585.db2.gz QAJXOGRIMRXDFF-XZOQPEGZSA-N 2 2 409.599 3.509 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127053920 1072228597 /nfs/dbraw/zinc/22/85/97/1072228597.db2.gz QAJXOGRIMRXDFF-XZOQPEGZSA-N 2 2 409.599 3.509 20 0 HHADLP COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297547 1072453481 /nfs/dbraw/zinc/45/34/81/1072453481.db2.gz CAIDSKXTNHJKEZ-IWAAJCSBSA-N 2 2 410.558 3.812 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006049 1072544048 /nfs/dbraw/zinc/54/40/48/1072544048.db2.gz YESLSPGMQYDNGO-ZWKOTPCHSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006049 1072544054 /nfs/dbraw/zinc/54/40/54/1072544054.db2.gz YESLSPGMQYDNGO-ZWKOTPCHSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006049 1072544068 /nfs/dbraw/zinc/54/40/68/1072544068.db2.gz YESLSPGMQYDNGO-ZWKOTPCHSA-N 2 2 403.567 3.654 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3F)C2)s1 ZINC000571006049 1072544077 /nfs/dbraw/zinc/54/40/77/1072544077.db2.gz YESLSPGMQYDNGO-ZWKOTPCHSA-N 2 2 403.567 3.654 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545467 1072666826 /nfs/dbraw/zinc/66/68/26/1072666826.db2.gz IWYOXBVPJAAYMY-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545467 1072666829 /nfs/dbraw/zinc/66/68/29/1072666829.db2.gz IWYOXBVPJAAYMY-PMACEKPBSA-N 2 2 406.546 3.635 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Br ZINC000571607751 1072681164 /nfs/dbraw/zinc/68/11/64/1072681164.db2.gz LTHDJYJQYDHHGC-UHFFFAOYSA-N 2 2 422.333 3.926 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Br ZINC000571607751 1072681166 /nfs/dbraw/zinc/68/11/66/1072681166.db2.gz LTHDJYJQYDHHGC-UHFFFAOYSA-N 2 2 422.333 3.926 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccccc1C(F)(F)F ZINC000479404731 1072796608 /nfs/dbraw/zinc/79/66/08/1072796608.db2.gz DWAIXSWRUDBUEB-INIZCTEOSA-N 2 2 406.433 3.848 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870020 1072858648 /nfs/dbraw/zinc/85/86/48/1072858648.db2.gz QCLIRCKUPFLHRX-RPWUZVMVSA-N 2 2 423.626 3.900 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870020 1072858661 /nfs/dbraw/zinc/85/86/61/1072858661.db2.gz QCLIRCKUPFLHRX-RPWUZVMVSA-N 2 2 423.626 3.900 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870019 1072859077 /nfs/dbraw/zinc/85/90/77/1072859077.db2.gz QCLIRCKUPFLHRX-DNQXCXABSA-N 2 2 423.626 3.900 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870019 1072859090 /nfs/dbraw/zinc/85/90/90/1072859090.db2.gz QCLIRCKUPFLHRX-DNQXCXABSA-N 2 2 423.626 3.900 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[NH+](CC(C)C)C3)c2C1 ZINC000555013068 1073066929 /nfs/dbraw/zinc/06/69/29/1073066929.db2.gz AKMPVHIFIRDHOG-IBGZPJMESA-N 2 2 408.590 3.711 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[NH+](CC(C)C)C3)c2C1 ZINC000555013068 1073066937 /nfs/dbraw/zinc/06/69/37/1073066937.db2.gz AKMPVHIFIRDHOG-IBGZPJMESA-N 2 2 408.590 3.711 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)c2C1 ZINC000555013068 1073066943 /nfs/dbraw/zinc/06/69/43/1073066943.db2.gz AKMPVHIFIRDHOG-IBGZPJMESA-N 2 2 408.590 3.711 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)c2C1 ZINC000555013068 1073066953 /nfs/dbraw/zinc/06/69/53/1073066953.db2.gz AKMPVHIFIRDHOG-IBGZPJMESA-N 2 2 408.590 3.711 20 0 HHADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000588686807 1073136383 /nfs/dbraw/zinc/13/63/83/1073136383.db2.gz CIFZOBKDCHLCON-JOCHJYFZSA-N 2 2 400.526 4.141 20 0 HHADLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000588686807 1073136388 /nfs/dbraw/zinc/13/63/88/1073136388.db2.gz CIFZOBKDCHLCON-JOCHJYFZSA-N 2 2 400.526 4.141 20 0 HHADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000588709532 1073156128 /nfs/dbraw/zinc/15/61/28/1073156128.db2.gz CQLOWXLWYDIHHS-QZTJIDSGSA-N 2 2 400.592 4.208 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501246 1073564961 /nfs/dbraw/zinc/56/49/61/1073564961.db2.gz JDGIXDAHEXLJNM-JUXOCIIHSA-N 2 2 410.537 3.900 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501246 1073564970 /nfs/dbraw/zinc/56/49/70/1073564970.db2.gz JDGIXDAHEXLJNM-JUXOCIIHSA-N 2 2 410.537 3.900 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597679 1073665440 /nfs/dbraw/zinc/66/54/40/1073665440.db2.gz LLXWWGMASXSLQN-LOSJGSFVSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597679 1073665447 /nfs/dbraw/zinc/66/54/47/1073665447.db2.gz LLXWWGMASXSLQN-LOSJGSFVSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597679 1073665454 /nfs/dbraw/zinc/66/54/54/1073665454.db2.gz LLXWWGMASXSLQN-LOSJGSFVSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597679 1073665456 /nfs/dbraw/zinc/66/54/56/1073665456.db2.gz LLXWWGMASXSLQN-LOSJGSFVSA-N 2 2 409.549 3.791 20 0 HHADLP O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000590728196 1073978343 /nfs/dbraw/zinc/97/83/43/1073978343.db2.gz RXXNTVILIMVDOK-UYAOXDASSA-N 2 2 406.452 3.501 20 0 HHADLP O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000590728196 1073978347 /nfs/dbraw/zinc/97/83/47/1073978347.db2.gz RXXNTVILIMVDOK-UYAOXDASSA-N 2 2 406.452 3.501 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1)C(C)C ZINC000600567759 1074011604 /nfs/dbraw/zinc/01/16/04/1074011604.db2.gz MWJDBYJCIUXHJQ-VWLOTQADSA-N 2 2 423.601 3.590 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1)C(C)C ZINC000600567759 1074011611 /nfs/dbraw/zinc/01/16/11/1074011611.db2.gz MWJDBYJCIUXHJQ-VWLOTQADSA-N 2 2 423.601 3.590 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591523625 1074365171 /nfs/dbraw/zinc/36/51/71/1074365171.db2.gz IQMPLKMCDSVUQM-VGOFRKELSA-N 2 2 414.525 3.643 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000591576139 1074420459 /nfs/dbraw/zinc/42/04/59/1074420459.db2.gz HWPQQRGQVYTMEG-UHFFFAOYSA-N 2 2 418.601 3.695 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000591576139 1074420463 /nfs/dbraw/zinc/42/04/63/1074420463.db2.gz HWPQQRGQVYTMEG-UHFFFAOYSA-N 2 2 418.601 3.695 20 0 HHADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000592559215 1074789132 /nfs/dbraw/zinc/78/91/32/1074789132.db2.gz CEDQPCZFGBWLIJ-UHFFFAOYSA-N 2 2 415.969 3.864 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000592818022 1075121903 /nfs/dbraw/zinc/12/19/03/1075121903.db2.gz UEQCCZVJKRWXCE-QGZVFWFLSA-N 2 2 400.592 3.665 20 0 HHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000592818022 1075121904 /nfs/dbraw/zinc/12/19/04/1075121904.db2.gz UEQCCZVJKRWXCE-QGZVFWFLSA-N 2 2 400.592 3.665 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000593292515 1075189990 /nfs/dbraw/zinc/18/99/90/1075189990.db2.gz CTWRYHWPZLZBJR-AUSIDOKSSA-N 2 2 406.555 3.756 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000593292515 1075189991 /nfs/dbraw/zinc/18/99/91/1075189991.db2.gz CTWRYHWPZLZBJR-AUSIDOKSSA-N 2 2 406.555 3.756 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000593502068 1075204989 /nfs/dbraw/zinc/20/49/89/1075204989.db2.gz PKJOLDYMXSOCLK-UHFFFAOYSA-N 2 2 411.481 3.664 20 0 HHADLP Fc1cccc(CC2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)c1 ZINC000575131665 1075470478 /nfs/dbraw/zinc/47/04/78/1075470478.db2.gz PCTNNPAPWWKHKW-DEOSSOPVSA-N 2 2 412.549 3.798 20 0 HHADLP Fc1cccc(CC2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)c1 ZINC000575131665 1075470480 /nfs/dbraw/zinc/47/04/80/1075470480.db2.gz PCTNNPAPWWKHKW-DEOSSOPVSA-N 2 2 412.549 3.798 20 0 HHADLP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000761128491 1075502600 /nfs/dbraw/zinc/50/26/00/1075502600.db2.gz WAHBVIFJCDZMOX-FQEVSTJZSA-N 2 2 400.611 3.629 20 0 HHADLP CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474759 1075619224 /nfs/dbraw/zinc/61/92/24/1075619224.db2.gz RDUVQQZANFHLQB-LJQANCHMSA-N 2 2 413.537 3.645 20 0 HHADLP CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474759 1075619226 /nfs/dbraw/zinc/61/92/26/1075619226.db2.gz RDUVQQZANFHLQB-LJQANCHMSA-N 2 2 413.537 3.645 20 0 HHADLP CN(C(=O)CSc1cc(Cl)ccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475116 1075619323 /nfs/dbraw/zinc/61/93/23/1075619323.db2.gz ULSHJUQSEZJPBR-INIZCTEOSA-N 2 2 416.418 3.712 20 0 HHADLP CN(C(=O)CSc1cc(Cl)ccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475116 1075619324 /nfs/dbraw/zinc/61/93/24/1075619324.db2.gz ULSHJUQSEZJPBR-INIZCTEOSA-N 2 2 416.418 3.712 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC000601477084 1075619675 /nfs/dbraw/zinc/61/96/75/1075619675.db2.gz PTCLHASOHYKZEI-XMMPIXPASA-N 2 2 421.585 3.815 20 0 HHADLP Cc1cccc(COc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2)c1 ZINC000601477084 1075619677 /nfs/dbraw/zinc/61/96/77/1075619677.db2.gz PTCLHASOHYKZEI-XMMPIXPASA-N 2 2 421.585 3.815 20 0 HHADLP CCCCc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477078 1075619770 /nfs/dbraw/zinc/61/97/70/1075619770.db2.gz PSQGXBZJWJXXAO-HSZRJFAPSA-N 2 2 413.606 3.619 20 0 HHADLP CCCCc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477078 1075619772 /nfs/dbraw/zinc/61/97/72/1075619772.db2.gz PSQGXBZJWJXXAO-HSZRJFAPSA-N 2 2 413.606 3.619 20 0 HHADLP CN(C(=O)c1ccccc1CCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476962 1075620009 /nfs/dbraw/zinc/62/00/09/1075620009.db2.gz MIECJUJLGUXARA-DEOSSOPVSA-N 2 2 405.586 3.712 20 0 HHADLP CN(C(=O)c1ccccc1CCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476962 1075620012 /nfs/dbraw/zinc/62/00/12/1075620012.db2.gz MIECJUJLGUXARA-DEOSSOPVSA-N 2 2 405.586 3.712 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476866 1075620052 /nfs/dbraw/zinc/62/00/52/1075620052.db2.gz ATFXZETUKKOCFD-HSZRJFAPSA-N 2 2 421.585 3.815 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476866 1075620061 /nfs/dbraw/zinc/62/00/61/1075620061.db2.gz ATFXZETUKKOCFD-HSZRJFAPSA-N 2 2 421.585 3.815 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479634 1075621594 /nfs/dbraw/zinc/62/15/94/1075621594.db2.gz YTNVKSWYXDRFJM-HSZRJFAPSA-N 2 2 400.611 3.554 20 0 HHADLP CCCCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601479634 1075621596 /nfs/dbraw/zinc/62/15/96/1075621596.db2.gz YTNVKSWYXDRFJM-HSZRJFAPSA-N 2 2 400.611 3.554 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193174 1075710394 /nfs/dbraw/zinc/71/03/94/1075710394.db2.gz BDNLYWYBGFYPOC-IHPCNDPISA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)C2)CC1 ZINC000602193174 1075710399 /nfs/dbraw/zinc/71/03/99/1075710399.db2.gz BDNLYWYBGFYPOC-IHPCNDPISA-N 2 2 424.614 3.631 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000602202313 1075712524 /nfs/dbraw/zinc/71/25/24/1075712524.db2.gz XUDNKCLZFHAFIZ-ZWKOTPCHSA-N 2 2 403.636 3.797 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000602202313 1075712529 /nfs/dbraw/zinc/71/25/29/1075712529.db2.gz XUDNKCLZFHAFIZ-ZWKOTPCHSA-N 2 2 403.636 3.797 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000602202309 1075712582 /nfs/dbraw/zinc/71/25/82/1075712582.db2.gz XUDNKCLZFHAFIZ-MSOLQXFVSA-N 2 2 403.636 3.797 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000602202309 1075712587 /nfs/dbraw/zinc/71/25/87/1075712587.db2.gz XUDNKCLZFHAFIZ-MSOLQXFVSA-N 2 2 403.636 3.797 20 0 HHADLP COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc2C)cc1 ZINC000602203255 1075713151 /nfs/dbraw/zinc/71/31/51/1075713151.db2.gz MLPKYTFERMFKPR-SFHVURJKSA-N 2 2 413.587 3.630 20 0 HHADLP COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc2C)cc1 ZINC000602203255 1075713157 /nfs/dbraw/zinc/71/31/57/1075713157.db2.gz MLPKYTFERMFKPR-SFHVURJKSA-N 2 2 413.587 3.630 20 0 HHADLP Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc(C2CCCCC2)[nH+]1 ZINC001164812785 720232144 /nfs/dbraw/zinc/23/21/44/720232144.db2.gz IGUAQVYVIXMSPZ-UHFFFAOYSA-N 2 2 424.593 3.640 20 0 HHADLP Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc(C2CCCCC2)[nH+]1 ZINC001164812785 720232152 /nfs/dbraw/zinc/23/21/52/720232152.db2.gz IGUAQVYVIXMSPZ-UHFFFAOYSA-N 2 2 424.593 3.640 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164785924 721453807 /nfs/dbraw/zinc/45/38/07/721453807.db2.gz IPZFSZCLGCGMPF-QHCPKHFHSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164785924 721453811 /nfs/dbraw/zinc/45/38/11/721453811.db2.gz IPZFSZCLGCGMPF-QHCPKHFHSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164785923 721453915 /nfs/dbraw/zinc/45/39/15/721453915.db2.gz IPZFSZCLGCGMPF-HSZRJFAPSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164785923 721453918 /nfs/dbraw/zinc/45/39/18/721453918.db2.gz IPZFSZCLGCGMPF-HSZRJFAPSA-N 2 2 409.574 3.969 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1N1CCCC1 ZINC001164793361 721489261 /nfs/dbraw/zinc/48/92/61/721489261.db2.gz QTSGNKXUPPZQQV-UHFFFAOYSA-N 2 2 406.578 3.661 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1N1CCCC1 ZINC001164793361 721489262 /nfs/dbraw/zinc/48/92/62/721489262.db2.gz QTSGNKXUPPZQQV-UHFFFAOYSA-N 2 2 406.578 3.661 20 0 HHADLP CCCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908130 721714537 /nfs/dbraw/zinc/71/45/37/721714537.db2.gz VWMUCRGGVJJKKK-OAQYLSRUSA-N 2 2 401.505 3.870 20 0 HHADLP CCCc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908130 721714539 /nfs/dbraw/zinc/71/45/39/721714539.db2.gz VWMUCRGGVJJKKK-OAQYLSRUSA-N 2 2 401.505 3.870 20 0 HHADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001165008561 721715467 /nfs/dbraw/zinc/71/54/67/721715467.db2.gz HFDOWDNMPXVINJ-UHFFFAOYSA-N 2 2 419.577 3.677 20 0 HHADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH+]c(N3CCCC3)cc3ccccc31)C2 ZINC001165008561 721715470 /nfs/dbraw/zinc/71/54/70/721715470.db2.gz HFDOWDNMPXVINJ-UHFFFAOYSA-N 2 2 419.577 3.677 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029629 721811106 /nfs/dbraw/zinc/81/11/06/721811106.db2.gz ZWJRZTWQBKSXCV-CEWLAPEOSA-N 2 2 408.546 3.617 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165029629 721811108 /nfs/dbraw/zinc/81/11/08/721811108.db2.gz ZWJRZTWQBKSXCV-CEWLAPEOSA-N 2 2 408.546 3.617 20 0 HHADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918154 721821042 /nfs/dbraw/zinc/82/10/42/721821042.db2.gz CAWJVXOKSNIBQS-JOCHJYFZSA-N 2 2 422.621 3.965 20 0 HHADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918154 721821044 /nfs/dbraw/zinc/82/10/44/721821044.db2.gz CAWJVXOKSNIBQS-JOCHJYFZSA-N 2 2 422.621 3.965 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc[nH+]2)C1 ZINC001165026330 721827743 /nfs/dbraw/zinc/82/77/43/721827743.db2.gz OVLIMHOKNMGNKK-DWQJTFDBSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc[nH+]2)C1 ZINC001165026330 721827747 /nfs/dbraw/zinc/82/77/47/721827747.db2.gz OVLIMHOKNMGNKK-DWQJTFDBSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cn2)C1 ZINC001165026330 721827748 /nfs/dbraw/zinc/82/77/48/721827748.db2.gz OVLIMHOKNMGNKK-DWQJTFDBSA-N 2 2 420.605 3.845 20 0 HHADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]cn2)C1 ZINC001165026330 721827753 /nfs/dbraw/zinc/82/77/53/721827753.db2.gz OVLIMHOKNMGNKK-DWQJTFDBSA-N 2 2 420.605 3.845 20 0 HHADLP C[NH+]1CCN(c2cccc(N3CCC(Oc4ccc(F)cc4Cl)CC3)[nH+]2)CC1 ZINC001165033533 721879846 /nfs/dbraw/zinc/87/98/46/721879846.db2.gz RIUNDLIYPHXLCU-UHFFFAOYSA-N 2 2 404.917 3.674 20 0 HHADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC3)C2)ccn1 ZINC001164966481 722062041 /nfs/dbraw/zinc/06/20/41/722062041.db2.gz UWQDWZKHBRXPBG-UHFFFAOYSA-N 2 2 417.557 3.566 20 0 HHADLP c1cc(C[N@H+]2CCOCC3(CCN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC3)C2)ccn1 ZINC001164966481 722062043 /nfs/dbraw/zinc/06/20/43/722062043.db2.gz UWQDWZKHBRXPBG-UHFFFAOYSA-N 2 2 417.557 3.566 20 0 HHADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981026 722136393 /nfs/dbraw/zinc/13/63/93/722136393.db2.gz OIEWMOQJVSZKGV-VWNXMTODSA-N 2 2 421.589 3.955 20 0 HHADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001164981026 722136397 /nfs/dbraw/zinc/13/63/97/722136397.db2.gz OIEWMOQJVSZKGV-VWNXMTODSA-N 2 2 421.589 3.955 20 0 HHADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)[nH+]2)CC1 ZINC001164977355 722170978 /nfs/dbraw/zinc/17/09/78/722170978.db2.gz MNJFGXUYQJBLGT-OTNCWRBYSA-N 2 2 404.558 3.535 20 0 HHADLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4c(Br)cccc34)cn2)CC1 ZINC000301186948 970794830 /nfs/dbraw/zinc/79/48/30/970794830.db2.gz PTKBCPUWYOBRCT-UHFFFAOYSA-N 2 2 412.335 3.756 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000301245434 970829379 /nfs/dbraw/zinc/82/93/79/970829379.db2.gz PVAYKCHGFGAEIO-FQEVSTJZSA-N 2 2 409.578 3.673 20 0 HHADLP OC[C@H]1CCCN(c2cc(NCc3ccccc3C[NH+]3CCCCCC3)[nH+]cn2)C1 ZINC000301245434 970829393 /nfs/dbraw/zinc/82/93/93/970829393.db2.gz PVAYKCHGFGAEIO-FQEVSTJZSA-N 2 2 409.578 3.673 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262101 970840336 /nfs/dbraw/zinc/84/03/36/970840336.db2.gz SOZSHEMXOLABHY-UGKGYDQZSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262101 970840344 /nfs/dbraw/zinc/84/03/44/970840344.db2.gz SOZSHEMXOLABHY-UGKGYDQZSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262101 970840349 /nfs/dbraw/zinc/84/03/49/970840349.db2.gz SOZSHEMXOLABHY-UGKGYDQZSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262101 970840358 /nfs/dbraw/zinc/84/03/58/970840358.db2.gz SOZSHEMXOLABHY-UGKGYDQZSA-N 2 2 409.578 3.529 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)CC1 ZINC000301308474 970859645 /nfs/dbraw/zinc/85/96/45/970859645.db2.gz CUZWONSIOIZVQX-UHFFFAOYSA-N 2 2 420.483 3.528 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000542138453 1013072056 /nfs/dbraw/zinc/07/20/56/1013072056.db2.gz GIFXUEJKGVXHAM-QGZVFWFLSA-N 2 2 417.513 3.728 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000302902624 971382759 /nfs/dbraw/zinc/38/27/59/971382759.db2.gz TVPIYOOOVIEILT-QFIPXVFZSA-N 2 2 410.562 3.642 20 0 HHADLP Clc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000302968737 971425828 /nfs/dbraw/zinc/42/58/28/971425828.db2.gz ASHBORSYLOJJHL-HXUWFJFHSA-N 2 2 414.981 3.648 20 0 HHADLP Clc1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000302968737 971425834 /nfs/dbraw/zinc/42/58/34/971425834.db2.gz ASHBORSYLOJJHL-HXUWFJFHSA-N 2 2 414.981 3.648 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303160640 971535173 /nfs/dbraw/zinc/53/51/73/971535173.db2.gz HBBJXMYKBSWZPD-FQEVSTJZSA-N 2 2 409.578 3.624 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000303188730 971550589 /nfs/dbraw/zinc/55/05/89/971550589.db2.gz LTXYDKIASKPCPC-UHFFFAOYSA-N 2 2 420.557 3.685 20 0 HHADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+]1CCCCCC1 ZINC000553153799 1013112869 /nfs/dbraw/zinc/11/28/69/1013112869.db2.gz KAAIWCUONCUTRJ-MRXNPFEDSA-N 2 2 423.355 3.532 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542179536 1013118748 /nfs/dbraw/zinc/11/87/48/1013118748.db2.gz NJJOPMKYVRJERQ-FSSWDIPSSA-N 2 2 419.585 3.779 20 0 HHADLP CC[C@H](Oc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542179536 1013118755 /nfs/dbraw/zinc/11/87/55/1013118755.db2.gz NJJOPMKYVRJERQ-FSSWDIPSSA-N 2 2 419.585 3.779 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180404 1013119116 /nfs/dbraw/zinc/11/91/16/1013119116.db2.gz UGUCBKILLQAMOX-VABKMULXSA-N 2 2 407.643 3.910 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180404 1013119126 /nfs/dbraw/zinc/11/91/26/1013119126.db2.gz UGUCBKILLQAMOX-VABKMULXSA-N 2 2 407.643 3.910 20 0 HHADLP CC[N@H+](Cc1cnc2n[nH]c(C)c2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537626724 1013176421 /nfs/dbraw/zinc/17/64/21/1013176421.db2.gz DEAMIMCEVJXBIF-UHFFFAOYSA-N 2 2 407.566 3.979 20 0 HHADLP CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537626724 1013176425 /nfs/dbraw/zinc/17/64/25/1013176425.db2.gz DEAMIMCEVJXBIF-UHFFFAOYSA-N 2 2 407.566 3.979 20 0 HHADLP CCC(CC)[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000303844017 972381870 /nfs/dbraw/zinc/38/18/70/972381870.db2.gz QSJMHQLPCFDEFS-KGVIQGDOSA-N 2 2 404.599 3.784 20 0 HHADLP CCC(CC)[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000303844017 972381879 /nfs/dbraw/zinc/38/18/79/972381879.db2.gz QSJMHQLPCFDEFS-KGVIQGDOSA-N 2 2 404.599 3.784 20 0 HHADLP CN1C(=O)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542307563 1013264596 /nfs/dbraw/zinc/26/45/96/1013264596.db2.gz UBCSRKXKDARLOJ-HKUYNNGSSA-N 2 2 404.898 3.788 20 0 HHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000537777495 1013340163 /nfs/dbraw/zinc/34/01/63/1013340163.db2.gz URNHEAUQACQMKJ-RKOGDMNLSA-N 2 2 405.995 3.680 20 0 HHADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccc(C(C)(C)C)cc1 ZINC000015300390 962712645 /nfs/dbraw/zinc/71/26/45/962712645.db2.gz OZRFZZRSMHFMCS-UHFFFAOYSA-N 2 2 423.601 3.565 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccc(C(C)(C)C)cc1 ZINC000015300390 962712662 /nfs/dbraw/zinc/71/26/62/962712662.db2.gz OZRFZZRSMHFMCS-UHFFFAOYSA-N 2 2 423.601 3.565 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000542465588 1013413620 /nfs/dbraw/zinc/41/36/20/1013413620.db2.gz SEXFVDHNRKDQOA-UHFFFAOYSA-N 2 2 410.591 3.648 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000542485234 1013433220 /nfs/dbraw/zinc/43/32/20/1013433220.db2.gz LCVVLZOCNUOSIZ-IBGZPJMESA-N 2 2 401.308 3.552 20 0 HHADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2OC)CC1 ZINC000022778746 963714536 /nfs/dbraw/zinc/71/45/36/963714536.db2.gz ZUCRUNBASOEFBH-UHFFFAOYSA-N 2 2 406.162 3.794 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000051241136 964504129 /nfs/dbraw/zinc/50/41/29/964504129.db2.gz MUJQAXIDDAQRSU-HNNXBMFYSA-N 2 2 412.500 3.624 20 0 HHADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051243518 964505057 /nfs/dbraw/zinc/50/50/57/964505057.db2.gz STEIVXMPCKPKHY-OAQYLSRUSA-N 2 2 407.002 3.895 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303085 964519072 /nfs/dbraw/zinc/51/90/72/964519072.db2.gz CAMOIFSAGOXLTM-UHFFFAOYSA-N 2 2 407.562 3.667 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)c1 ZINC000026309249 964520407 /nfs/dbraw/zinc/52/04/07/964520407.db2.gz HTMKXMIIGZTWOV-UHFFFAOYSA-N 2 2 403.486 3.543 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)cc[nH+]1 ZINC000542569011 1013509598 /nfs/dbraw/zinc/50/95/98/1013509598.db2.gz LGXKBRZOLJMBNU-HSZRJFAPSA-N 2 2 415.541 3.964 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(c4ccccc4)CCCCC3)CC2)CC1 ZINC000051760356 964689068 /nfs/dbraw/zinc/68/90/68/964689068.db2.gz XSPFOQOHBZUKFJ-UHFFFAOYSA-N 2 2 412.622 3.746 20 0 HHADLP C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759348 964689215 /nfs/dbraw/zinc/68/92/15/964689215.db2.gz NCZXEXUSBCJPPO-INIZCTEOSA-N 2 2 415.607 3.557 20 0 HHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000537952945 1013533562 /nfs/dbraw/zinc/53/35/62/1013533562.db2.gz ZESMYVHEVSWGLF-CVDCTZTESA-N 2 2 424.589 3.815 20 0 HHADLP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1nc2ccccc2s1 ZINC000052714054 964961264 /nfs/dbraw/zinc/96/12/64/964961264.db2.gz SXGWSHSZIJARQE-UHFFFAOYSA-N 2 2 400.592 3.847 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000542618618 1013554209 /nfs/dbraw/zinc/55/42/09/1013554209.db2.gz LVSQITUZFVCUCX-KGVIQGDOSA-N 2 2 407.562 3.875 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000542618618 1013554214 /nfs/dbraw/zinc/55/42/14/1013554214.db2.gz LVSQITUZFVCUCX-KGVIQGDOSA-N 2 2 407.562 3.875 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000537982470 1013558104 /nfs/dbraw/zinc/55/81/04/1013558104.db2.gz ABSZDGDAZGQLQL-LJQANCHMSA-N 2 2 411.468 3.687 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000057783179 965545238 /nfs/dbraw/zinc/54/52/38/965545238.db2.gz UOAJBXYRSGBQMG-UHFFFAOYSA-N 2 2 421.589 3.913 20 0 HHADLP O[C@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000030903692 965828201 /nfs/dbraw/zinc/82/82/01/965828201.db2.gz UWPGAMYGQSONFJ-HXUWFJFHSA-N 2 2 412.480 3.950 20 0 HHADLP O[C@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000030903692 965828204 /nfs/dbraw/zinc/82/82/04/965828204.db2.gz UWPGAMYGQSONFJ-HXUWFJFHSA-N 2 2 412.480 3.950 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058783917 965897367 /nfs/dbraw/zinc/89/73/67/965897367.db2.gz CKUAVVFRTUWPHQ-HSZRJFAPSA-N 2 2 411.615 3.935 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058788684 965900216 /nfs/dbraw/zinc/90/02/16/965900216.db2.gz QJTGOVIYOYTCNH-HSZRJFAPSA-N 2 2 409.599 3.689 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058808854 965913378 /nfs/dbraw/zinc/91/33/78/965913378.db2.gz FJXVONSJLNMAMD-QHCPKHFHSA-N 2 2 411.615 3.933 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058808854 965913386 /nfs/dbraw/zinc/91/33/86/965913386.db2.gz FJXVONSJLNMAMD-QHCPKHFHSA-N 2 2 411.615 3.933 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000538044323 1013617092 /nfs/dbraw/zinc/61/70/92/1013617092.db2.gz DGYIMQWPZAMARX-IRXDYDNUSA-N 2 2 411.384 3.539 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000055752539 966048955 /nfs/dbraw/zinc/04/89/55/966048955.db2.gz NLBONMVHJQQQHE-QHCPKHFHSA-N 2 2 418.541 3.897 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061022298 966353360 /nfs/dbraw/zinc/35/33/60/966353360.db2.gz LGGZPABCPHZUJB-UHFFFAOYSA-N 2 2 423.586 3.704 20 0 HHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000056495154 966358271 /nfs/dbraw/zinc/35/82/71/966358271.db2.gz ALSUYMVYGHVPEN-UHFFFAOYSA-N 2 2 410.488 3.625 20 0 HHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000056495154 966358278 /nfs/dbraw/zinc/35/82/78/966358278.db2.gz ALSUYMVYGHVPEN-UHFFFAOYSA-N 2 2 410.488 3.625 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061868107 966568544 /nfs/dbraw/zinc/56/85/44/966568544.db2.gz LCFBETJVYHHQBV-HXUWFJFHSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000061868107 966568549 /nfs/dbraw/zinc/56/85/49/966568549.db2.gz LCFBETJVYHHQBV-HXUWFJFHSA-N 2 2 421.589 3.924 20 0 HHADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C ZINC000553877331 1013671475 /nfs/dbraw/zinc/67/14/75/1013671475.db2.gz TYBDCZLNDXXKTD-VWLOTQADSA-N 2 2 406.574 3.617 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+]2CCCC2)cc1 ZINC000064237406 967100613 /nfs/dbraw/zinc/10/06/13/967100613.db2.gz XLJOUFYWROTHRE-QFIPXVFZSA-N 2 2 407.562 3.627 20 0 HHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000542848607 1013707261 /nfs/dbraw/zinc/70/72/61/1013707261.db2.gz UFNCTCKZKMDPTO-NRFANRHFSA-N 2 2 400.494 3.540 20 0 HHADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C ZINC000065304460 967433375 /nfs/dbraw/zinc/43/33/75/967433375.db2.gz HTKCVSVWMMFBGI-UHFFFAOYSA-N 2 2 418.541 3.888 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000065412310 967455607 /nfs/dbraw/zinc/45/56/07/967455607.db2.gz XHFQICDEVCQWEB-SLFFLAALSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000065412310 967455615 /nfs/dbraw/zinc/45/56/15/967455615.db2.gz XHFQICDEVCQWEB-SLFFLAALSA-N 2 2 402.583 3.538 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045606151 967513067 /nfs/dbraw/zinc/51/30/67/967513067.db2.gz SCPVJUDYXIDAAK-UHFFFAOYSA-N 2 2 417.557 3.917 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000045790277 967553642 /nfs/dbraw/zinc/55/36/42/967553642.db2.gz TVECBPQSFOQUBR-UHFFFAOYSA-N 2 2 400.592 3.616 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000045790277 967553643 /nfs/dbraw/zinc/55/36/43/967553643.db2.gz TVECBPQSFOQUBR-UHFFFAOYSA-N 2 2 400.592 3.616 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000542884660 1013732550 /nfs/dbraw/zinc/73/25/50/1013732550.db2.gz BFUQOIZEGMLKSO-DJJJIMSYSA-N 2 2 413.319 3.820 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260883 1013802261 /nfs/dbraw/zinc/80/22/61/1013802261.db2.gz KICAUWYLMVYTAD-RPBOFIJWSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccc(F)cc2)n1 ZINC000538260883 1013802271 /nfs/dbraw/zinc/80/22/71/1013802271.db2.gz KICAUWYLMVYTAD-RPBOFIJWSA-N 2 2 421.564 3.617 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321839 1013848727 /nfs/dbraw/zinc/84/87/27/1013848727.db2.gz CJUYJBQBXJSSBQ-DHIUTWEWSA-N 2 2 415.626 3.862 20 0 HHADLP Cc1c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321839 1013848737 /nfs/dbraw/zinc/84/87/37/1013848737.db2.gz CJUYJBQBXJSSBQ-DHIUTWEWSA-N 2 2 415.626 3.862 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000107937838 969346542 /nfs/dbraw/zinc/34/65/42/969346542.db2.gz RFQPVDCMYOHEJL-UHFFFAOYSA-N 2 2 413.610 3.870 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109399733 969511855 /nfs/dbraw/zinc/51/18/55/969511855.db2.gz DSHQZRXNKBNACB-HXUWFJFHSA-N 2 2 422.504 3.952 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109399733 969511859 /nfs/dbraw/zinc/51/18/59/969511859.db2.gz DSHQZRXNKBNACB-HXUWFJFHSA-N 2 2 422.504 3.952 20 0 HHADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000111071368 969771673 /nfs/dbraw/zinc/77/16/73/969771673.db2.gz ANIXOTMOHJJCSL-RUZDIDTESA-N 2 2 422.617 3.523 20 0 HHADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000554364143 1013922342 /nfs/dbraw/zinc/92/23/42/1013922342.db2.gz RVMBLFQMDRCKSD-FUHWJXTLSA-N 2 2 405.892 3.552 20 0 HHADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000554364145 1013922504 /nfs/dbraw/zinc/92/25/04/1013922504.db2.gz RVMBLFQMDRCKSD-WMZOPIPTSA-N 2 2 405.892 3.552 20 0 HHADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccccc4nc3N3CCOCC3)CC2)cc1 ZINC000139250917 970026192 /nfs/dbraw/zinc/02/61/92/970026192.db2.gz OZOKHBSEUVXQKM-UHFFFAOYSA-N 2 2 416.569 3.826 20 0 HHADLP Brc1ccc2c(c1)C=C(C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CO2 ZINC000236631304 970148992 /nfs/dbraw/zinc/14/89/92/970148992.db2.gz KLBLOPMJTNZJCR-UHFFFAOYSA-N 2 2 400.320 3.879 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000237102147 970223040 /nfs/dbraw/zinc/22/30/40/970223040.db2.gz RQDKRGHTVKRMRC-UHFFFAOYSA-N 2 2 409.965 3.626 20 0 HHADLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000237486879 970296622 /nfs/dbraw/zinc/29/66/22/970296622.db2.gz VZKFARCZPCNALV-IBGZPJMESA-N 2 2 412.965 3.933 20 0 HHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000237571411 970314759 /nfs/dbraw/zinc/31/47/59/970314759.db2.gz XNPMRWUSXNMYAE-NHCUHLMSSA-N 2 2 419.573 3.582 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000237571120 970315027 /nfs/dbraw/zinc/31/50/27/970315027.db2.gz MVTXLKXSUROHKR-CQSZACIVSA-N 2 2 402.340 3.874 20 0 HHADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000261464429 970702206 /nfs/dbraw/zinc/70/22/06/970702206.db2.gz RNBJSGVZBVVGRS-JOCHJYFZSA-N 2 2 401.595 3.642 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000303970500 972558208 /nfs/dbraw/zinc/55/82/08/972558208.db2.gz SHXNUNAVZLSZTC-IRXDYDNUSA-N 2 2 407.961 3.649 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660673 972827591 /nfs/dbraw/zinc/82/75/91/972827591.db2.gz LRFUZPMCOUNQOD-FCHUYYIVSA-N 2 2 417.594 3.657 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660673 972827602 /nfs/dbraw/zinc/82/76/02/972827602.db2.gz LRFUZPMCOUNQOD-FCHUYYIVSA-N 2 2 417.594 3.657 20 0 HHADLP Fc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390889650 972832615 /nfs/dbraw/zinc/83/26/15/972832615.db2.gz YUSFXEXFKSOQLR-GOSISDBHSA-N 2 2 407.327 3.969 20 0 HHADLP Fc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390889650 972832625 /nfs/dbraw/zinc/83/26/25/972832625.db2.gz YUSFXEXFKSOQLR-GOSISDBHSA-N 2 2 407.327 3.969 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977419 972873317 /nfs/dbraw/zinc/87/33/17/972873317.db2.gz LDQIPWPDIYNGEP-OXJNMPFZSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977419 972873329 /nfs/dbraw/zinc/87/33/29/972873329.db2.gz LDQIPWPDIYNGEP-OXJNMPFZSA-N 2 2 416.363 3.888 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409495876 972947252 /nfs/dbraw/zinc/94/72/52/972947252.db2.gz ZIIQHOSCPZYOGK-UHFFFAOYSA-N 2 2 409.509 3.851 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409495876 972947261 /nfs/dbraw/zinc/94/72/61/972947261.db2.gz ZIIQHOSCPZYOGK-UHFFFAOYSA-N 2 2 409.509 3.851 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000554841176 1014070400 /nfs/dbraw/zinc/07/04/00/1014070400.db2.gz VEPYKSISQDDQFF-MOPGFXCFSA-N 2 2 411.512 3.678 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000554841176 1014070403 /nfs/dbraw/zinc/07/04/03/1014070403.db2.gz VEPYKSISQDDQFF-MOPGFXCFSA-N 2 2 411.512 3.678 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752462 973229191 /nfs/dbraw/zinc/22/91/91/973229191.db2.gz IRRRYAKGHYDIDK-KJXAQDMKSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409752462 973229203 /nfs/dbraw/zinc/22/92/03/973229203.db2.gz IRRRYAKGHYDIDK-KJXAQDMKSA-N 2 2 421.589 3.629 20 0 HHADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409757425 973233236 /nfs/dbraw/zinc/23/32/36/973233236.db2.gz HLUQUGBCTMCEEP-FQEVSTJZSA-N 2 2 413.610 3.763 20 0 HHADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000410195246 973690256 /nfs/dbraw/zinc/69/02/56/973690256.db2.gz XOPMEXOFLADGIG-NRFANRHFSA-N 2 2 404.574 3.772 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000410317689 973863058 /nfs/dbraw/zinc/86/30/58/973863058.db2.gz NAEWPMPCCIKMPK-UHFFFAOYSA-N 2 2 421.589 3.844 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000410347154 973935826 /nfs/dbraw/zinc/93/58/26/973935826.db2.gz NEKFLKPPURNHCP-LJQANCHMSA-N 2 2 409.578 3.636 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000410347154 973935834 /nfs/dbraw/zinc/93/58/34/973935834.db2.gz NEKFLKPPURNHCP-LJQANCHMSA-N 2 2 409.578 3.636 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000410363378 973956168 /nfs/dbraw/zinc/95/61/68/973956168.db2.gz FSECLROJNFYFBX-IBGZPJMESA-N 2 2 409.578 3.636 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000410363378 973956176 /nfs/dbraw/zinc/95/61/76/973956176.db2.gz FSECLROJNFYFBX-IBGZPJMESA-N 2 2 409.578 3.636 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000425979230 974089707 /nfs/dbraw/zinc/08/97/07/974089707.db2.gz KADRZCPXZDAISC-XWGVYQGASA-N 2 2 417.557 3.584 20 0 HHADLP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000426150595 974267560 /nfs/dbraw/zinc/26/75/60/974267560.db2.gz ABYRIIXYRZHPBK-JOCHJYFZSA-N 2 2 410.518 3.632 20 0 HHADLP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000426769903 974646131 /nfs/dbraw/zinc/64/61/31/974646131.db2.gz MVUSBGBDKNQCLP-OALUTQOASA-N 2 2 401.595 3.834 20 0 HHADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426775273 974650936 /nfs/dbraw/zinc/65/09/36/974650936.db2.gz ADZNQYZXVCFUEH-AQNXPRMDSA-N 2 2 412.578 3.933 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1OC ZINC000427850335 975321055 /nfs/dbraw/zinc/32/10/55/975321055.db2.gz AOJKIMOJGFMUKB-PBHICJAKSA-N 2 2 412.559 3.922 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428266106 975580066 /nfs/dbraw/zinc/58/00/66/975580066.db2.gz QRNRVHQCSYKUBR-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428266106 975580071 /nfs/dbraw/zinc/58/00/71/975580071.db2.gz QRNRVHQCSYKUBR-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428375992 975698750 /nfs/dbraw/zinc/69/87/50/975698750.db2.gz RSHAGEOVOAJZEQ-QGZVFWFLSA-N 2 2 416.591 3.582 20 0 HHADLP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428375992 975698758 /nfs/dbraw/zinc/69/87/58/975698758.db2.gz RSHAGEOVOAJZEQ-QGZVFWFLSA-N 2 2 416.591 3.582 20 0 HHADLP CCOc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436295 975750246 /nfs/dbraw/zinc/75/02/46/975750246.db2.gz FSGDSQMSFUCRHL-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436295 975750253 /nfs/dbraw/zinc/75/02/53/975750253.db2.gz FSGDSQMSFUCRHL-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436295 975750260 /nfs/dbraw/zinc/75/02/60/975750260.db2.gz FSGDSQMSFUCRHL-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000428436295 975750266 /nfs/dbraw/zinc/75/02/66/975750266.db2.gz FSGDSQMSFUCRHL-QHCPKHFHSA-N 2 2 418.965 3.816 20 0 HHADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539875 975840551 /nfs/dbraw/zinc/84/05/51/975840551.db2.gz QQSZPNFZJBBYFF-REWPJTCUSA-N 2 2 422.573 3.699 20 0 HHADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428539875 975840564 /nfs/dbraw/zinc/84/05/64/975840564.db2.gz QQSZPNFZJBBYFF-REWPJTCUSA-N 2 2 422.573 3.699 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428635810 975938121 /nfs/dbraw/zinc/93/81/21/975938121.db2.gz HOSZXMOAFQRHTK-GBXCKJPGSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428635810 975938125 /nfs/dbraw/zinc/93/81/25/975938125.db2.gz HOSZXMOAFQRHTK-GBXCKJPGSA-N 2 2 417.557 3.784 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000428649735 975951419 /nfs/dbraw/zinc/95/14/19/975951419.db2.gz LZOOJJYRNWILMT-OAQYLSRUSA-N 2 2 416.569 3.971 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000428649735 975951425 /nfs/dbraw/zinc/95/14/25/975951425.db2.gz LZOOJJYRNWILMT-OAQYLSRUSA-N 2 2 416.569 3.971 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000428764503 976036059 /nfs/dbraw/zinc/03/60/59/976036059.db2.gz GOPXXHMQLJUUCV-LJQANCHMSA-N 2 2 409.578 3.935 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000428764503 976036074 /nfs/dbraw/zinc/03/60/74/976036074.db2.gz GOPXXHMQLJUUCV-LJQANCHMSA-N 2 2 409.578 3.935 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000428980308 976264699 /nfs/dbraw/zinc/26/46/99/976264699.db2.gz VIOFHSQPKGOJFS-GOSISDBHSA-N 2 2 423.483 3.683 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429042186 976327350 /nfs/dbraw/zinc/32/73/50/976327350.db2.gz DFQXCIIPUFNRDE-NHCUHLMSSA-N 2 2 422.976 3.788 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429042186 976327362 /nfs/dbraw/zinc/32/73/62/976327362.db2.gz DFQXCIIPUFNRDE-NHCUHLMSSA-N 2 2 422.976 3.788 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000429258908 976546304 /nfs/dbraw/zinc/54/63/04/976546304.db2.gz WQTZPBGRBIDXQO-UHFFFAOYSA-N 2 2 407.356 3.867 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000429258908 976546314 /nfs/dbraw/zinc/54/63/14/976546314.db2.gz WQTZPBGRBIDXQO-UHFFFAOYSA-N 2 2 407.356 3.867 20 0 HHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432778 976712250 /nfs/dbraw/zinc/71/22/50/976712250.db2.gz VJESPLGMTPMLHH-JWQCQUIFSA-N 2 2 419.573 3.599 20 0 HHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429432778 976712256 /nfs/dbraw/zinc/71/22/56/976712256.db2.gz VJESPLGMTPMLHH-JWQCQUIFSA-N 2 2 419.573 3.599 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439663 976718326 /nfs/dbraw/zinc/71/83/26/976718326.db2.gz FMYDQOSZZHNNNW-SQJMNOBHSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000429439663 976718336 /nfs/dbraw/zinc/71/83/36/976718336.db2.gz FMYDQOSZZHNNNW-SQJMNOBHSA-N 3 2 411.590 3.569 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000429483409 976743736 /nfs/dbraw/zinc/74/37/36/976743736.db2.gz LLLGSEDCNHPEKR-OAQYLSRUSA-N 2 2 409.578 3.772 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000429483409 976743744 /nfs/dbraw/zinc/74/37/44/976743744.db2.gz LLLGSEDCNHPEKR-OAQYLSRUSA-N 2 2 409.578 3.772 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000429775425 977060826 /nfs/dbraw/zinc/06/08/26/977060826.db2.gz OZPXYABJOUDEQN-QZTJIDSGSA-N 2 2 423.483 3.599 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807567 977081863 /nfs/dbraw/zinc/08/18/63/977081863.db2.gz NYMFVXNIWFZXBN-SQJMNOBHSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807567 977081873 /nfs/dbraw/zinc/08/18/73/977081873.db2.gz NYMFVXNIWFZXBN-SQJMNOBHSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807567 977081883 /nfs/dbraw/zinc/08/18/83/977081883.db2.gz NYMFVXNIWFZXBN-SQJMNOBHSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807567 977081895 /nfs/dbraw/zinc/08/18/95/977081895.db2.gz NYMFVXNIWFZXBN-SQJMNOBHSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814236 977087628 /nfs/dbraw/zinc/08/76/28/977087628.db2.gz KYBFEAJEKSCROW-ZPZUNKDASA-N 2 2 405.586 3.823 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814236 977087640 /nfs/dbraw/zinc/08/76/40/977087640.db2.gz KYBFEAJEKSCROW-ZPZUNKDASA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814236 977087651 /nfs/dbraw/zinc/08/76/51/977087651.db2.gz KYBFEAJEKSCROW-ZPZUNKDASA-N 2 2 405.586 3.823 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[C@H](C)C1 ZINC000429814236 977087660 /nfs/dbraw/zinc/08/76/60/977087660.db2.gz KYBFEAJEKSCROW-ZPZUNKDASA-N 2 2 405.586 3.823 20 0 HHADLP Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000430817173 977774356 /nfs/dbraw/zinc/77/43/56/977774356.db2.gz QMVSEBKXBIIMHA-NOZRDPDXSA-N 2 2 405.542 3.996 20 0 HHADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430910882 977878169 /nfs/dbraw/zinc/87/81/69/977878169.db2.gz YWKPNUGQJSDEAR-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430910882 977878179 /nfs/dbraw/zinc/87/81/79/977878179.db2.gz YWKPNUGQJSDEAR-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933975 977898082 /nfs/dbraw/zinc/89/80/82/977898082.db2.gz KKBLEBPPQFGQJN-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933975 977898089 /nfs/dbraw/zinc/89/80/89/977898089.db2.gz KKBLEBPPQFGQJN-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430967968 977918645 /nfs/dbraw/zinc/91/86/45/977918645.db2.gz WJFMECLEMWQQJK-OAQYLSRUSA-N 2 2 415.969 3.765 20 0 HHADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430967968 977918648 /nfs/dbraw/zinc/91/86/48/977918648.db2.gz WJFMECLEMWQQJK-OAQYLSRUSA-N 2 2 415.969 3.765 20 0 HHADLP CCN(C(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000431393196 978267529 /nfs/dbraw/zinc/26/75/29/978267529.db2.gz SBDJVPUVWILKHU-NRFANRHFSA-N 3 2 420.686 3.684 20 0 HHADLP CCN(C(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000431393196 978267539 /nfs/dbraw/zinc/26/75/39/978267539.db2.gz SBDJVPUVWILKHU-NRFANRHFSA-N 3 2 420.686 3.684 20 0 HHADLP c1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCSCC5)[nH+]cn4)C3)CC2)cc1 ZINC000431477519 978322334 /nfs/dbraw/zinc/32/23/34/978322334.db2.gz LYCHXOIQHMURKX-UHFFFAOYSA-N 2 2 409.603 3.522 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000431672697 978426280 /nfs/dbraw/zinc/42/62/80/978426280.db2.gz HUKHEHNDDKFBBA-WIYYLYMNSA-N 2 2 410.562 3.902 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000431672697 978426283 /nfs/dbraw/zinc/42/62/83/978426283.db2.gz HUKHEHNDDKFBBA-WIYYLYMNSA-N 2 2 410.562 3.902 20 0 HHADLP C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000431694191 978440746 /nfs/dbraw/zinc/44/07/46/978440746.db2.gz UDMWHFGXZXWZNS-AVRDEDQJSA-N 2 2 416.585 3.699 20 0 HHADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000432752117 978959062 /nfs/dbraw/zinc/95/90/62/978959062.db2.gz IQCCHMVVZQMPGX-UHFFFAOYSA-N 2 2 406.423 3.971 20 0 HHADLP COC1CC[NH+](Cc2ccc(Br)cc2C[NH+]2CCC(OC)CC2)CC1 ZINC000432938441 979016559 /nfs/dbraw/zinc/01/65/59/979016559.db2.gz LABSXRJBORYSJC-UHFFFAOYSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000432962709 979025956 /nfs/dbraw/zinc/02/59/56/979025956.db2.gz SFXPZVOZNYIJSI-PMACEKPBSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000432962709 979025959 /nfs/dbraw/zinc/02/59/59/979025959.db2.gz SFXPZVOZNYIJSI-PMACEKPBSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000432962709 979025963 /nfs/dbraw/zinc/02/59/63/979025963.db2.gz SFXPZVOZNYIJSI-PMACEKPBSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000432962709 979025967 /nfs/dbraw/zinc/02/59/67/979025967.db2.gz SFXPZVOZNYIJSI-PMACEKPBSA-N 2 2 411.384 3.671 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000433177255 979119824 /nfs/dbraw/zinc/11/98/24/979119824.db2.gz DGQFXGCSDKMGHE-AMIJONBRSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000433177255 979119828 /nfs/dbraw/zinc/11/98/28/979119828.db2.gz DGQFXGCSDKMGHE-AMIJONBRSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177255 979119831 /nfs/dbraw/zinc/11/98/31/979119831.db2.gz DGQFXGCSDKMGHE-AMIJONBRSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177255 979119834 /nfs/dbraw/zinc/11/98/34/979119834.db2.gz DGQFXGCSDKMGHE-AMIJONBRSA-N 2 2 414.590 3.694 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433401631 979277967 /nfs/dbraw/zinc/27/79/67/979277967.db2.gz SYDBJLZVAKPEQE-HMXCVIKNSA-N 2 2 408.558 3.517 20 0 HHADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433915447 979677148 /nfs/dbraw/zinc/67/71/48/979677148.db2.gz PTDLOHMEXKDHNH-QHCPKHFHSA-N 2 2 421.589 3.946 20 0 HHADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433935783 979694373 /nfs/dbraw/zinc/69/43/73/979694373.db2.gz YBRRSEWLOPVYJO-IBGZPJMESA-N 2 2 401.599 3.621 20 0 HHADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433935783 979694379 /nfs/dbraw/zinc/69/43/79/979694379.db2.gz YBRRSEWLOPVYJO-IBGZPJMESA-N 2 2 401.599 3.621 20 0 HHADLP CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000434107619 979858900 /nfs/dbraw/zinc/85/89/00/979858900.db2.gz YFLAIOOCUAHIMY-QFIPXVFZSA-N 2 2 404.574 3.723 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434183461 979948715 /nfs/dbraw/zinc/94/87/15/979948715.db2.gz NMZJVAAIQNYCSP-HSZRJFAPSA-N 2 2 408.546 3.821 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370509 980119147 /nfs/dbraw/zinc/11/91/47/980119147.db2.gz PLEQNCWCAMTPQO-WMZHIEFXSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370509 980119149 /nfs/dbraw/zinc/11/91/49/980119149.db2.gz PLEQNCWCAMTPQO-WMZHIEFXSA-N 2 2 421.589 3.629 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434456287 980191862 /nfs/dbraw/zinc/19/18/62/980191862.db2.gz IYIDVKZYEVBCTN-AFXVXQJMSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434456287 980191868 /nfs/dbraw/zinc/19/18/68/980191868.db2.gz IYIDVKZYEVBCTN-AFXVXQJMSA-N 2 2 416.585 3.660 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1nc2ccc(F)cc2s1 ZINC000434686043 980338661 /nfs/dbraw/zinc/33/86/61/980338661.db2.gz QWVSJHKYZDYJCI-UHFFFAOYSA-N 2 2 413.522 3.786 20 0 HHADLP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434685564 980338726 /nfs/dbraw/zinc/33/87/26/980338726.db2.gz QJIJOBOVOWQDPI-UHFFFAOYSA-N 2 2 401.576 3.571 20 0 HHADLP COc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c(OC)c1 ZINC000434690004 980341874 /nfs/dbraw/zinc/34/18/74/980341874.db2.gz YOSXVAUCBJQSGO-UHFFFAOYSA-N 2 2 423.517 3.666 20 0 HHADLP Cc1nc2cc(Cl)c(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000435188532 980708251 /nfs/dbraw/zinc/70/82/51/980708251.db2.gz OHAWQBCWCGBXEY-UHFFFAOYSA-N 2 2 409.987 3.748 20 0 HHADLP Cc1nc2cc(Cl)c(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000435188532 980708253 /nfs/dbraw/zinc/70/82/53/980708253.db2.gz OHAWQBCWCGBXEY-UHFFFAOYSA-N 2 2 409.987 3.748 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047597 981178464 /nfs/dbraw/zinc/17/84/64/981178464.db2.gz IOSKWHPJVBMDML-GOTSBHOMSA-N 2 2 413.606 3.982 20 0 HHADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000436047597 981178467 /nfs/dbraw/zinc/17/84/67/981178467.db2.gz IOSKWHPJVBMDML-GOTSBHOMSA-N 2 2 413.606 3.982 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436599882 981467220 /nfs/dbraw/zinc/46/72/20/981467220.db2.gz CQOYRQUASLQWSH-PKTZIBPZSA-N 2 2 409.574 3.955 20 0 HHADLP CN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436599882 981467223 /nfs/dbraw/zinc/46/72/23/981467223.db2.gz CQOYRQUASLQWSH-PKTZIBPZSA-N 2 2 409.574 3.955 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600196 981467946 /nfs/dbraw/zinc/46/79/46/981467946.db2.gz DPBAXKALNGVUOA-YADHBBJMSA-N 2 2 401.595 3.925 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600196 981467947 /nfs/dbraw/zinc/46/79/47/981467947.db2.gz DPBAXKALNGVUOA-YADHBBJMSA-N 2 2 401.595 3.925 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000437146912 981796285 /nfs/dbraw/zinc/79/62/85/981796285.db2.gz RGLLRPNXJJKQHT-FGZHOGPDSA-N 2 2 407.606 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448472968 981814534 /nfs/dbraw/zinc/81/45/34/981814534.db2.gz KLWNLHFLZKZBGK-QFIPXVFZSA-N 2 2 415.626 3.698 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448472968 981814552 /nfs/dbraw/zinc/81/45/52/981814552.db2.gz KLWNLHFLZKZBGK-QFIPXVFZSA-N 2 2 415.626 3.698 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318162 982095891 /nfs/dbraw/zinc/09/58/91/982095891.db2.gz KVISOCFFKBJSOH-QFBILLFUSA-N 2 2 421.467 3.510 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318162 982095895 /nfs/dbraw/zinc/09/58/95/982095895.db2.gz KVISOCFFKBJSOH-QFBILLFUSA-N 2 2 421.467 3.510 20 0 HHADLP COc1ccc(CCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460486724 982278208 /nfs/dbraw/zinc/27/82/08/982278208.db2.gz DQAGYEXURUEZIQ-UHFFFAOYSA-N 2 2 415.622 3.865 20 0 HHADLP C[NH+]1CCC(CNC(=O)Cc2coc3cc4c(cc23)CCC4)([NH+]2CCCCC2)CC1 ZINC000460490737 982280129 /nfs/dbraw/zinc/28/01/29/982280129.db2.gz HIFANEVNXBGBED-UHFFFAOYSA-N 2 2 409.574 3.531 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)([NH+]2CCCCC2)CC1 ZINC000460500689 982289627 /nfs/dbraw/zinc/28/96/27/982289627.db2.gz CVMFHLQGSHXUCM-UHFFFAOYSA-N 2 2 408.590 3.681 20 0 HHADLP C[C@H](Sc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460501815 982291148 /nfs/dbraw/zinc/29/11/48/982291148.db2.gz PCHFYYATHXRELA-KRWDZBQOSA-N 2 2 410.027 3.887 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460503687 982292854 /nfs/dbraw/zinc/29/28/54/982292854.db2.gz NEOYWZZRJNLHOK-UHFFFAOYSA-N 2 2 402.341 3.813 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000437979849 982503247 /nfs/dbraw/zinc/50/32/47/982503247.db2.gz ZBAZNIIYLIFKCH-IBGZPJMESA-N 2 2 421.948 3.680 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000437979849 982503257 /nfs/dbraw/zinc/50/32/57/982503257.db2.gz ZBAZNIIYLIFKCH-IBGZPJMESA-N 2 2 421.948 3.680 20 0 HHADLP CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000438203560 982650963 /nfs/dbraw/zinc/65/09/63/982650963.db2.gz SHZXSIWTCCSHKA-UHFFFAOYSA-N 2 2 406.546 3.685 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438276200 982694649 /nfs/dbraw/zinc/69/46/49/982694649.db2.gz DFWLLEHDHVGBDM-OFVILXPXSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000438276200 982694652 /nfs/dbraw/zinc/69/46/52/982694652.db2.gz DFWLLEHDHVGBDM-OFVILXPXSA-N 2 2 420.601 3.673 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000460987601 982709737 /nfs/dbraw/zinc/70/97/37/982709737.db2.gz LLHQPNVWDKYDHI-UHFFFAOYSA-N 2 2 419.491 3.869 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000460987601 982709740 /nfs/dbraw/zinc/70/97/40/982709740.db2.gz LLHQPNVWDKYDHI-UHFFFAOYSA-N 2 2 419.491 3.869 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000438563227 982903894 /nfs/dbraw/zinc/90/38/94/982903894.db2.gz TXRLQGDUCJSCRO-INIZCTEOSA-N 2 2 409.361 3.733 20 0 HHADLP CC(C)Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2ccccc21 ZINC000461282656 982982593 /nfs/dbraw/zinc/98/25/93/982982593.db2.gz GOBXZFKVJAARCI-UHFFFAOYSA-N 2 2 410.606 3.977 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)([NH+]2CCCCC2)CC1 ZINC000461289761 982989106 /nfs/dbraw/zinc/98/91/06/982989106.db2.gz HIALQEJBISGYII-UHFFFAOYSA-N 2 2 422.982 3.737 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461435523 983098171 /nfs/dbraw/zinc/09/81/71/983098171.db2.gz XVTUHUMYIHUMAG-YADHBBJMSA-N 2 2 400.526 3.775 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461435523 983098178 /nfs/dbraw/zinc/09/81/78/983098178.db2.gz XVTUHUMYIHUMAG-YADHBBJMSA-N 2 2 400.526 3.775 20 0 HHADLP O[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000439140284 983269466 /nfs/dbraw/zinc/26/94/66/983269466.db2.gz YURGKYMEJIGNMT-YLJYHZDGSA-N 2 2 421.404 3.971 20 0 HHADLP O[C@H](C[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000439140284 983269470 /nfs/dbraw/zinc/26/94/70/983269470.db2.gz YURGKYMEJIGNMT-YLJYHZDGSA-N 2 2 421.404 3.971 20 0 HHADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322885 983365074 /nfs/dbraw/zinc/36/50/74/983365074.db2.gz QCKMQNSNRXTUBB-REWPJTCUSA-N 2 2 407.558 3.725 20 0 HHADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000439322885 983365081 /nfs/dbraw/zinc/36/50/81/983365081.db2.gz QCKMQNSNRXTUBB-REWPJTCUSA-N 2 2 407.558 3.725 20 0 HHADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805937 983545512 /nfs/dbraw/zinc/54/55/12/983545512.db2.gz KVBVPADIZDKEGR-YADARESESA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805937 983545517 /nfs/dbraw/zinc/54/55/17/983545517.db2.gz KVBVPADIZDKEGR-YADARESESA-N 2 2 408.590 3.824 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000441192973 984108491 /nfs/dbraw/zinc/10/84/91/984108491.db2.gz WZNVUMTZFDLDMM-FQEVSTJZSA-N 2 2 424.589 3.563 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000441192973 984108492 /nfs/dbraw/zinc/10/84/92/984108492.db2.gz WZNVUMTZFDLDMM-FQEVSTJZSA-N 2 2 424.589 3.563 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1OC ZINC000441364149 984209815 /nfs/dbraw/zinc/20/98/15/984209815.db2.gz LPLRXSDUERRTEC-RXVVDRJESA-N 2 2 422.529 3.875 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCCc2ccccc2C)c(C)c1 ZINC000441375178 984217350 /nfs/dbraw/zinc/21/73/50/984217350.db2.gz XQRZEFSWAFXZQG-ZJSXRUAMSA-N 2 2 404.558 3.887 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)c1 ZINC000441375960 984217939 /nfs/dbraw/zinc/21/79/39/984217939.db2.gz ZSFMUNKCNXLFCF-UWJYYQICSA-N 2 2 423.492 3.707 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400790 984231700 /nfs/dbraw/zinc/23/17/00/984231700.db2.gz DZGIOBGNKFLNEP-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400790 984231709 /nfs/dbraw/zinc/23/17/09/984231709.db2.gz DZGIOBGNKFLNEP-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400790 984231712 /nfs/dbraw/zinc/23/17/12/984231712.db2.gz DZGIOBGNKFLNEP-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400790 984231721 /nfs/dbraw/zinc/23/17/21/984231721.db2.gz DZGIOBGNKFLNEP-UZLBHIALSA-N 2 2 410.389 3.901 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400464 984231812 /nfs/dbraw/zinc/23/18/12/984231812.db2.gz GLGVGGUIWJZFOD-CDHQVMDDSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400464 984231817 /nfs/dbraw/zinc/23/18/17/984231817.db2.gz GLGVGGUIWJZFOD-CDHQVMDDSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400464 984231823 /nfs/dbraw/zinc/23/18/23/984231823.db2.gz GLGVGGUIWJZFOD-CDHQVMDDSA-N 2 2 423.479 3.639 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000441400464 984231828 /nfs/dbraw/zinc/23/18/28/984231828.db2.gz GLGVGGUIWJZFOD-CDHQVMDDSA-N 2 2 423.479 3.639 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404376 984234139 /nfs/dbraw/zinc/23/41/39/984234139.db2.gz NFXGPSUNZBRASD-UGKGYDQZSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404376 984234140 /nfs/dbraw/zinc/23/41/40/984234140.db2.gz NFXGPSUNZBRASD-UGKGYDQZSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404376 984234142 /nfs/dbraw/zinc/23/41/42/984234142.db2.gz NFXGPSUNZBRASD-UGKGYDQZSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441404376 984234144 /nfs/dbraw/zinc/23/41/44/984234144.db2.gz NFXGPSUNZBRASD-UGKGYDQZSA-N 2 2 401.570 3.902 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000442206162 984726151 /nfs/dbraw/zinc/72/61/51/984726151.db2.gz FXTDSQUOZMRPLT-NQAMIAIDSA-N 2 2 402.583 3.538 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000442237059 984758271 /nfs/dbraw/zinc/75/82/71/984758271.db2.gz NNCDFXBFRAHWDT-FGCOXFRFSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000442237059 984758274 /nfs/dbraw/zinc/75/82/74/984758274.db2.gz NNCDFXBFRAHWDT-FGCOXFRFSA-N 2 2 421.589 3.900 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217489 985197776 /nfs/dbraw/zinc/19/77/76/985197776.db2.gz AINRFRXGPVAZJH-SFYKDHMMSA-N 2 2 403.530 3.753 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217489 985197779 /nfs/dbraw/zinc/19/77/79/985197779.db2.gz AINRFRXGPVAZJH-SFYKDHMMSA-N 2 2 403.530 3.753 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](C)c3cc4ccccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000442891350 985263382 /nfs/dbraw/zinc/26/33/82/985263382.db2.gz RBZYCDAZLJRWJQ-GOSISDBHSA-N 2 2 421.545 3.654 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)[NH+]2CCCC2)o1 ZINC000462318164 985306427 /nfs/dbraw/zinc/30/64/27/985306427.db2.gz ZRHYNFSTHLCRIF-UYAOXDASSA-N 2 2 416.591 3.875 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462617134 985560432 /nfs/dbraw/zinc/56/04/32/985560432.db2.gz NPKWJLWETPIIJJ-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462617134 985560438 /nfs/dbraw/zinc/56/04/38/985560438.db2.gz NPKWJLWETPIIJJ-DQEYMECFSA-N 2 2 422.617 3.963 20 0 HHADLP Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000468018366 985671687 /nfs/dbraw/zinc/67/16/87/985671687.db2.gz QMLBAWVIPRVHPQ-UHFFFAOYSA-N 2 2 415.475 3.833 20 0 HHADLP CCC(C)(C)C1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000462742079 985682639 /nfs/dbraw/zinc/68/26/39/985682639.db2.gz COJRJDNTJBEFAV-CBNMVNINSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000462846254 985770880 /nfs/dbraw/zinc/77/08/80/985770880.db2.gz RUSPNICUZZLTRO-GOSISDBHSA-N 2 2 401.982 3.940 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000462901830 985831202 /nfs/dbraw/zinc/83/12/02/985831202.db2.gz XZERARCUSIOFLY-AWEZNQCLSA-N 2 2 413.356 3.526 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000462915005 985846813 /nfs/dbraw/zinc/84/68/13/985846813.db2.gz SSCCZPWCSQUUCT-UHFFFAOYSA-N 2 2 400.485 3.990 20 0 HHADLP Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000468322943 986018568 /nfs/dbraw/zinc/01/85/68/986018568.db2.gz ZDYPWCCEJHAJHK-HXUWFJFHSA-N 2 2 415.626 3.864 20 0 HHADLP Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468322943 986018584 /nfs/dbraw/zinc/01/85/84/986018584.db2.gz ZDYPWCCEJHAJHK-HXUWFJFHSA-N 2 2 415.626 3.864 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077061 986034932 /nfs/dbraw/zinc/03/49/32/986034932.db2.gz MFDPAVITWIWUHI-WIOPSUGQSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077061 986034941 /nfs/dbraw/zinc/03/49/41/986034941.db2.gz MFDPAVITWIWUHI-WIOPSUGQSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463113184 986076189 /nfs/dbraw/zinc/07/61/89/986076189.db2.gz AAIIFKQROIKMII-OAQYLSRUSA-N 3 2 424.608 3.935 20 0 HHADLP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463113184 986076200 /nfs/dbraw/zinc/07/62/00/986076200.db2.gz AAIIFKQROIKMII-OAQYLSRUSA-N 2 2 424.608 3.935 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087952 /nfs/dbraw/zinc/08/79/52/986087952.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 3 2 405.602 3.559 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087961 /nfs/dbraw/zinc/08/79/61/986087961.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 3 2 405.602 3.559 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)c1 ZINC000463138082 986106040 /nfs/dbraw/zinc/10/60/40/986106040.db2.gz UNLIVEOIYCVADJ-UHFFFAOYSA-N 2 2 412.544 3.514 20 0 HHADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463137618 986106165 /nfs/dbraw/zinc/10/61/65/986106165.db2.gz LLVDECAUKHTVRH-SANMLTNESA-N 2 2 407.602 3.665 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000463187433 986158845 /nfs/dbraw/zinc/15/88/45/986158845.db2.gz BAUNTWISYMMXAS-NRFANRHFSA-N 2 2 421.354 3.918 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203868 986175920 /nfs/dbraw/zinc/17/59/20/986175920.db2.gz POPKXSPBHOMAAB-PLFWLVBQSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203868 986175927 /nfs/dbraw/zinc/17/59/27/986175927.db2.gz POPKXSPBHOMAAB-PLFWLVBQSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203868 986175937 /nfs/dbraw/zinc/17/59/37/986175937.db2.gz POPKXSPBHOMAAB-PLFWLVBQSA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203868 986175942 /nfs/dbraw/zinc/17/59/42/986175942.db2.gz POPKXSPBHOMAAB-PLFWLVBQSA-N 2 2 400.607 3.929 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000463241395 986209333 /nfs/dbraw/zinc/20/93/33/986209333.db2.gz FBAIBRWIYXQHRJ-INIZCTEOSA-N 2 2 414.377 3.579 20 0 HHADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2C)cc1 ZINC000468518389 986221577 /nfs/dbraw/zinc/22/15/77/986221577.db2.gz VZNZRWGUEJCCGS-NRFANRHFSA-N 2 2 407.562 3.745 20 0 HHADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2C)cc1 ZINC000468518389 986221593 /nfs/dbraw/zinc/22/15/93/986221593.db2.gz VZNZRWGUEJCCGS-NRFANRHFSA-N 2 2 407.562 3.745 20 0 HHADLP Cc1ccc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c(-n2cc(Cl)cn2)n1 ZINC000468592958 986302511 /nfs/dbraw/zinc/30/25/11/986302511.db2.gz WUKWEHCWFMBSSM-UHFFFAOYSA-N 2 2 416.982 3.742 20 0 HHADLP Cc1ccc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c(-n2cc(Cl)cn2)n1 ZINC000468592958 986302516 /nfs/dbraw/zinc/30/25/16/986302516.db2.gz WUKWEHCWFMBSSM-UHFFFAOYSA-N 2 2 416.982 3.742 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000444210905 986393214 /nfs/dbraw/zinc/39/32/14/986393214.db2.gz IRZYLSWSMXJHIQ-HXUWFJFHSA-N 2 2 406.574 3.591 20 0 HHADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000444210905 986393223 /nfs/dbraw/zinc/39/32/23/986393223.db2.gz IRZYLSWSMXJHIQ-HXUWFJFHSA-N 2 2 406.574 3.591 20 0 HHADLP Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000468708398 986423136 /nfs/dbraw/zinc/42/31/36/986423136.db2.gz UDWCKAJUQKYETB-UHFFFAOYSA-N 2 2 411.550 3.768 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468733084 986445952 /nfs/dbraw/zinc/44/59/52/986445952.db2.gz GKLKPMVQDNJVOL-UYAOXDASSA-N 2 2 414.516 3.613 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468733084 986445954 /nfs/dbraw/zinc/44/59/54/986445954.db2.gz GKLKPMVQDNJVOL-UYAOXDASSA-N 2 2 414.516 3.613 20 0 HHADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000444270273 986463637 /nfs/dbraw/zinc/46/36/37/986463637.db2.gz OCCRFOHJONSGBL-UHFFFAOYSA-N 2 2 418.607 3.556 20 0 HHADLP CCn1c2cc(Br)ccc2[nH+]c1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000463509509 986484946 /nfs/dbraw/zinc/48/49/46/986484946.db2.gz OBBLVBOTHKBBFI-UHFFFAOYSA-N 2 2 411.307 4.320 20 0 HHADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468940697 986645115 /nfs/dbraw/zinc/64/51/15/986645115.db2.gz JEXBZBWXYSQZQI-SJORKVTESA-N 2 2 421.383 3.524 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)CC1 ZINC000469020394 986729207 /nfs/dbraw/zinc/72/92/07/986729207.db2.gz REWYESUOMZMNRI-QHCPKHFHSA-N 2 2 408.546 3.676 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccccc2F)no1 ZINC000444601005 986787878 /nfs/dbraw/zinc/78/78/78/986787878.db2.gz XPEVEVYDXNQJIC-UHFFFAOYSA-N 3 2 415.557 3.504 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(-c2ccccc2F)no1 ZINC000444601005 986787888 /nfs/dbraw/zinc/78/78/88/986787888.db2.gz XPEVEVYDXNQJIC-UHFFFAOYSA-N 3 2 415.557 3.504 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c2cccs2)CC1 ZINC000469143630 986864608 /nfs/dbraw/zinc/86/46/08/986864608.db2.gz DFXVJDIJSPARGW-PMACEKPBSA-N 2 2 414.575 3.779 20 0 HHADLP Cc1cc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1F ZINC000444744754 986909797 /nfs/dbraw/zinc/90/97/97/986909797.db2.gz OCARTMWMSAJNNE-UHFFFAOYSA-N 2 2 401.551 3.753 20 0 HHADLP Cc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1F ZINC000444744754 986909804 /nfs/dbraw/zinc/90/98/04/986909804.db2.gz OCARTMWMSAJNNE-UHFFFAOYSA-N 2 2 401.551 3.753 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)s1 ZINC000444762695 986923466 /nfs/dbraw/zinc/92/34/66/986923466.db2.gz RAGGEQFXUPAJRX-HNNXBMFYSA-N 2 2 422.392 3.506 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803188 986958856 /nfs/dbraw/zinc/95/88/56/986958856.db2.gz YXCNSDZMOFHSMN-HUUCEWRRSA-N 2 2 405.340 3.698 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803188 986958864 /nfs/dbraw/zinc/95/88/64/986958864.db2.gz YXCNSDZMOFHSMN-HUUCEWRRSA-N 2 2 405.340 3.698 20 0 HHADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000469257388 986976203 /nfs/dbraw/zinc/97/62/03/986976203.db2.gz XFXIWNDPFWRPDA-LJQANCHMSA-N 2 2 419.635 3.674 20 0 HHADLP CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444849626 987007496 /nfs/dbraw/zinc/00/74/96/987007496.db2.gz NROZTMUYMWYWAZ-UHFFFAOYSA-N 2 2 424.593 3.811 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2)CC1 ZINC000469745248 987396386 /nfs/dbraw/zinc/39/63/86/987396386.db2.gz PHWOSSQLCPPVHZ-YMPZKCBVSA-N 2 2 409.578 3.949 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469763680 987416535 /nfs/dbraw/zinc/41/65/35/987416535.db2.gz LDEVZTZKFWOSIC-XZOQPEGZSA-N 2 2 422.573 3.717 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469763680 987416538 /nfs/dbraw/zinc/41/65/38/987416538.db2.gz LDEVZTZKFWOSIC-XZOQPEGZSA-N 2 2 422.573 3.717 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469842379 987477395 /nfs/dbraw/zinc/47/73/95/987477395.db2.gz NUEZVEAAVZRLMX-NRFANRHFSA-N 2 2 414.937 3.562 20 0 HHADLP Cc1nc(-c2cccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2)cs1 ZINC000464016803 988128249 /nfs/dbraw/zinc/12/82/49/988128249.db2.gz HKAKJEDPDMBFIV-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314088 988443249 /nfs/dbraw/zinc/44/32/49/988443249.db2.gz BDZNIZKLIICYTQ-RBZQAINGSA-N 2 2 415.622 3.984 20 0 HHADLP CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314088 988443258 /nfs/dbraw/zinc/44/32/58/988443258.db2.gz BDZNIZKLIICYTQ-RBZQAINGSA-N 2 2 415.622 3.984 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439842 988610503 /nfs/dbraw/zinc/61/05/03/988610503.db2.gz PSASHJHMPMZTGP-BJKOFHAPSA-N 2 2 412.622 3.851 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439842 988610504 /nfs/dbraw/zinc/61/05/04/988610504.db2.gz PSASHJHMPMZTGP-BJKOFHAPSA-N 2 2 412.622 3.851 20 0 HHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000464603860 988784760 /nfs/dbraw/zinc/78/47/60/988784760.db2.gz WDBSTYPOLOQJAK-ICSRJNTNSA-N 2 2 411.594 3.503 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000464777814 989003892 /nfs/dbraw/zinc/00/38/92/989003892.db2.gz PJJOSMOQNMKOER-FQEVSTJZSA-N 2 2 407.558 3.910 20 0 HHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000464777814 989003903 /nfs/dbraw/zinc/00/39/03/989003903.db2.gz PJJOSMOQNMKOER-FQEVSTJZSA-N 2 2 407.558 3.910 20 0 HHADLP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807051 989038823 /nfs/dbraw/zinc/03/88/23/989038823.db2.gz RYTYTWTWGAHGMD-LJQANCHMSA-N 2 2 412.553 3.979 20 0 HHADLP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807051 989038835 /nfs/dbraw/zinc/03/88/35/989038835.db2.gz RYTYTWTWGAHGMD-LJQANCHMSA-N 2 2 412.553 3.979 20 0 HHADLP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807957 989040400 /nfs/dbraw/zinc/04/04/00/989040400.db2.gz VYLKQMTUZLSEAB-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807957 989040412 /nfs/dbraw/zinc/04/04/12/989040412.db2.gz VYLKQMTUZLSEAB-UHFFFAOYSA-N 2 2 423.561 3.585 20 0 HHADLP CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812044 989046898 /nfs/dbraw/zinc/04/68/98/989046898.db2.gz TZVFVFYDCIUTNZ-UHFFFAOYSA-N 2 2 420.557 3.696 20 0 HHADLP CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812044 989046911 /nfs/dbraw/zinc/04/69/11/989046911.db2.gz TZVFVFYDCIUTNZ-UHFFFAOYSA-N 2 2 420.557 3.696 20 0 HHADLP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832106 989072440 /nfs/dbraw/zinc/07/24/40/989072440.db2.gz BOHUZUHVRKHXDD-TZIWHRDSSA-N 2 2 410.562 3.749 20 0 HHADLP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832106 989072459 /nfs/dbraw/zinc/07/24/59/989072459.db2.gz BOHUZUHVRKHXDD-TZIWHRDSSA-N 2 2 410.562 3.749 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471182567 989313488 /nfs/dbraw/zinc/31/34/88/989313488.db2.gz SFWSMWOIVCUXAY-HOTGVXAUSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471182567 989313500 /nfs/dbraw/zinc/31/35/00/989313500.db2.gz SFWSMWOIVCUXAY-HOTGVXAUSA-N 2 2 423.542 3.930 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465229551 989579294 /nfs/dbraw/zinc/57/92/94/989579294.db2.gz YZSCUMMCYASMGG-UHFFFAOYSA-N 2 2 409.018 3.576 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000465229551 989579309 /nfs/dbraw/zinc/57/93/09/989579309.db2.gz YZSCUMMCYASMGG-UHFFFAOYSA-N 2 2 409.018 3.576 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465537901 989900620 /nfs/dbraw/zinc/90/06/20/989900620.db2.gz DHQXPRDBAXQZDP-LPHOPBHVSA-N 2 2 410.965 3.742 20 0 HHADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000465537903 989901044 /nfs/dbraw/zinc/90/10/44/989901044.db2.gz DHQXPRDBAXQZDP-QFBILLFUSA-N 2 2 410.965 3.742 20 0 HHADLP COc1ccc2ccccc2c1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465556934 989921120 /nfs/dbraw/zinc/92/11/20/989921120.db2.gz BZZLRNLVGMQFHU-UHFFFAOYSA-N 2 2 424.589 3.598 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000465781138 990164791 /nfs/dbraw/zinc/16/47/91/990164791.db2.gz LZNSGPMUWDFVFK-UHFFFAOYSA-N 2 2 401.599 3.594 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC2(Sc3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000465875802 990990634 /nfs/dbraw/zinc/99/06/34/990990634.db2.gz MMXJOGCSEMIIEJ-UHFFFAOYSA-N 2 2 416.635 3.561 20 0 HHADLP CCC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465941401 991080365 /nfs/dbraw/zinc/08/03/65/991080365.db2.gz WFFVRIRWYDPPLD-QFIPXVFZSA-N 2 2 400.611 3.647 20 0 HHADLP C[C@@H]1C[C@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136298 991316926 /nfs/dbraw/zinc/31/69/26/991316926.db2.gz XWDWZXQMOQXFBD-MAODMQOUSA-N 2 2 407.002 3.705 20 0 HHADLP C[C@@H]1C[C@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136298 991316933 /nfs/dbraw/zinc/31/69/33/991316933.db2.gz XWDWZXQMOQXFBD-MAODMQOUSA-N 2 2 407.002 3.705 20 0 HHADLP CC[C@H](C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466137204 991317573 /nfs/dbraw/zinc/31/75/73/991317573.db2.gz ATEWJKUDIQEIOF-IBGZPJMESA-N 2 2 402.583 3.936 20 0 HHADLP C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466139632 991320726 /nfs/dbraw/zinc/32/07/26/991320726.db2.gz CABRAUJDBSAGAH-SFHVURJKSA-N 2 2 407.002 3.993 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)([NH+]2CCCCC2)CC1 ZINC000466146239 991329060 /nfs/dbraw/zinc/32/90/60/991329060.db2.gz NVWYDKSWJRFANG-OAQYLSRUSA-N 2 2 402.558 3.623 20 0 HHADLP CC(C)N(Cc1cccc(F)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466145885 991329304 /nfs/dbraw/zinc/32/93/04/991329304.db2.gz NATANDMPPJOFAD-UHFFFAOYSA-N 2 2 404.574 3.696 20 0 HHADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154089 991339342 /nfs/dbraw/zinc/33/93/42/991339342.db2.gz NPZSCMDOZAVZMX-TZIWHRDSSA-N 2 2 416.585 3.663 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467114118 992427239 /nfs/dbraw/zinc/42/72/39/992427239.db2.gz MQUIUOQYUCDUOB-UHFFFAOYSA-N 2 2 400.954 3.500 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000467114118 992427246 /nfs/dbraw/zinc/42/72/46/992427246.db2.gz MQUIUOQYUCDUOB-UHFFFAOYSA-N 2 2 400.954 3.500 20 0 HHADLP c1c[nH]c(C2CC[NH+](Cc3ccc(C[NH+]4CCC(c5[nH]cc[nH+]5)CC4)cc3)CC2)n1 ZINC000467145134 992460912 /nfs/dbraw/zinc/46/09/12/992460912.db2.gz WLHZTMFIVBPORD-UHFFFAOYSA-N 3 2 404.562 3.892 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483590 992773075 /nfs/dbraw/zinc/77/30/75/992773075.db2.gz PJAVOJVRUXJQTJ-JXALWOEJSA-N 2 2 422.573 3.864 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000467483590 992773082 /nfs/dbraw/zinc/77/30/82/992773082.db2.gz PJAVOJVRUXJQTJ-JXALWOEJSA-N 2 2 422.573 3.864 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc([C@H](C)[NH+]3CCOCC3)c1)CC2 ZINC000467710606 992963395 /nfs/dbraw/zinc/96/33/95/992963395.db2.gz KTDBBEOZJNTHTJ-BWAGFHJFSA-N 2 2 400.567 3.559 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc([C@H](C)[NH+]3CCOCC3)c1)CC2 ZINC000467710606 992963402 /nfs/dbraw/zinc/96/34/02/992963402.db2.gz KTDBBEOZJNTHTJ-BWAGFHJFSA-N 2 2 400.567 3.559 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000467751565 992997700 /nfs/dbraw/zinc/99/77/00/992997700.db2.gz HHWYWPFLCLYIKU-FCHUYYIVSA-N 2 2 403.954 3.764 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000467751565 992997707 /nfs/dbraw/zinc/99/77/07/992997707.db2.gz HHWYWPFLCLYIKU-FCHUYYIVSA-N 2 2 403.954 3.764 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281904 993300894 /nfs/dbraw/zinc/30/08/94/993300894.db2.gz XYRNFBZOTSBFBS-LPHOPBHVSA-N 2 2 406.958 3.808 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281904 993300901 /nfs/dbraw/zinc/30/09/01/993300901.db2.gz XYRNFBZOTSBFBS-LPHOPBHVSA-N 2 2 406.958 3.808 20 0 HHADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000472570230 993540623 /nfs/dbraw/zinc/54/06/23/993540623.db2.gz MLCPDAIUSFNNPF-WOJBJXKFSA-N 2 2 412.578 3.680 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000480730877 993596796 /nfs/dbraw/zinc/59/67/96/993596796.db2.gz QAKAJFXDOKZXAY-JOCHJYFZSA-N 2 2 417.601 3.920 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756795 993622937 /nfs/dbraw/zinc/62/29/37/993622937.db2.gz AFXHLPXJUZVYFS-VGSWGCGISA-N 2 2 401.576 3.619 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000480756795 993622942 /nfs/dbraw/zinc/62/29/42/993622942.db2.gz AFXHLPXJUZVYFS-VGSWGCGISA-N 2 2 401.576 3.619 20 0 HHADLP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C[N@@H+]1CCc2ccccc2C1 ZINC000480790984 993660443 /nfs/dbraw/zinc/66/04/43/993660443.db2.gz XQWXTXFLCKQJOX-DYESRHJHSA-N 2 2 419.338 3.584 20 0 HHADLP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C[N@H+]1CCc2ccccc2C1 ZINC000480790984 993660448 /nfs/dbraw/zinc/66/04/48/993660448.db2.gz XQWXTXFLCKQJOX-DYESRHJHSA-N 2 2 419.338 3.584 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000480794509 993663922 /nfs/dbraw/zinc/66/39/22/993663922.db2.gz SJVZZQPXSLNKSK-XUZZJYLKSA-N 2 2 412.622 3.646 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472764880 993703660 /nfs/dbraw/zinc/70/36/60/993703660.db2.gz FEVBQALAOMQKKE-FXAWDEMLSA-N 2 2 407.327 3.561 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000472764880 993703668 /nfs/dbraw/zinc/70/36/68/993703668.db2.gz FEVBQALAOMQKKE-FXAWDEMLSA-N 2 2 407.327 3.561 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc2ccccc2n1 ZINC000480884269 993746545 /nfs/dbraw/zinc/74/65/45/993746545.db2.gz WRASPOZBKGXVCF-LJQANCHMSA-N 2 2 418.541 3.746 20 0 HHADLP CC(C)C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000480907385 993763943 /nfs/dbraw/zinc/76/39/43/993763943.db2.gz ZOVIJIPOYWXZAO-HSZRJFAPSA-N 2 2 410.562 3.619 20 0 HHADLP Brc1ccc2[nH]c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000481079115 993918513 /nfs/dbraw/zinc/91/85/13/993918513.db2.gz VBVSGMWHBUJJNG-UHFFFAOYSA-N 2 2 421.383 3.650 20 0 HHADLP Brc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000481079115 993918524 /nfs/dbraw/zinc/91/85/24/993918524.db2.gz VBVSGMWHBUJJNG-UHFFFAOYSA-N 2 2 421.383 3.650 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163600 993995851 /nfs/dbraw/zinc/99/58/51/993995851.db2.gz AJJMLRGTLQGJOJ-OFNKIYASSA-N 2 2 421.589 3.511 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163600 993995864 /nfs/dbraw/zinc/99/58/64/993995864.db2.gz AJJMLRGTLQGJOJ-OFNKIYASSA-N 2 2 421.589 3.511 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183153 994013594 /nfs/dbraw/zinc/01/35/94/994013594.db2.gz QIKPCDJEDWSRFJ-WMZOPIPTSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000481183153 994013606 /nfs/dbraw/zinc/01/36/06/994013606.db2.gz QIKPCDJEDWSRFJ-WMZOPIPTSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC(F)F ZINC000481187970 994020302 /nfs/dbraw/zinc/02/03/02/994020302.db2.gz HQDJDMRKWHIENP-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccc1SC ZINC000481197806 994031356 /nfs/dbraw/zinc/03/13/56/994031356.db2.gz AIEGUNDMVSZMSY-SFHVURJKSA-N 2 2 416.587 3.979 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481305849 994122256 /nfs/dbraw/zinc/12/22/56/994122256.db2.gz GKUALWJKVUZPPD-ZWKOTPCHSA-N 2 2 404.514 3.942 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000481314072 994131927 /nfs/dbraw/zinc/13/19/27/994131927.db2.gz BBWIOBHOUBVESJ-SFHVURJKSA-N 2 2 408.546 3.654 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550192 994383385 /nfs/dbraw/zinc/38/33/85/994383385.db2.gz ZYVZLTQWYURWIY-QZTJIDSGSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccc(F)cc1 ZINC000481550192 994383392 /nfs/dbraw/zinc/38/33/92/994383392.db2.gz ZYVZLTQWYURWIY-QZTJIDSGSA-N 2 2 423.536 3.786 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1F ZINC000481562365 994397763 /nfs/dbraw/zinc/39/77/63/994397763.db2.gz LJOOSUONYSDIHC-CYBMUJFWSA-N 2 2 405.470 3.713 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583348 994424509 /nfs/dbraw/zinc/42/45/09/994424509.db2.gz QFGLRLXHMIVZGL-PMACEKPBSA-N 2 2 419.573 3.956 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccc(C)cc1 ZINC000481583348 994424521 /nfs/dbraw/zinc/42/45/21/994424521.db2.gz QFGLRLXHMIVZGL-PMACEKPBSA-N 2 2 419.573 3.956 20 0 HHADLP O=C(CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481768118 994620162 /nfs/dbraw/zinc/62/01/62/994620162.db2.gz YZGUPTGFWYKLIT-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP O=C(CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481768118 994620166 /nfs/dbraw/zinc/62/01/66/994620166.db2.gz YZGUPTGFWYKLIT-UHFFFAOYSA-N 2 2 410.949 3.563 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2)CC1 ZINC000473834255 994766933 /nfs/dbraw/zinc/76/69/33/994766933.db2.gz ZRHNDDROBIDEHA-UHFFFAOYSA-N 2 2 422.577 3.536 20 0 HHADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481919873 994792093 /nfs/dbraw/zinc/79/20/93/994792093.db2.gz JANJGFQYPQJAAI-SFHVURJKSA-N 2 2 418.950 3.675 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482004891 994906617 /nfs/dbraw/zinc/90/66/17/994906617.db2.gz WZSCWEVLDHUJLB-PWSUYJOCSA-N 2 2 408.711 3.526 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482004891 994906627 /nfs/dbraw/zinc/90/66/27/994906627.db2.gz WZSCWEVLDHUJLB-PWSUYJOCSA-N 2 2 408.711 3.526 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000473944777 994920559 /nfs/dbraw/zinc/92/05/59/994920559.db2.gz LTJCYMHJWUAVPY-WOJBJXKFSA-N 2 2 421.589 3.506 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482014985 994923508 /nfs/dbraw/zinc/92/35/08/994923508.db2.gz KSAUDKUQCNGQPM-MPGHIAIKSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482014985 994923521 /nfs/dbraw/zinc/92/35/21/994923521.db2.gz KSAUDKUQCNGQPM-MPGHIAIKSA-N 2 2 416.393 3.682 20 0 HHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482043144 994964541 /nfs/dbraw/zinc/96/45/41/994964541.db2.gz OBNUJYSACIPWFW-AUSIDOKSSA-N 2 2 409.574 3.956 20 0 HHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000482043144 994964552 /nfs/dbraw/zinc/96/45/52/994964552.db2.gz OBNUJYSACIPWFW-AUSIDOKSSA-N 2 2 409.574 3.956 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)CC[N@@H+]2C2CC2)c1 ZINC000482073776 995009076 /nfs/dbraw/zinc/00/90/76/995009076.db2.gz BKKNGZQZOWAHKS-AYCKEJKLSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)CC[N@H+]2C2CC2)c1 ZINC000482073776 995009089 /nfs/dbraw/zinc/00/90/89/995009089.db2.gz BKKNGZQZOWAHKS-AYCKEJKLSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073776 995009098 /nfs/dbraw/zinc/00/90/98/995009098.db2.gz BKKNGZQZOWAHKS-AYCKEJKLSA-N 2 2 419.569 3.536 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)CC[NH+]2C2CC2)c1 ZINC000482073776 995009110 /nfs/dbraw/zinc/00/91/10/995009110.db2.gz BKKNGZQZOWAHKS-AYCKEJKLSA-N 2 2 419.569 3.536 20 0 HHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000482137446 995087547 /nfs/dbraw/zinc/08/75/47/995087547.db2.gz ASJWETZFBRBKCL-UYAOXDASSA-N 2 2 400.592 3.899 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482149390 995100720 /nfs/dbraw/zinc/10/07/20/995100720.db2.gz JCDWYHCAFGBKTC-GDBMZVCRSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482149390 995100726 /nfs/dbraw/zinc/10/07/26/995100726.db2.gz JCDWYHCAFGBKTC-GDBMZVCRSA-N 2 2 402.366 3.659 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000474204057 995199581 /nfs/dbraw/zinc/19/95/81/995199581.db2.gz BWDGWFRWHDOHHJ-AVRDEDQJSA-N 2 2 410.562 3.600 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)o2)cc1 ZINC000482222529 995206949 /nfs/dbraw/zinc/20/69/49/995206949.db2.gz MYVHDZXXASCADI-YADHBBJMSA-N 2 2 412.530 3.591 20 0 HHADLP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000474347584 995327186 /nfs/dbraw/zinc/32/71/86/995327186.db2.gz SLDDJDKPSPWUNM-UHFFFAOYSA-N 2 2 415.965 3.853 20 0 HHADLP Cc1ccc(OCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000482364979 995346620 /nfs/dbraw/zinc/34/66/20/995346620.db2.gz KENUBRKOYLNCON-UHFFFAOYSA-N 2 2 401.595 3.529 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000474508554 995469063 /nfs/dbraw/zinc/46/90/63/995469063.db2.gz IAWIUTDMZNVHCB-FQVVGKCUSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000474508554 995469066 /nfs/dbraw/zinc/46/90/66/995469066.db2.gz IAWIUTDMZNVHCB-FQVVGKCUSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000474508556 995469085 /nfs/dbraw/zinc/46/90/85/995469085.db2.gz IAWIUTDMZNVHCB-PTLNGURQSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000474508556 995469091 /nfs/dbraw/zinc/46/90/91/995469091.db2.gz IAWIUTDMZNVHCB-PTLNGURQSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709812 995698096 /nfs/dbraw/zinc/69/80/96/995698096.db2.gz TVTUSVMANZISNF-REWPJTCUSA-N 2 2 422.573 3.657 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860839 995798370 /nfs/dbraw/zinc/79/83/70/995798370.db2.gz BFTFZSTUZGUMMU-NLFFAJNJSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000482860839 995798377 /nfs/dbraw/zinc/79/83/77/995798377.db2.gz BFTFZSTUZGUMMU-NLFFAJNJSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000475146615 995953200 /nfs/dbraw/zinc/95/32/00/995953200.db2.gz XXCZUDDLSOFINL-UWJYYQICSA-N 2 2 408.571 3.880 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475156192 995958633 /nfs/dbraw/zinc/95/86/33/995958633.db2.gz PSNAOUGZANZGDO-PKOBYXMFSA-N 2 2 402.608 3.987 20 0 HHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475156192 995958637 /nfs/dbraw/zinc/95/86/37/995958637.db2.gz PSNAOUGZANZGDO-PKOBYXMFSA-N 2 2 402.608 3.987 20 0 HHADLP O=C(CC[NH+]1CCC(c2cccc(Cl)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000483131804 995993739 /nfs/dbraw/zinc/99/37/39/995993739.db2.gz RPGMCKBRLNVVOK-UHFFFAOYSA-N 2 2 412.965 3.653 20 0 HHADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000483198035 996032172 /nfs/dbraw/zinc/03/21/72/996032172.db2.gz GTOVRXXKUIPEOY-UHFFFAOYSA-N 2 2 408.468 3.557 20 0 HHADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000483198035 996032175 /nfs/dbraw/zinc/03/21/75/996032175.db2.gz GTOVRXXKUIPEOY-UHFFFAOYSA-N 2 2 408.468 3.557 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000483354961 996120377 /nfs/dbraw/zinc/12/03/77/996120377.db2.gz JYAICDYNYNCTPT-QGZVFWFLSA-N 2 2 409.509 3.868 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000475421862 996128235 /nfs/dbraw/zinc/12/82/35/996128235.db2.gz BLUHKKVKYHJJGP-IAGOWNOFSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000475421862 996128240 /nfs/dbraw/zinc/12/82/40/996128240.db2.gz BLUHKKVKYHJJGP-IAGOWNOFSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000475421862 996128244 /nfs/dbraw/zinc/12/82/44/996128244.db2.gz BLUHKKVKYHJJGP-IAGOWNOFSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000475421862 996128251 /nfs/dbraw/zinc/12/82/51/996128251.db2.gz BLUHKKVKYHJJGP-IAGOWNOFSA-N 2 2 400.592 3.728 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)([NH+]2CCCCC2)CC1 ZINC000483391468 996146798 /nfs/dbraw/zinc/14/67/98/996146798.db2.gz DQTTXOZFSOWDIV-VQTJNVASSA-N 2 2 416.585 3.711 20 0 HHADLP CCn1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc2cc(Br)ccc21 ZINC000483492377 996215742 /nfs/dbraw/zinc/21/57/42/996215742.db2.gz SXQPXVXJQDJWPK-UHFFFAOYSA-N 2 2 414.351 3.972 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475565975 996222063 /nfs/dbraw/zinc/22/20/63/996222063.db2.gz YKFSXAGKHMBDOP-UHFFFAOYSA-N 2 2 417.189 3.900 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483555534 996247789 /nfs/dbraw/zinc/24/77/89/996247789.db2.gz SRDMIFRWLRKPEW-ISKFKSNPSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555534 996247792 /nfs/dbraw/zinc/24/77/92/996247792.db2.gz SRDMIFRWLRKPEW-ISKFKSNPSA-N 2 2 400.526 3.999 20 0 HHADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475729471 996329270 /nfs/dbraw/zinc/32/92/70/996329270.db2.gz FVGHKUANCVVIBU-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475729471 996329276 /nfs/dbraw/zinc/32/92/76/996329276.db2.gz FVGHKUANCVVIBU-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475729471 996329283 /nfs/dbraw/zinc/32/92/83/996329283.db2.gz FVGHKUANCVVIBU-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475729471 996329291 /nfs/dbraw/zinc/32/92/91/996329291.db2.gz FVGHKUANCVVIBU-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000483766362 996373826 /nfs/dbraw/zinc/37/38/26/996373826.db2.gz ZKXBSTVKGUGNBS-BJESRGMDSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483766362 996373828 /nfs/dbraw/zinc/37/38/28/996373828.db2.gz ZKXBSTVKGUGNBS-BJESRGMDSA-N 2 2 422.658 3.559 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000483888296 996450110 /nfs/dbraw/zinc/45/01/10/996450110.db2.gz CTRMCYKZDFVYLQ-UHFFFAOYSA-N 2 2 402.436 3.525 20 0 HHADLP Cc1c(COC(C)(C)C)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000475951375 996495421 /nfs/dbraw/zinc/49/54/21/996495421.db2.gz DYOWXCLCJVIQBN-UHFFFAOYSA-N 2 2 404.599 3.800 20 0 HHADLP Cc1c(COC(C)(C)C)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475951375 996495423 /nfs/dbraw/zinc/49/54/23/996495423.db2.gz DYOWXCLCJVIQBN-UHFFFAOYSA-N 2 2 404.599 3.800 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000483998220 996513551 /nfs/dbraw/zinc/51/35/51/996513551.db2.gz FMFRCSYFVJUTNI-UHFFFAOYSA-N 2 2 422.480 3.763 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000483998220 996513555 /nfs/dbraw/zinc/51/35/55/996513555.db2.gz FMFRCSYFVJUTNI-UHFFFAOYSA-N 2 2 422.480 3.763 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCOCC1)C2 ZINC000476053891 996569538 /nfs/dbraw/zinc/56/95/38/996569538.db2.gz VRBQWOOUKSUCDU-UYAOXDASSA-N 2 2 424.589 3.654 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCOCC1)CC2 ZINC000476053891 996569543 /nfs/dbraw/zinc/56/95/43/996569543.db2.gz VRBQWOOUKSUCDU-UYAOXDASSA-N 2 2 424.589 3.654 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000476091338 996588929 /nfs/dbraw/zinc/58/89/29/996588929.db2.gz PLXMOLFXYRPXOB-UHFFFAOYSA-N 2 2 402.445 3.510 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000484141401 996594453 /nfs/dbraw/zinc/59/44/53/996594453.db2.gz IRTWMVXTLLEBSO-HRAATJIYSA-N 2 2 419.363 3.745 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000484141401 996594455 /nfs/dbraw/zinc/59/44/55/996594455.db2.gz IRTWMVXTLLEBSO-HRAATJIYSA-N 2 2 419.363 3.745 20 0 HHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CCC2 ZINC000476198082 996670927 /nfs/dbraw/zinc/67/09/27/996670927.db2.gz MDERBGOMTRQXGT-QHCPKHFHSA-N 2 2 400.611 3.855 20 0 HHADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CCC2 ZINC000476198082 996670929 /nfs/dbraw/zinc/67/09/29/996670929.db2.gz MDERBGOMTRQXGT-QHCPKHFHSA-N 2 2 400.611 3.855 20 0 HHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484340852 996714797 /nfs/dbraw/zinc/71/47/97/996714797.db2.gz HRSHZKIMMZUNOP-GOSISDBHSA-N 2 2 407.514 3.863 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000484477589 996797924 /nfs/dbraw/zinc/79/79/24/996797924.db2.gz QGGMPGQXAYEVSW-APWZRJJASA-N 2 2 416.953 3.572 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000484477589 996797931 /nfs/dbraw/zinc/79/79/31/996797931.db2.gz QGGMPGQXAYEVSW-APWZRJJASA-N 2 2 416.953 3.572 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484617918 996951873 /nfs/dbraw/zinc/95/18/73/996951873.db2.gz KWLXPVOLZSOURJ-PQNGQFLHSA-N 2 2 409.574 3.806 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@@H]2CCOC2)c1 ZINC000484617918 996951887 /nfs/dbraw/zinc/95/18/87/996951887.db2.gz KWLXPVOLZSOURJ-PQNGQFLHSA-N 2 2 409.574 3.806 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485139744 997523890 /nfs/dbraw/zinc/52/38/90/997523890.db2.gz PZQLSEKRPWBFGH-NFBKMPQASA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485139744 997523897 /nfs/dbraw/zinc/52/38/97/997523897.db2.gz PZQLSEKRPWBFGH-NFBKMPQASA-N 2 2 417.557 3.641 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000485308608 997716592 /nfs/dbraw/zinc/71/65/92/997716592.db2.gz WXHCYESXBFEJRH-MBJRSGMTSA-N 2 2 421.589 3.580 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000485308608 997716596 /nfs/dbraw/zinc/71/65/96/997716596.db2.gz WXHCYESXBFEJRH-MBJRSGMTSA-N 2 2 421.589 3.580 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)c1ccco1 ZINC000485389430 997817584 /nfs/dbraw/zinc/81/75/84/997817584.db2.gz ZOAFRWSJCOZBQY-IBGZPJMESA-N 2 2 415.925 3.644 20 0 HHADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000477520839 998241343 /nfs/dbraw/zinc/24/13/43/998241343.db2.gz DEVCPOGSIVHUQV-NRFANRHFSA-N 2 2 421.994 3.517 20 0 HHADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3ccc4ncsc4c3)CC2)c1 ZINC000485797223 998267134 /nfs/dbraw/zinc/26/71/34/998267134.db2.gz LGLNYVSFUOFNNJ-GOSISDBHSA-N 2 2 408.571 3.600 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485810330 998277985 /nfs/dbraw/zinc/27/79/85/998277985.db2.gz AEXDBINXDPPHMC-AWEZNQCLSA-N 2 2 402.340 3.524 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000485810330 998277991 /nfs/dbraw/zinc/27/79/91/998277991.db2.gz AEXDBINXDPPHMC-AWEZNQCLSA-N 2 2 402.340 3.524 20 0 HHADLP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000478364339 998918125 /nfs/dbraw/zinc/91/81/25/998918125.db2.gz AEIKYZIEGFVAGR-UHFFFAOYSA-N 2 2 404.986 3.760 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478417250 998946722 /nfs/dbraw/zinc/94/67/22/998946722.db2.gz MLXSYALBFZNMJG-RTBURBONSA-N 2 2 410.965 3.646 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478417250 998946727 /nfs/dbraw/zinc/94/67/27/998946727.db2.gz MLXSYALBFZNMJG-RTBURBONSA-N 2 2 410.965 3.646 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486816145 998952438 /nfs/dbraw/zinc/95/24/38/998952438.db2.gz BDZZYUBHMVIRDV-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1ccc2ccccc2n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486816145 998952444 /nfs/dbraw/zinc/95/24/44/998952444.db2.gz BDZZYUBHMVIRDV-RPBOFIJWSA-N 2 2 422.617 3.963 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000487253707 999113749 /nfs/dbraw/zinc/11/37/49/999113749.db2.gz JMOMWPYDBCBHDO-UHFFFAOYSA-N 2 2 411.571 3.622 20 0 HHADLP C[C@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487932303 999320115 /nfs/dbraw/zinc/32/01/15/999320115.db2.gz RBWPMUNPUIPRFA-RUZDIDTESA-N 2 2 417.557 3.785 20 0 HHADLP C[C@]1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000487932303 999320122 /nfs/dbraw/zinc/32/01/22/999320122.db2.gz RBWPMUNPUIPRFA-RUZDIDTESA-N 2 2 417.557 3.785 20 0 HHADLP Brc1ccccc1-c1noc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000488190446 999408744 /nfs/dbraw/zinc/40/87/44/999408744.db2.gz CLGVRSSWFHKOCB-UHFFFAOYSA-N 2 2 416.323 3.965 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000479437305 999416924 /nfs/dbraw/zinc/41/69/24/999416924.db2.gz MCPOBKYPGANODS-DQEYMECFSA-N 2 2 417.553 3.730 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000479437305 999416931 /nfs/dbraw/zinc/41/69/31/999416931.db2.gz MCPOBKYPGANODS-DQEYMECFSA-N 2 2 417.553 3.730 20 0 HHADLP CN(C(=O)[C@@H]1COc2ccc(Cl)cc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488784421 999606720 /nfs/dbraw/zinc/60/67/20/999606720.db2.gz LNPPVCFGWSSROX-NJDAHSKKSA-N 2 2 419.997 3.612 20 0 HHADLP CN(C(=O)[C@@H]1COc2ccc(Cl)cc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488784421 999606723 /nfs/dbraw/zinc/60/67/23/999606723.db2.gz LNPPVCFGWSSROX-NJDAHSKKSA-N 2 2 419.997 3.612 20 0 HHADLP COc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952033 999661001 /nfs/dbraw/zinc/66/10/01/999661001.db2.gz WBFBZLWQBUXEJI-RDPSFJRHSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)c1 ZINC000479952033 999661002 /nfs/dbraw/zinc/66/10/02/999661002.db2.gz WBFBZLWQBUXEJI-RDPSFJRHSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952033 999661003 /nfs/dbraw/zinc/66/10/03/999661003.db2.gz WBFBZLWQBUXEJI-RDPSFJRHSA-N 2 2 419.569 3.564 20 0 HHADLP COc1cccc(C2=CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000479952033 999661004 /nfs/dbraw/zinc/66/10/04/999661004.db2.gz WBFBZLWQBUXEJI-RDPSFJRHSA-N 2 2 419.569 3.564 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000489058478 999685062 /nfs/dbraw/zinc/68/50/62/999685062.db2.gz DQGHQQQWICGCRC-OFVILXPXSA-N 2 2 421.589 3.525 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058478 999685064 /nfs/dbraw/zinc/68/50/64/999685064.db2.gz DQGHQQQWICGCRC-OFVILXPXSA-N 2 2 421.589 3.525 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccs1 ZINC000489095379 999697655 /nfs/dbraw/zinc/69/76/55/999697655.db2.gz AKJREUCEPDDPAY-QKNQBKEWSA-N 2 2 409.559 3.775 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000489290586 999738283 /nfs/dbraw/zinc/73/82/83/999738283.db2.gz LNVSUSPIAJHVIG-FQEVSTJZSA-N 2 2 406.574 3.593 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000489290586 999738284 /nfs/dbraw/zinc/73/82/84/999738284.db2.gz LNVSUSPIAJHVIG-FQEVSTJZSA-N 2 2 406.574 3.593 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000489332581 999747338 /nfs/dbraw/zinc/74/73/38/999747338.db2.gz TUEWFIHKOSNQTO-SIKLNZKXSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000489332581 999747340 /nfs/dbraw/zinc/74/73/40/999747340.db2.gz TUEWFIHKOSNQTO-SIKLNZKXSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000489392650 999757365 /nfs/dbraw/zinc/75/73/65/999757365.db2.gz PBZBPPJSPIVLNA-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000489392650 999757367 /nfs/dbraw/zinc/75/73/67/999757367.db2.gz PBZBPPJSPIVLNA-SFHVURJKSA-N 2 2 408.546 3.850 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480263449 999758894 /nfs/dbraw/zinc/75/88/94/999758894.db2.gz ZFZMUHSLMMVZIA-VXKWHMMOSA-N 2 2 420.548 3.664 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000480263449 999758896 /nfs/dbraw/zinc/75/88/96/999758896.db2.gz ZFZMUHSLMMVZIA-VXKWHMMOSA-N 2 2 420.548 3.664 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)c3)CC[C@@H]21 ZINC000489399808 999759151 /nfs/dbraw/zinc/75/91/51/999759151.db2.gz ZCOMPNXOGDIYQB-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[NH+](Cc3cccc(C[NH+]4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)c3)CC[C@@H]21 ZINC000489399808 999759153 /nfs/dbraw/zinc/75/91/53/999759153.db2.gz ZCOMPNXOGDIYQB-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399808 999759155 /nfs/dbraw/zinc/75/91/55/999759155.db2.gz ZCOMPNXOGDIYQB-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)c3)CC[C@H]21 ZINC000489399808 999759158 /nfs/dbraw/zinc/75/91/58/999759158.db2.gz ZCOMPNXOGDIYQB-POTDNYQPSA-N 4 2 410.650 3.519 20 0 HHADLP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480286072 999763115 /nfs/dbraw/zinc/76/31/15/999763115.db2.gz ACXOPWNYOCUUSJ-IBGZPJMESA-N 2 2 403.530 3.626 20 0 HHADLP Brc1cccc(N2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000480601342 999837814 /nfs/dbraw/zinc/83/78/14/999837814.db2.gz PBHXNYOSTVGYEW-SFHVURJKSA-N 2 2 401.352 3.681 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602187 999837873 /nfs/dbraw/zinc/83/78/73/999837873.db2.gz AKPKCGNXOXNCBG-NMNUPHIUSA-N 2 2 419.635 3.965 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480602187 999837876 /nfs/dbraw/zinc/83/78/76/999837876.db2.gz AKPKCGNXOXNCBG-NMNUPHIUSA-N 2 2 419.635 3.965 20 0 HHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCCO2 ZINC000480605562 999838862 /nfs/dbraw/zinc/83/88/62/999838862.db2.gz WLAFPWTYQOPXBP-QHCPKHFHSA-N 2 2 407.558 3.695 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4ccc(Cl)cc43)cc2)CC1 ZINC000480613355 999841371 /nfs/dbraw/zinc/84/13/71/999841371.db2.gz JGWSRIWRKPRLHK-NRFANRHFSA-N 2 2 413.949 3.731 20 0 HHADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046383 999884477 /nfs/dbraw/zinc/88/44/77/999884477.db2.gz VPAGYRFYXXQAJX-NZQKXSOJSA-N 2 2 407.558 3.644 20 0 HHADLP COc1ccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491018200 1000034271 /nfs/dbraw/zinc/03/42/71/1000034271.db2.gz HNKDROWVHCFQAK-HXOBKFHXSA-N 2 2 417.981 3.672 20 0 HHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058940 1000040620 /nfs/dbraw/zinc/04/06/20/1000040620.db2.gz JBNOVLXQRRJVRV-LOSJGSFVSA-N 2 2 409.574 3.779 20 0 HHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000491058940 1000040621 /nfs/dbraw/zinc/04/06/21/1000040621.db2.gz JBNOVLXQRRJVRV-LOSJGSFVSA-N 2 2 409.574 3.779 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491058958 1000040716 /nfs/dbraw/zinc/04/07/16/1000040716.db2.gz QCJOGJGNRMJLLP-HXUWFJFHSA-N 2 2 406.574 3.593 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491058958 1000040717 /nfs/dbraw/zinc/04/07/17/1000040717.db2.gz QCJOGJGNRMJLLP-HXUWFJFHSA-N 2 2 406.574 3.593 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491902483 1000100099 /nfs/dbraw/zinc/10/00/99/1000100099.db2.gz RUNJQRDYPVOHNQ-KNQAVFIVSA-N 2 2 418.545 3.843 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491902483 1000100101 /nfs/dbraw/zinc/10/01/01/1000100101.db2.gz RUNJQRDYPVOHNQ-KNQAVFIVSA-N 2 2 418.545 3.843 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491980687 1000103331 /nfs/dbraw/zinc/10/33/31/1000103331.db2.gz RZQAQVUYWYZSNP-LJQANCHMSA-N 2 2 410.566 3.835 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491980687 1000103332 /nfs/dbraw/zinc/10/33/32/1000103332.db2.gz RZQAQVUYWYZSNP-LJQANCHMSA-N 2 2 410.566 3.835 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492017276 1000105023 /nfs/dbraw/zinc/10/50/23/1000105023.db2.gz AJKBEZHWBVZTEW-MOJGAOKDSA-N 2 2 418.545 3.605 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492017276 1000105024 /nfs/dbraw/zinc/10/50/24/1000105024.db2.gz AJKBEZHWBVZTEW-MOJGAOKDSA-N 2 2 418.545 3.605 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000492144327 1000111432 /nfs/dbraw/zinc/11/14/32/1000111432.db2.gz OOPICNXZNSTVBK-PZJWPPBQSA-N 2 2 418.545 3.749 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[N@H+]1Cc1ccccc1 ZINC000492144327 1000111434 /nfs/dbraw/zinc/11/14/34/1000111434.db2.gz OOPICNXZNSTVBK-PZJWPPBQSA-N 2 2 418.545 3.749 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492182243 1000114169 /nfs/dbraw/zinc/11/41/69/1000114169.db2.gz WEPJYBMETDLUQV-UHFFFAOYSA-N 2 2 404.518 3.634 20 0 HHADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000492782711 1000143900 /nfs/dbraw/zinc/14/39/00/1000143900.db2.gz IJVKAXAGXMPXFJ-UHFFFAOYSA-N 2 2 423.424 3.642 20 0 HHADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000492782711 1000143901 /nfs/dbraw/zinc/14/39/01/1000143901.db2.gz IJVKAXAGXMPXFJ-UHFFFAOYSA-N 2 2 423.424 3.642 20 0 HHADLP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494251370 1000389219 /nfs/dbraw/zinc/38/92/19/1000389219.db2.gz PTQZVFSFFPSOOR-VWLOTQADSA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494251370 1000389226 /nfs/dbraw/zinc/38/92/26/1000389226.db2.gz PTQZVFSFFPSOOR-VWLOTQADSA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494251370 1000389231 /nfs/dbraw/zinc/38/92/31/1000389231.db2.gz PTQZVFSFFPSOOR-VWLOTQADSA-N 2 2 418.585 3.570 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494251370 1000389238 /nfs/dbraw/zinc/38/92/38/1000389238.db2.gz PTQZVFSFFPSOOR-VWLOTQADSA-N 2 2 418.585 3.570 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504904452 1000438698 /nfs/dbraw/zinc/43/86/98/1000438698.db2.gz WILGZJCCRHSPOR-JOCHJYFZSA-N 2 2 407.562 3.536 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504904452 1000438703 /nfs/dbraw/zinc/43/87/03/1000438703.db2.gz WILGZJCCRHSPOR-JOCHJYFZSA-N 2 2 407.562 3.536 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494436149 1000490958 /nfs/dbraw/zinc/49/09/58/1000490958.db2.gz PICYPFPROGFZGN-PUHATCMVSA-N 2 2 407.562 3.675 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494436149 1000490962 /nfs/dbraw/zinc/49/09/62/1000490962.db2.gz PICYPFPROGFZGN-PUHATCMVSA-N 2 2 407.562 3.675 20 0 HHADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505369798 1000729055 /nfs/dbraw/zinc/72/90/55/1000729055.db2.gz DFVQBIGWDLDHOS-IPMKNSEASA-N 2 2 408.384 3.575 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000505518611 1000860007 /nfs/dbraw/zinc/86/00/07/1000860007.db2.gz FWTBYLAYXXTFCC-NRFANRHFSA-N 2 2 421.585 3.813 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521725 1000864627 /nfs/dbraw/zinc/86/46/27/1000864627.db2.gz XXMIXPGRYOJDDK-QPPBQGQZSA-N 2 2 421.585 3.813 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000505521725 1000864650 /nfs/dbraw/zinc/86/46/50/1000864650.db2.gz XXMIXPGRYOJDDK-QPPBQGQZSA-N 2 2 421.585 3.813 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126026 1000864681 /nfs/dbraw/zinc/86/46/81/1000864681.db2.gz FBHYFBPGLGDDKV-TVTNDZMWSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126026 1000864712 /nfs/dbraw/zinc/86/47/12/1000864712.db2.gz FBHYFBPGLGDDKV-TVTNDZMWSA-N 2 2 402.945 3.953 20 0 HHADLP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC[NH2+]2)cc1 ZINC000505557181 1000901885 /nfs/dbraw/zinc/90/18/85/1000901885.db2.gz HDMGQFDVLAEEEP-QHCPKHFHSA-N 2 2 409.599 3.585 20 0 HHADLP O=C1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000495186833 1000906711 /nfs/dbraw/zinc/90/67/11/1000906711.db2.gz XJEWWYQSPKQAEH-GOSISDBHSA-N 2 2 405.329 3.752 20 0 HHADLP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH+](C)C ZINC000495196496 1000910095 /nfs/dbraw/zinc/91/00/95/1000910095.db2.gz UUTMDQLBALIHPX-DEOSSOPVSA-N 2 2 408.590 3.529 20 0 HHADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000505578296 1000917395 /nfs/dbraw/zinc/91/73/95/1000917395.db2.gz GDJUMYKUWOZYOF-YLJYHZDGSA-N 2 2 420.395 3.530 20 0 HHADLP Fc1cccc(F)c1-c1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000506013983 1001163394 /nfs/dbraw/zinc/16/33/94/1001163394.db2.gz WFQIEJCUVJGDBJ-UHFFFAOYSA-N 2 2 405.489 3.944 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000506021405 1001168593 /nfs/dbraw/zinc/16/85/93/1001168593.db2.gz IYHSLLZYGNAGOE-UHFFFAOYSA-N 2 2 419.573 3.654 20 0 HHADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022855 1001169605 /nfs/dbraw/zinc/16/96/05/1001169605.db2.gz YHXQNCOOFDNKJR-MRXNPFEDSA-N 2 2 420.529 3.617 20 0 HHADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022855 1001169610 /nfs/dbraw/zinc/16/96/10/1001169610.db2.gz YHXQNCOOFDNKJR-MRXNPFEDSA-N 2 2 420.529 3.617 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022855 1001169614 /nfs/dbraw/zinc/16/96/14/1001169614.db2.gz YHXQNCOOFDNKJR-MRXNPFEDSA-N 2 2 420.529 3.617 20 0 HHADLP CC[NH+]1CCc2nc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)sc2C1 ZINC000506022855 1001169618 /nfs/dbraw/zinc/16/96/18/1001169618.db2.gz YHXQNCOOFDNKJR-MRXNPFEDSA-N 2 2 420.529 3.617 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506048074 1001190319 /nfs/dbraw/zinc/19/03/19/1001190319.db2.gz UIXXBZOXXOHGRC-KRWDZBQOSA-N 2 2 423.985 3.500 20 0 HHADLP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1cccs1 ZINC000506050779 1001191546 /nfs/dbraw/zinc/19/15/46/1001191546.db2.gz FGYSHSMYZXFVHL-QFIPXVFZSA-N 2 2 421.651 3.776 20 0 HHADLP CN(C(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496650950 1001210461 /nfs/dbraw/zinc/21/04/61/1001210461.db2.gz MTNJDKKBLXFUGM-WRURNZQNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496650950 1001210467 /nfs/dbraw/zinc/21/04/67/1001210467.db2.gz MTNJDKKBLXFUGM-WRURNZQNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496650950 1001210475 /nfs/dbraw/zinc/21/04/75/1001210475.db2.gz MTNJDKKBLXFUGM-WRURNZQNSA-N 2 2 422.976 3.710 20 0 HHADLP CN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000496650950 1001210483 /nfs/dbraw/zinc/21/04/83/1001210483.db2.gz MTNJDKKBLXFUGM-WRURNZQNSA-N 2 2 422.976 3.710 20 0 HHADLP COc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000497326740 1001293601 /nfs/dbraw/zinc/29/36/01/1001293601.db2.gz ZEJJAZUZXVUPMQ-UHFFFAOYSA-N 2 2 405.489 3.599 20 0 HHADLP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000506363544 1001378771 /nfs/dbraw/zinc/37/87/71/1001378771.db2.gz OKSFGQMDJWDLTR-PMACEKPBSA-N 2 2 404.599 3.878 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497474964 1001386124 /nfs/dbraw/zinc/38/61/24/1001386124.db2.gz VXGRLXKIHHFQHA-GOTSBHOMSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497474964 1001386127 /nfs/dbraw/zinc/38/61/27/1001386127.db2.gz VXGRLXKIHHFQHA-GOTSBHOMSA-N 2 2 413.512 3.738 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000506668163 1001488313 /nfs/dbraw/zinc/48/83/13/1001488313.db2.gz GMAYOYDKMNXIGX-QHCPKHFHSA-N 2 2 400.611 3.975 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000506668163 1001488314 /nfs/dbraw/zinc/48/83/14/1001488314.db2.gz GMAYOYDKMNXIGX-QHCPKHFHSA-N 2 2 400.611 3.975 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cn2c1 ZINC000497912393 1001562377 /nfs/dbraw/zinc/56/23/77/1001562377.db2.gz JKJXFKAOLJQZQT-UHFFFAOYSA-N 2 2 408.571 3.788 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507057752 1001785877 /nfs/dbraw/zinc/78/58/77/1001785877.db2.gz LJIDZHHILYSERV-ICSRJNTNSA-N 2 2 411.550 3.539 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccccc1 ZINC000507075279 1001793587 /nfs/dbraw/zinc/79/35/87/1001793587.db2.gz VSPPRDPCTCZPNR-OAQYLSRUSA-N 2 2 409.578 3.631 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccccc1 ZINC000507075279 1001793595 /nfs/dbraw/zinc/79/35/95/1001793595.db2.gz VSPPRDPCTCZPNR-OAQYLSRUSA-N 2 2 409.578 3.631 20 0 HHADLP CC(C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCC(C)CC1 ZINC000507099769 1001808064 /nfs/dbraw/zinc/80/80/64/1001808064.db2.gz CHFPDSIGOGCUSD-RBBKRZOGSA-N 2 2 415.626 3.865 20 0 HHADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507100404 1001808623 /nfs/dbraw/zinc/80/86/23/1001808623.db2.gz GILCOMFPCVWUFE-JOCHJYFZSA-N 2 2 421.589 3.557 20 0 HHADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507100404 1001808636 /nfs/dbraw/zinc/80/86/36/1001808636.db2.gz GILCOMFPCVWUFE-JOCHJYFZSA-N 2 2 421.589 3.557 20 0 HHADLP CC[C@@H](c1ccccc1OC)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000498386991 1001816645 /nfs/dbraw/zinc/81/66/45/1001816645.db2.gz RKRZVIXUFGDAKE-NRFANRHFSA-N 2 2 416.610 3.738 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507123851 1001822624 /nfs/dbraw/zinc/82/26/24/1001822624.db2.gz AWBBHEROWFBXNO-LJQANCHMSA-N 2 2 401.599 3.763 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507123851 1001822636 /nfs/dbraw/zinc/82/26/36/1001822636.db2.gz AWBBHEROWFBXNO-LJQANCHMSA-N 2 2 401.599 3.763 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203442 1001891655 /nfs/dbraw/zinc/89/16/55/1001891655.db2.gz JDKPKDRMFKEZFD-FCHUYYIVSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203442 1001891637 /nfs/dbraw/zinc/89/16/37/1001891637.db2.gz JDKPKDRMFKEZFD-FCHUYYIVSA-N 2 2 421.589 3.773 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300569 1001982860 /nfs/dbraw/zinc/98/28/60/1001982860.db2.gz CDJHVMKSLBRHNC-FCEUIQTBSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300569 1001982870 /nfs/dbraw/zinc/98/28/70/1001982870.db2.gz CDJHVMKSLBRHNC-FCEUIQTBSA-N 2 2 421.589 3.944 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577883 1001991108 /nfs/dbraw/zinc/99/11/08/1001991108.db2.gz AIWUCJPHMNJXBK-VJBWXMMDSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498577883 1001991125 /nfs/dbraw/zinc/99/11/25/1001991125.db2.gz AIWUCJPHMNJXBK-VJBWXMMDSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323052 1002001144 /nfs/dbraw/zinc/00/11/44/1002001144.db2.gz YNIHJJAJGZKMAU-VAMGGRTRSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H]1C[C@]1(NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000507600482 1002207938 /nfs/dbraw/zinc/20/79/38/1002207938.db2.gz ROBDNUIMDVTCSD-WZONZLPQSA-N 2 2 419.013 3.825 20 0 HHADLP C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507616149 1002221014 /nfs/dbraw/zinc/22/10/14/1002221014.db2.gz BUGZPOHTFFKUPF-JXFKEZNVSA-N 2 2 402.477 3.936 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000507616150 1002220979 /nfs/dbraw/zinc/22/09/79/1002220979.db2.gz BUGZPOHTFFKUPF-OXJNMPFZSA-N 2 2 402.477 3.936 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534330 /nfs/dbraw/zinc/53/43/30/1002534330.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 3 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534344 /nfs/dbraw/zinc/53/43/44/1002534344.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 3 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534352 /nfs/dbraw/zinc/53/43/52/1002534352.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 2 2 419.617 3.509 20 0 HHADLP CC[NH+]1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534366 /nfs/dbraw/zinc/53/43/66/1002534366.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 2 2 419.617 3.509 20 0 HHADLP CN(C(=O)NC[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508038032 1002560147 /nfs/dbraw/zinc/56/01/47/1002560147.db2.gz MDGSJFUZLSDOQF-SXLOBPIMSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NC[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508038032 1002560158 /nfs/dbraw/zinc/56/01/58/1002560158.db2.gz MDGSJFUZLSDOQF-SXLOBPIMSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NC[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508038030 1002560198 /nfs/dbraw/zinc/56/01/98/1002560198.db2.gz MDGSJFUZLSDOQF-RLLQIKCJSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NC[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508038030 1002560210 /nfs/dbraw/zinc/56/02/10/1002560210.db2.gz MDGSJFUZLSDOQF-RLLQIKCJSA-N 2 2 414.585 3.791 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)cc1 ZINC000499676851 1003032067 /nfs/dbraw/zinc/03/20/67/1003032067.db2.gz FDZIUDGMMGZQOY-KNQAVFIVSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)cc1 ZINC000499676851 1003032082 /nfs/dbraw/zinc/03/20/82/1003032082.db2.gz FDZIUDGMMGZQOY-KNQAVFIVSA-N 2 2 407.558 3.770 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790293 1003125615 /nfs/dbraw/zinc/12/56/15/1003125615.db2.gz CQSZAVWYBSKBMB-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790293 1003125618 /nfs/dbraw/zinc/12/56/18/1003125618.db2.gz CQSZAVWYBSKBMB-SFTDATJTSA-N 2 2 417.557 3.736 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000508852026 1003272509 /nfs/dbraw/zinc/27/25/09/1003272509.db2.gz IQMYPSMDUXLNLS-NQIIRXRSSA-N 2 2 400.592 3.575 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000500103365 1003465248 /nfs/dbraw/zinc/46/52/48/1003465248.db2.gz JKFXXZWHPIABOE-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2NC1=O ZINC000509020130 1003492124 /nfs/dbraw/zinc/49/21/24/1003492124.db2.gz BYUNMOSZARADIB-AUSIDOKSSA-N 2 2 422.573 3.659 20 0 HHADLP COc1cccc([C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000509108924 1003559196 /nfs/dbraw/zinc/55/91/96/1003559196.db2.gz KFFVKEJDGQLCHU-FCHUYYIVSA-N 2 2 415.965 3.905 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304837 1003695632 /nfs/dbraw/zinc/69/56/32/1003695632.db2.gz SBPZWTPCGGYOSM-NHCUHLMSSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)c1coc(C2CCCC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304837 1003695633 /nfs/dbraw/zinc/69/56/33/1003695633.db2.gz SBPZWTPCGGYOSM-NHCUHLMSSA-N 2 2 402.583 3.741 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509304169 1003695667 /nfs/dbraw/zinc/69/56/67/1003695667.db2.gz QIKKMJAJLZASBE-PMACEKPBSA-N 2 2 418.626 3.700 20 0 HHADLP CN(C(=O)CCc1ncc(C(C)(C)C)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509304169 1003695671 /nfs/dbraw/zinc/69/56/71/1003695671.db2.gz QIKKMJAJLZASBE-PMACEKPBSA-N 2 2 418.626 3.700 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000500476143 1003737847 /nfs/dbraw/zinc/73/78/47/1003737847.db2.gz KNEUOEPXRVNQKK-UHFFFAOYSA-N 2 2 409.965 3.828 20 0 HHADLP CC[NH+]1CCC(NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000509355826 1003785998 /nfs/dbraw/zinc/78/59/98/1003785998.db2.gz DYWKGVWDZWYQPA-UHFFFAOYSA-N 2 2 417.557 3.882 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000500687196 1003895695 /nfs/dbraw/zinc/89/56/95/1003895695.db2.gz NFHWAAAIZKHTIW-BGYRXZFFSA-N 2 2 409.578 3.861 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCCNc3cccc[nH+]3)cc2)C1 ZINC000500687196 1003895714 /nfs/dbraw/zinc/89/57/14/1003895714.db2.gz NFHWAAAIZKHTIW-BGYRXZFFSA-N 2 2 409.578 3.861 20 0 HHADLP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000509497981 1003905726 /nfs/dbraw/zinc/90/57/26/1003905726.db2.gz DTOPQAZEZQFLFN-UHFFFAOYSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000511992784 1003940650 /nfs/dbraw/zinc/94/06/50/1003940650.db2.gz VSNRIPVBOICPPB-WCQYABFASA-N 2 2 400.832 3.877 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000509595617 1003968708 /nfs/dbraw/zinc/96/87/08/1003968708.db2.gz IFWZZRYHXHVQDV-LNLFQRSKSA-N 2 2 404.580 3.859 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000509600884 1003971754 /nfs/dbraw/zinc/97/17/54/1003971754.db2.gz JWQGEOONDUZURB-NSHGMRRFSA-N 2 2 413.566 3.831 20 0 HHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512053224 1003984581 /nfs/dbraw/zinc/98/45/81/1003984581.db2.gz PKVLBAFBSYVRKQ-NHCUHLMSSA-N 2 2 422.495 3.749 20 0 HHADLP COc1sc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1Br ZINC000512184617 1004086645 /nfs/dbraw/zinc/08/66/45/1004086645.db2.gz HZWXRVYEUSQWKE-ZIAGYGMSSA-N 2 2 417.413 3.840 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509780289 1004091410 /nfs/dbraw/zinc/09/14/10/1004091410.db2.gz ZXWYMSIDAUJNDK-QFIPXVFZSA-N 2 2 407.562 3.536 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000509790194 1004098754 /nfs/dbraw/zinc/09/87/54/1004098754.db2.gz NSIVHOLEWCCWHX-RBBKRZOGSA-N 2 2 421.589 3.650 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000509790194 1004098763 /nfs/dbraw/zinc/09/87/63/1004098763.db2.gz NSIVHOLEWCCWHX-RBBKRZOGSA-N 2 2 421.589 3.650 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccco1 ZINC000501007489 1004112145 /nfs/dbraw/zinc/11/21/45/1004112145.db2.gz MWONXWILIZJPGG-RTBURBONSA-N 2 2 404.942 3.672 20 0 HHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000501119053 1004217233 /nfs/dbraw/zinc/21/72/33/1004217233.db2.gz WNAMLVCEQUAXCU-ROUUACIJSA-N 2 2 402.970 3.985 20 0 HHADLP CC(C)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCC(C)CC1 ZINC000501162927 1004246263 /nfs/dbraw/zinc/24/62/63/1004246263.db2.gz IMNTZORBQFUPJV-NRFANRHFSA-N 2 2 401.599 3.628 20 0 HHADLP COc1ccc(OC(F)F)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000512378965 1004258649 /nfs/dbraw/zinc/25/86/49/1004258649.db2.gz CDRKLSZVGQIDBR-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP COc1ccc(OC(F)F)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000512378965 1004258656 /nfs/dbraw/zinc/25/86/56/1004258656.db2.gz CDRKLSZVGQIDBR-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000501250152 1004313736 /nfs/dbraw/zinc/31/37/36/1004313736.db2.gz ITANZZRRPMRQQB-NRFANRHFSA-N 2 2 414.619 3.528 20 0 HHADLP C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000501271543 1004325201 /nfs/dbraw/zinc/32/52/01/1004325201.db2.gz ODNOMAOCKJPDDY-FQEVSTJZSA-N 2 2 421.585 3.796 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000501352496 1004362207 /nfs/dbraw/zinc/36/22/07/1004362207.db2.gz UARBPEBMPFVTQE-HSZRJFAPSA-N 2 2 413.537 3.610 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000501352496 1004362213 /nfs/dbraw/zinc/36/22/13/1004362213.db2.gz UARBPEBMPFVTQE-HSZRJFAPSA-N 2 2 413.537 3.610 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000501399085 1004392358 /nfs/dbraw/zinc/39/23/58/1004392358.db2.gz MNULTEDNTPBIPD-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000501399085 1004392369 /nfs/dbraw/zinc/39/23/69/1004392369.db2.gz MNULTEDNTPBIPD-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667439 1004476825 /nfs/dbraw/zinc/47/68/25/1004476825.db2.gz PLMFBLQGYPIZNG-PMACEKPBSA-N 2 2 423.454 3.863 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000512667439 1004476833 /nfs/dbraw/zinc/47/68/33/1004476833.db2.gz PLMFBLQGYPIZNG-PMACEKPBSA-N 2 2 423.454 3.863 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2-c2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000512782015 1004557240 /nfs/dbraw/zinc/55/72/40/1004557240.db2.gz BHKPVOROACAJHS-GBXCKJPGSA-N 2 2 406.578 3.726 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2-c2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000512782015 1004557249 /nfs/dbraw/zinc/55/72/49/1004557249.db2.gz BHKPVOROACAJHS-GBXCKJPGSA-N 2 2 406.578 3.726 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2-c2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000512782015 1004557252 /nfs/dbraw/zinc/55/72/52/1004557252.db2.gz BHKPVOROACAJHS-GBXCKJPGSA-N 2 2 406.578 3.726 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2-c2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000512782015 1004557261 /nfs/dbraw/zinc/55/72/61/1004557261.db2.gz BHKPVOROACAJHS-GBXCKJPGSA-N 2 2 406.578 3.726 20 0 HHADLP C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510511297 1004634284 /nfs/dbraw/zinc/63/42/84/1004634284.db2.gz KYCSDTJLZHYZJH-KXBFYZLASA-N 2 2 408.949 3.566 20 0 HHADLP C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510511297 1004634287 /nfs/dbraw/zinc/63/42/87/1004634287.db2.gz KYCSDTJLZHYZJH-KXBFYZLASA-N 2 2 408.949 3.566 20 0 HHADLP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000501800390 1004742640 /nfs/dbraw/zinc/74/26/40/1004742640.db2.gz DBTCPBSMWJYADF-JOCHJYFZSA-N 2 2 421.589 3.703 20 0 HHADLP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000501800390 1004742646 /nfs/dbraw/zinc/74/26/46/1004742646.db2.gz DBTCPBSMWJYADF-JOCHJYFZSA-N 2 2 421.589 3.703 20 0 HHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000510642294 1004773139 /nfs/dbraw/zinc/77/31/39/1004773139.db2.gz AACALAZHSSKRRP-GOSISDBHSA-N 2 2 405.420 3.763 20 0 HHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000510642294 1004773145 /nfs/dbraw/zinc/77/31/45/1004773145.db2.gz AACALAZHSSKRRP-GOSISDBHSA-N 2 2 405.420 3.763 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846773 1004773494 /nfs/dbraw/zinc/77/34/94/1004773494.db2.gz AFJCCOQSPKYEND-QHCPKHFHSA-N 2 2 417.557 3.610 20 0 HHADLP C[NH+](Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513174593 1004844989 /nfs/dbraw/zinc/84/49/89/1004844989.db2.gz WDROMZYPKLNUPX-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP C[NH+](Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513174593 1004845003 /nfs/dbraw/zinc/84/50/03/1004845003.db2.gz WDROMZYPKLNUPX-ICFBRBJFSA-N 4 2 410.650 3.801 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000511050410 1004997232 /nfs/dbraw/zinc/99/72/32/1004997232.db2.gz XELQCDAPQHCUDQ-UHFFFAOYSA-N 2 2 416.953 3.625 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000511050410 1004997239 /nfs/dbraw/zinc/99/72/39/1004997239.db2.gz XELQCDAPQHCUDQ-UHFFFAOYSA-N 2 2 416.953 3.625 20 0 HHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502464999 1005084090 /nfs/dbraw/zinc/08/40/90/1005084090.db2.gz SYVJOOYPVVHGOH-NZQKXSOJSA-N 2 2 412.574 3.824 20 0 HHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000502464999 1005084097 /nfs/dbraw/zinc/08/40/97/1005084097.db2.gz SYVJOOYPVVHGOH-NZQKXSOJSA-N 2 2 412.574 3.824 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268561 1005099438 /nfs/dbraw/zinc/09/94/38/1005099438.db2.gz WTZYJVHSUWSCTJ-YWGPZVSWSA-N 2 2 410.606 3.680 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268561 1005099442 /nfs/dbraw/zinc/09/94/42/1005099442.db2.gz WTZYJVHSUWSCTJ-YWGPZVSWSA-N 2 2 410.606 3.680 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511283918 1005106930 /nfs/dbraw/zinc/10/69/30/1005106930.db2.gz FWDIIJKIDBCJOB-RCZSKKKRSA-N 2 2 401.620 3.546 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511283918 1005106934 /nfs/dbraw/zinc/10/69/34/1005106934.db2.gz FWDIIJKIDBCJOB-RCZSKKKRSA-N 2 2 401.620 3.546 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502672618 1005172891 /nfs/dbraw/zinc/17/28/91/1005172891.db2.gz VDJSZATUHKOYMV-UHFFFAOYSA-N 2 2 409.578 3.729 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000511454901 1005183756 /nfs/dbraw/zinc/18/37/56/1005183756.db2.gz DXPUBTNSPNFEFN-HSZRJFAPSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000511454901 1005183758 /nfs/dbraw/zinc/18/37/58/1005183758.db2.gz DXPUBTNSPNFEFN-HSZRJFAPSA-N 2 2 417.557 3.972 20 0 HHADLP Cc1cc(NC(=O)CCCCC(=O)Nc2cc(C)c3[nH+]ccn3c2)cn2cc[nH+]c12 ZINC000502830728 1005236329 /nfs/dbraw/zinc/23/63/29/1005236329.db2.gz LXCWRTUAWSXQAM-UHFFFAOYSA-N 2 2 404.474 3.736 20 0 HHADLP CCCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514059528 1005248019 /nfs/dbraw/zinc/24/80/19/1005248019.db2.gz QKGIGCVHGMEXPH-JOCHJYFZSA-N 2 2 409.578 3.970 20 0 HHADLP CCCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514059528 1005248023 /nfs/dbraw/zinc/24/80/23/1005248023.db2.gz QKGIGCVHGMEXPH-JOCHJYFZSA-N 2 2 409.578 3.970 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000502910613 1005270651 /nfs/dbraw/zinc/27/06/51/1005270651.db2.gz LTLHUZWFZVAUIS-LJQANCHMSA-N 2 2 405.546 3.860 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000511733361 1005297848 /nfs/dbraw/zinc/29/78/48/1005297848.db2.gz CSUAXMWIDKWYHB-IBGZPJMESA-N 2 2 408.384 3.575 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000511733361 1005297854 /nfs/dbraw/zinc/29/78/54/1005297854.db2.gz CSUAXMWIDKWYHB-IBGZPJMESA-N 2 2 408.384 3.575 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)C2)cc1 ZINC000511789584 1005329066 /nfs/dbraw/zinc/32/90/66/1005329066.db2.gz XEOIGUKAMVTSFW-QUMGSSFMSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)C2)cc1 ZINC000511789584 1005329067 /nfs/dbraw/zinc/32/90/67/1005329067.db2.gz XEOIGUKAMVTSFW-QUMGSSFMSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)C2)cc1 ZINC000511789584 1005329071 /nfs/dbraw/zinc/32/90/71/1005329071.db2.gz XEOIGUKAMVTSFW-QUMGSSFMSA-N 2 2 406.570 3.782 20 0 HHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)C2)cc1 ZINC000511789584 1005329074 /nfs/dbraw/zinc/32/90/74/1005329074.db2.gz XEOIGUKAMVTSFW-QUMGSSFMSA-N 2 2 406.570 3.782 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514246841 1005332283 /nfs/dbraw/zinc/33/22/83/1005332283.db2.gz RFARVXUHLXKVLK-IBGZPJMESA-N 2 2 423.479 3.998 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000514246841 1005332287 /nfs/dbraw/zinc/33/22/87/1005332287.db2.gz RFARVXUHLXKVLK-IBGZPJMESA-N 2 2 423.479 3.998 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503063908 1005334422 /nfs/dbraw/zinc/33/44/22/1005334422.db2.gz OUSCBUQFGMKQOC-JTDSTZFVSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503063908 1005334424 /nfs/dbraw/zinc/33/44/24/1005334424.db2.gz OUSCBUQFGMKQOC-JTDSTZFVSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065069 1005334855 /nfs/dbraw/zinc/33/48/55/1005334855.db2.gz SWZCVXOEHRZGGL-MPGHIAIKSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000503065069 1005334858 /nfs/dbraw/zinc/33/48/58/1005334858.db2.gz SWZCVXOEHRZGGL-MPGHIAIKSA-N 2 2 410.440 3.542 20 0 HHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000503067989 1005336026 /nfs/dbraw/zinc/33/60/26/1005336026.db2.gz VVPKWYMVMMTEOZ-KRWDZBQOSA-N 2 2 409.509 3.940 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000503078829 1005341317 /nfs/dbraw/zinc/34/13/17/1005341317.db2.gz ABXYFBPUQVJRPZ-YNJKOYDBSA-N 2 2 414.553 3.940 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000503078829 1005341320 /nfs/dbraw/zinc/34/13/20/1005341320.db2.gz ABXYFBPUQVJRPZ-YNJKOYDBSA-N 2 2 414.553 3.940 20 0 HHADLP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503088866 1005344302 /nfs/dbraw/zinc/34/43/02/1005344302.db2.gz VFLVHSIHBPBGRM-UHFFFAOYSA-N 2 2 403.530 3.678 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503379685 1005402877 /nfs/dbraw/zinc/40/28/77/1005402877.db2.gz USZKZSHLQKXRAR-LJQANCHMSA-N 2 2 412.603 3.779 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503379685 1005402880 /nfs/dbraw/zinc/40/28/80/1005402880.db2.gz USZKZSHLQKXRAR-LJQANCHMSA-N 2 2 412.603 3.779 20 0 HHADLP C[C@@H]1C[C@]1([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000503386977 1005405130 /nfs/dbraw/zinc/40/51/30/1005405130.db2.gz VATRAFHVSRUEPX-UZUQRXQVSA-N 2 2 413.949 3.636 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432999 1005987574 /nfs/dbraw/zinc/98/75/74/1005987574.db2.gz KUGBVCBKGGKRMA-NZSAHSFTSA-N 2 2 422.639 3.650 20 0 HHADLP CCO[C@H](C)c1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000514432999 1005987581 /nfs/dbraw/zinc/98/75/81/1005987581.db2.gz KUGBVCBKGGKRMA-NZSAHSFTSA-N 2 2 422.639 3.650 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)c2cccs2)CC1 ZINC000514828139 1006158396 /nfs/dbraw/zinc/15/83/96/1006158396.db2.gz MIVPDZUTRDXBDJ-GOSISDBHSA-N 2 2 414.600 3.966 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccccc3)c3cccc(Cl)c3)cn2)CC1 ZINC000531629414 1006315523 /nfs/dbraw/zinc/31/55/23/1006315523.db2.gz BQJSLNDNTUHXFO-QFIPXVFZSA-N 2 2 407.949 3.761 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358477 1006320518 /nfs/dbraw/zinc/32/05/18/1006320518.db2.gz COMVAKBRWJWYCX-KIZRIRGWSA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358477 1006320528 /nfs/dbraw/zinc/32/05/28/1006320528.db2.gz COMVAKBRWJWYCX-KIZRIRGWSA-N 2 2 419.560 3.864 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358493 1006320581 /nfs/dbraw/zinc/32/05/81/1006320581.db2.gz FKCGCWBEWJHOFX-DHIUTWEWSA-N 2 2 401.595 3.885 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358493 1006320591 /nfs/dbraw/zinc/32/05/91/1006320591.db2.gz FKCGCWBEWJHOFX-DHIUTWEWSA-N 2 2 401.595 3.885 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358437 1006320818 /nfs/dbraw/zinc/32/08/18/1006320818.db2.gz KTXJZPUUZQOFKR-DNQXCXABSA-N 2 2 424.589 3.653 20 0 HHADLP COc1ccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000534358437 1006320828 /nfs/dbraw/zinc/32/08/28/1006320828.db2.gz KTXJZPUUZQOFKR-DNQXCXABSA-N 2 2 424.589 3.653 20 0 HHADLP COc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358933 1006321416 /nfs/dbraw/zinc/32/14/16/1006321416.db2.gz PLSCHSGQINLBHN-XZOQPEGZSA-N 2 2 424.589 3.653 20 0 HHADLP COc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000534358933 1006321429 /nfs/dbraw/zinc/32/14/29/1006321429.db2.gz PLSCHSGQINLBHN-XZOQPEGZSA-N 2 2 424.589 3.653 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358868 1006321527 /nfs/dbraw/zinc/32/15/27/1006321527.db2.gz PPWNMWJSXBTGNI-PMACEKPBSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358868 1006321537 /nfs/dbraw/zinc/32/15/37/1006321537.db2.gz PPWNMWJSXBTGNI-PMACEKPBSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359506 1006323739 /nfs/dbraw/zinc/32/37/39/1006323739.db2.gz JXNXZJVLIJZCRH-GOTSBHOMSA-N 2 2 401.595 3.641 20 0 HHADLP CN(C(=O)CCCOc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359506 1006323751 /nfs/dbraw/zinc/32/37/51/1006323751.db2.gz JXNXZJVLIJZCRH-GOTSBHOMSA-N 2 2 401.595 3.641 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360697 1006324610 /nfs/dbraw/zinc/32/46/10/1006324610.db2.gz PHFFSMDPUSLQEI-GOTSBHOMSA-N 2 2 413.606 3.754 20 0 HHADLP Cc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534360697 1006324612 /nfs/dbraw/zinc/32/46/12/1006324612.db2.gz PHFFSMDPUSLQEI-GOTSBHOMSA-N 2 2 413.606 3.754 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534362367 1006328629 /nfs/dbraw/zinc/32/86/29/1006328629.db2.gz DGDQGYRATRINES-ZWKOTPCHSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534362367 1006328639 /nfs/dbraw/zinc/32/86/39/1006328639.db2.gz DGDQGYRATRINES-ZWKOTPCHSA-N 2 2 406.640 3.850 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375713 1006344422 /nfs/dbraw/zinc/34/44/22/1006344422.db2.gz WSHYWEIJUADXJR-DHIUTWEWSA-N 2 2 400.611 3.782 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534375713 1006344434 /nfs/dbraw/zinc/34/44/34/1006344434.db2.gz WSHYWEIJUADXJR-DHIUTWEWSA-N 2 2 400.611 3.782 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376346 1006344969 /nfs/dbraw/zinc/34/49/69/1006344969.db2.gz CNFKSLLSHNZFGT-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376346 1006344982 /nfs/dbraw/zinc/34/49/82/1006344982.db2.gz CNFKSLLSHNZFGT-LEWJYISDSA-N 2 2 407.002 3.819 20 0 HHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531691334 1006356548 /nfs/dbraw/zinc/35/65/48/1006356548.db2.gz TYTBGRBDTRPIAX-KRWDZBQOSA-N 2 2 400.954 3.731 20 0 HHADLP C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531695377 1006359591 /nfs/dbraw/zinc/35/95/91/1006359591.db2.gz PVEJGQCYBFXTAL-BEFAXECRSA-N 2 2 405.420 3.982 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000531709583 1006369155 /nfs/dbraw/zinc/36/91/55/1006369155.db2.gz XZWPORWOWOKOQF-CJFMBICVSA-N 3 2 403.574 3.820 20 0 HHADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000531942374 1006534323 /nfs/dbraw/zinc/53/43/23/1006534323.db2.gz ZDXOUUCUVUAAJU-IBGZPJMESA-N 2 2 424.570 3.685 20 0 HHADLP COc1ccc2oc([C@H](C)[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(C)c2c1 ZINC000531964263 1006549852 /nfs/dbraw/zinc/54/98/52/1006549852.db2.gz JIZHEEBFRHCSPB-SFHVURJKSA-N 2 2 422.529 3.534 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000531975619 1006555192 /nfs/dbraw/zinc/55/51/92/1006555192.db2.gz DDGYRSTUSUTHPF-HNNXBMFYSA-N 2 2 415.500 3.902 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000538347318 1006614668 /nfs/dbraw/zinc/61/46/68/1006614668.db2.gz HRFLUNLUGAHCLD-UHFFFAOYSA-N 2 2 410.949 3.718 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354533 1006622956 /nfs/dbraw/zinc/62/29/56/1006622956.db2.gz QRAHDWDCDJANHS-OALUTQOASA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354533 1006622963 /nfs/dbraw/zinc/62/29/63/1006622963.db2.gz QRAHDWDCDJANHS-OALUTQOASA-N 2 2 412.500 3.905 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538359352 1006627603 /nfs/dbraw/zinc/62/76/03/1006627603.db2.gz VMVFFYKQVTVTFZ-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(F)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538359352 1006627609 /nfs/dbraw/zinc/62/76/09/1006627609.db2.gz VMVFFYKQVTVTFZ-WOJBJXKFSA-N 2 2 424.536 3.774 20 0 HHADLP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000534699102 1006684109 /nfs/dbraw/zinc/68/41/09/1006684109.db2.gz BMXBOHLOYWIETD-UHFFFAOYSA-N 2 2 405.502 3.534 20 0 HHADLP Ic1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532194696 1006711965 /nfs/dbraw/zinc/71/19/65/1006711965.db2.gz YQXFEBIJLGWWSA-INIZCTEOSA-N 2 2 411.287 3.771 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479676 1006748927 /nfs/dbraw/zinc/74/89/27/1006748927.db2.gz JTDRZMSSHZEGGM-OALUTQOASA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479676 1006748931 /nfs/dbraw/zinc/74/89/31/1006748931.db2.gz JTDRZMSSHZEGGM-OALUTQOASA-N 2 2 407.628 3.897 20 0 HHADLP CC(C)(C)OC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000534869886 1006896565 /nfs/dbraw/zinc/89/65/65/1006896565.db2.gz VUBNORYDZKIOOT-NRFANRHFSA-N 2 2 422.013 3.873 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4ccccc4cc3OC(F)F)CC2)CC1 ZINC000534873116 1006900985 /nfs/dbraw/zinc/90/09/85/1006900985.db2.gz DKYLZUKFVJOWMV-UHFFFAOYSA-N 2 2 417.500 3.730 20 0 HHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000532479114 1006917686 /nfs/dbraw/zinc/91/76/86/1006917686.db2.gz AEMHPSSIDAAVQX-DZGCQCFKSA-N 2 2 424.408 3.988 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000516166487 1006925908 /nfs/dbraw/zinc/92/59/08/1006925908.db2.gz SZVAAOXJYJFWSD-NZQKXSOJSA-N 2 2 417.557 3.609 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000516166487 1006925921 /nfs/dbraw/zinc/92/59/21/1006925921.db2.gz SZVAAOXJYJFWSD-NZQKXSOJSA-N 2 2 417.557 3.609 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Cl ZINC000532497305 1006938727 /nfs/dbraw/zinc/93/87/27/1006938727.db2.gz RUKWJJFCJAPMLD-DYESRHJHSA-N 2 2 417.981 3.997 20 0 HHADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720252 1006994312 /nfs/dbraw/zinc/99/43/12/1006994312.db2.gz PHQDLFPAQQXDES-YPMHNXCESA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720252 1006994319 /nfs/dbraw/zinc/99/43/19/1006994319.db2.gz PHQDLFPAQQXDES-YPMHNXCESA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720252 1006994328 /nfs/dbraw/zinc/99/43/28/1006994328.db2.gz PHQDLFPAQQXDES-YPMHNXCESA-N 2 2 407.299 3.974 20 0 HHADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720252 1006994338 /nfs/dbraw/zinc/99/43/38/1006994338.db2.gz PHQDLFPAQQXDES-YPMHNXCESA-N 2 2 407.299 3.974 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000516330979 1007020470 /nfs/dbraw/zinc/02/04/70/1007020470.db2.gz DGKKUJKYIJOPMN-DHIUTWEWSA-N 2 2 409.599 3.730 20 0 HHADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000538782034 1007063446 /nfs/dbraw/zinc/06/34/46/1007063446.db2.gz LSEIFRVTDVYOEX-FQEVSTJZSA-N 2 2 402.542 3.572 20 0 HHADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000538782034 1007063461 /nfs/dbraw/zinc/06/34/61/1007063461.db2.gz LSEIFRVTDVYOEX-FQEVSTJZSA-N 2 2 402.542 3.572 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795928 1007075880 /nfs/dbraw/zinc/07/58/80/1007075880.db2.gz FCJGMYIYFDIPPC-KUHUBIRLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795928 1007075895 /nfs/dbraw/zinc/07/58/95/1007075895.db2.gz FCJGMYIYFDIPPC-KUHUBIRLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000538795928 1007075907 /nfs/dbraw/zinc/07/59/07/1007075907.db2.gz FCJGMYIYFDIPPC-KUHUBIRLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000538795928 1007075919 /nfs/dbraw/zinc/07/59/19/1007075919.db2.gz FCJGMYIYFDIPPC-KUHUBIRLSA-N 2 2 409.368 3.915 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088345 1007101048 /nfs/dbraw/zinc/10/10/48/1007101048.db2.gz SOCZHHLMIPHDBT-FGZHOGPDSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088345 1007101054 /nfs/dbraw/zinc/10/10/54/1007101054.db2.gz SOCZHHLMIPHDBT-FGZHOGPDSA-N 2 2 400.567 3.690 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093014 1007107379 /nfs/dbraw/zinc/10/73/79/1007107379.db2.gz ARHKTNSPMZQKJO-YFXJRYMSSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093014 1007107384 /nfs/dbraw/zinc/10/73/84/1007107384.db2.gz ARHKTNSPMZQKJO-YFXJRYMSSA-N 2 2 403.586 3.800 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093547 1007108383 /nfs/dbraw/zinc/10/83/83/1007108383.db2.gz DDOHRCOMCBRNNN-YADHBBJMSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093547 1007108390 /nfs/dbraw/zinc/10/83/90/1007108390.db2.gz DDOHRCOMCBRNNN-YADHBBJMSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096601 1007114542 /nfs/dbraw/zinc/11/45/42/1007114542.db2.gz VGUGYANZQQPBEJ-YADHBBJMSA-N 2 2 418.651 3.501 20 0 HHADLP CN(C(=O)CCSCc1ccccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096601 1007114546 /nfs/dbraw/zinc/11/45/46/1007114546.db2.gz VGUGYANZQQPBEJ-YADHBBJMSA-N 2 2 418.651 3.501 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096917 1007114573 /nfs/dbraw/zinc/11/45/73/1007114573.db2.gz YFLWEVOGASTXHF-VXKWHMMOSA-N 2 2 403.636 3.959 20 0 HHADLP CSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096917 1007114576 /nfs/dbraw/zinc/11/45/76/1007114576.db2.gz YFLWEVOGASTXHF-VXKWHMMOSA-N 2 2 403.636 3.959 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121900 1007155182 /nfs/dbraw/zinc/15/51/82/1007155182.db2.gz RPBWJUBEHVNQCI-BHDDXSALSA-N 2 2 401.599 3.511 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000535121900 1007155190 /nfs/dbraw/zinc/15/51/90/1007155190.db2.gz RPBWJUBEHVNQCI-BHDDXSALSA-N 2 2 401.599 3.511 20 0 HHADLP Cc1nc2sc3c(c2c(N2CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC2)n1)CCCC3 ZINC000535154648 1007196839 /nfs/dbraw/zinc/19/68/39/1007196839.db2.gz MJLCGLZCOHAPTA-JWTNVVGKSA-N 2 2 411.619 3.626 20 0 HHADLP Cc1nc2sc3c(c2c(N2CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC2)n1)CCCC3 ZINC000535154648 1007196843 /nfs/dbraw/zinc/19/68/43/1007196843.db2.gz MJLCGLZCOHAPTA-JWTNVVGKSA-N 2 2 411.619 3.626 20 0 HHADLP CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538937004 1007220686 /nfs/dbraw/zinc/22/06/86/1007220686.db2.gz XTLVEXFBRRWQJZ-JOCHJYFZSA-N 2 2 403.530 3.784 20 0 HHADLP CCCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538937004 1007220692 /nfs/dbraw/zinc/22/06/92/1007220692.db2.gz XTLVEXFBRRWQJZ-JOCHJYFZSA-N 2 2 403.530 3.784 20 0 HHADLP O=C(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(Br)c1 ZINC000516682796 1007229578 /nfs/dbraw/zinc/22/95/78/1007229578.db2.gz KQJKSNCFBSBZNR-UHFFFAOYSA-N 2 2 417.282 3.892 20 0 HHADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850854 1007238998 /nfs/dbraw/zinc/23/89/98/1007238998.db2.gz YMLDDTZMVMZCFX-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850854 1007239006 /nfs/dbraw/zinc/23/90/06/1007239006.db2.gz YMLDDTZMVMZCFX-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850854 1007239012 /nfs/dbraw/zinc/23/90/12/1007239012.db2.gz YMLDDTZMVMZCFX-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000532850854 1007239022 /nfs/dbraw/zinc/23/90/22/1007239022.db2.gz YMLDDTZMVMZCFX-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000539070160 1007362492 /nfs/dbraw/zinc/36/24/92/1007362492.db2.gz HKBZEYNUCBNSCE-GOSISDBHSA-N 2 2 412.559 3.754 20 0 HHADLP C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539085971 1007374559 /nfs/dbraw/zinc/37/45/59/1007374559.db2.gz AYERYMNIHOEQRI-NRFANRHFSA-N 2 2 417.557 3.652 20 0 HHADLP c1ccc(CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000539093535 1007383424 /nfs/dbraw/zinc/38/34/24/1007383424.db2.gz NDCHPCAYIJESNR-SANMLTNESA-N 2 2 407.602 3.747 20 0 HHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1F ZINC000517111925 1007425570 /nfs/dbraw/zinc/42/55/70/1007425570.db2.gz ZVHWSRVOXHVFDA-UHFFFAOYSA-N 2 2 418.314 3.520 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)CCC2 ZINC000533089356 1007448396 /nfs/dbraw/zinc/44/83/96/1007448396.db2.gz MXSRKKODXOLURO-GBESFXJTSA-N 2 2 406.530 3.656 20 0 HHADLP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000533089405 1007448580 /nfs/dbraw/zinc/44/85/80/1007448580.db2.gz AEHMHBYJLIVJTD-PZJWPPBQSA-N 2 2 414.509 3.959 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000539236447 1007529601 /nfs/dbraw/zinc/52/96/01/1007529601.db2.gz OGPRCMAEEMEWJV-UHFFFAOYSA-N 2 2 410.484 3.818 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000539236447 1007529608 /nfs/dbraw/zinc/52/96/08/1007529608.db2.gz OGPRCMAEEMEWJV-UHFFFAOYSA-N 2 2 410.484 3.818 20 0 HHADLP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCc4c3c(Br)ccc4F)ccn2)CC1 ZINC000535508264 1007563435 /nfs/dbraw/zinc/56/34/35/1007563435.db2.gz ORULMZKKOXPMGE-SFHVURJKSA-N 2 2 419.342 3.512 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000539325268 1007623981 /nfs/dbraw/zinc/62/39/81/1007623981.db2.gz GOBNJIHOPWUGPH-NRFANRHFSA-N 2 2 414.553 3.744 20 0 HHADLP COc1cccc(NC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000517402036 1007627373 /nfs/dbraw/zinc/62/73/73/1007627373.db2.gz PTHCCXXRDWWBEU-VWLOTQADSA-N 2 2 409.574 3.863 20 0 HHADLP COc1cccc(NC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000517402036 1007627378 /nfs/dbraw/zinc/62/73/78/1007627378.db2.gz PTHCCXXRDWWBEU-VWLOTQADSA-N 2 2 409.574 3.863 20 0 HHADLP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517470830 1007695963 /nfs/dbraw/zinc/69/59/63/1007695963.db2.gz MUFNAFJEQWKJFI-RTBURBONSA-N 2 2 402.583 3.539 20 0 HHADLP O=C(C[NH2+][C@H](c1ccccc1)C1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533386573 1007698489 /nfs/dbraw/zinc/69/84/89/1007698489.db2.gz WNSZMUPXVQHEPK-RUZDIDTESA-N 2 2 407.558 3.978 20 0 HHADLP CC[N@H+](C[C@@H](O)COc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396238 1007708819 /nfs/dbraw/zinc/70/88/19/1007708819.db2.gz PGPBJDVMJDNGDA-OAQYLSRUSA-N 2 2 412.578 3.639 20 0 HHADLP CC[N@@H+](C[C@@H](O)COc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396238 1007708826 /nfs/dbraw/zinc/70/88/26/1007708826.db2.gz PGPBJDVMJDNGDA-OAQYLSRUSA-N 2 2 412.578 3.639 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533484706 1007793330 /nfs/dbraw/zinc/79/33/30/1007793330.db2.gz SAIMWUDNNQCSRL-MRXNPFEDSA-N 2 2 423.542 3.861 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517596291 1007798139 /nfs/dbraw/zinc/79/81/39/1007798139.db2.gz RJIMBYDJAWGTMQ-FQEVSTJZSA-N 2 2 403.958 3.671 20 0 HHADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000517596291 1007798143 /nfs/dbraw/zinc/79/81/43/1007798143.db2.gz RJIMBYDJAWGTMQ-FQEVSTJZSA-N 2 2 403.958 3.671 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533109 1007854374 /nfs/dbraw/zinc/85/43/74/1007854374.db2.gz QYRONYWPJRJGRI-WIYYLYMNSA-N 2 2 415.626 3.894 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533109 1007854384 /nfs/dbraw/zinc/85/43/84/1007854384.db2.gz QYRONYWPJRJGRI-WIYYLYMNSA-N 2 2 415.626 3.894 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849588 1007862613 /nfs/dbraw/zinc/86/26/13/1007862613.db2.gz JKWHGMCJUWVQNC-UEVCKROQSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849588 1007862620 /nfs/dbraw/zinc/86/26/20/1007862620.db2.gz JKWHGMCJUWVQNC-UEVCKROQSA-N 2 2 415.622 3.984 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857977 1007873968 /nfs/dbraw/zinc/87/39/68/1007873968.db2.gz ZRGKNQRXPBYZAP-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857977 1007873981 /nfs/dbraw/zinc/87/39/81/1007873981.db2.gz ZRGKNQRXPBYZAP-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccc(Cn2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(-c3ccc(C)cc3)n2)cc1 ZINC000533563581 1007875787 /nfs/dbraw/zinc/87/57/87/1007875787.db2.gz DYMDAJYTPBVGJU-RUZDIDTESA-N 2 2 406.574 3.617 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865668 1007881191 /nfs/dbraw/zinc/88/11/91/1007881191.db2.gz KRPXQDHFOBJFRI-ADHNFCLRSA-N 2 2 422.658 3.560 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865668 1007881199 /nfs/dbraw/zinc/88/11/99/1007881199.db2.gz KRPXQDHFOBJFRI-ADHNFCLRSA-N 2 2 422.658 3.560 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876406 1007894242 /nfs/dbraw/zinc/89/42/42/1007894242.db2.gz MMIAHMBKFQPIHI-FHWLQOOXSA-N 2 2 407.628 3.573 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000535876406 1007894250 /nfs/dbraw/zinc/89/42/50/1007894250.db2.gz MMIAHMBKFQPIHI-FHWLQOOXSA-N 2 2 407.628 3.573 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876473 1007894952 /nfs/dbraw/zinc/89/49/52/1007894952.db2.gz MCJIQDAPEITPBU-CDNPAEQRSA-N 2 2 418.626 3.888 20 0 HHADLP Cc1ccc(CC[C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000535876473 1007894964 /nfs/dbraw/zinc/89/49/64/1007894964.db2.gz MCJIQDAPEITPBU-CDNPAEQRSA-N 2 2 418.626 3.888 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878701 1007896831 /nfs/dbraw/zinc/89/68/31/1007896831.db2.gz YYVVOMAAPABTNL-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878701 1007896841 /nfs/dbraw/zinc/89/68/41/1007896841.db2.gz YYVVOMAAPABTNL-SFTDATJTSA-N 2 2 424.992 3.958 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590525 1007909906 /nfs/dbraw/zinc/90/99/06/1007909906.db2.gz NBWGILINMYPNCO-OALUTQOASA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590525 1007909915 /nfs/dbraw/zinc/90/99/15/1007909915.db2.gz NBWGILINMYPNCO-OALUTQOASA-N 2 2 407.628 3.897 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000533618360 1007919963 /nfs/dbraw/zinc/91/99/63/1007919963.db2.gz FWRQXCPLPWNMQI-UHFFFAOYSA-N 2 2 419.573 3.684 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000533618360 1007919973 /nfs/dbraw/zinc/91/99/73/1007919973.db2.gz FWRQXCPLPWNMQI-UHFFFAOYSA-N 2 2 419.573 3.684 20 0 HHADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000533618614 1007920361 /nfs/dbraw/zinc/92/03/61/1007920361.db2.gz XAPHUJGQVMERQO-UHFFFAOYSA-N 2 2 409.578 3.782 20 0 HHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000533618614 1007920367 /nfs/dbraw/zinc/92/03/67/1007920367.db2.gz XAPHUJGQVMERQO-UHFFFAOYSA-N 2 2 409.578 3.782 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646540 1007954849 /nfs/dbraw/zinc/95/48/49/1007954849.db2.gz BQNQMTHBFAXRMQ-GOTSBHOMSA-N 2 2 424.589 3.680 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646540 1007954852 /nfs/dbraw/zinc/95/48/52/1007954852.db2.gz BQNQMTHBFAXRMQ-GOTSBHOMSA-N 2 2 424.589 3.680 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647134 1007955285 /nfs/dbraw/zinc/95/52/85/1007955285.db2.gz BNRUJEVJUKCTQS-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647134 1007955293 /nfs/dbraw/zinc/95/52/93/1007955293.db2.gz BNRUJEVJUKCTQS-RPWUZVMVSA-N 2 2 415.622 3.814 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647886 1007957383 /nfs/dbraw/zinc/95/73/83/1007957383.db2.gz NNTCASGVDNGGMX-DHIUTWEWSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1cccc(OCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647886 1007957387 /nfs/dbraw/zinc/95/73/87/1007957387.db2.gz NNTCASGVDNGGMX-DHIUTWEWSA-N 2 2 401.595 3.560 20 0 HHADLP Cc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cccc1-c1ccccn1 ZINC000533648286 1007958720 /nfs/dbraw/zinc/95/87/20/1007958720.db2.gz HEHGMSFXVVTCLV-UHFFFAOYSA-N 2 2 406.574 3.737 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650832 1007963979 /nfs/dbraw/zinc/96/39/79/1007963979.db2.gz IDGJMGQXLMLRTI-FGZHOGPDSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650832 1007963985 /nfs/dbraw/zinc/96/39/85/1007963985.db2.gz IDGJMGQXLMLRTI-FGZHOGPDSA-N 2 2 410.562 3.751 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683800 1008007963 /nfs/dbraw/zinc/00/79/63/1008007963.db2.gz VECUXIMKBVEIBF-CZAAIQMYSA-N 2 2 407.961 3.995 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683800 1008007972 /nfs/dbraw/zinc/00/79/72/1008007972.db2.gz VECUXIMKBVEIBF-CZAAIQMYSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683800 1008007981 /nfs/dbraw/zinc/00/79/81/1008007981.db2.gz VECUXIMKBVEIBF-CZAAIQMYSA-N 2 2 407.961 3.995 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533683800 1008007992 /nfs/dbraw/zinc/00/79/92/1008007992.db2.gz VECUXIMKBVEIBF-CZAAIQMYSA-N 2 2 407.961 3.995 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000535976057 1008015827 /nfs/dbraw/zinc/01/58/27/1008015827.db2.gz QXXFGYJLQRTNFO-OAQYLSRUSA-N 2 2 409.578 3.884 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000535976057 1008015835 /nfs/dbraw/zinc/01/58/35/1008015835.db2.gz QXXFGYJLQRTNFO-OAQYLSRUSA-N 2 2 409.578 3.884 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832564 1008125800 /nfs/dbraw/zinc/12/58/00/1008125800.db2.gz UNOJRJBCGYACPJ-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832564 1008125804 /nfs/dbraw/zinc/12/58/04/1008125804.db2.gz UNOJRJBCGYACPJ-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832564 1008125805 /nfs/dbraw/zinc/12/58/05/1008125805.db2.gz UNOJRJBCGYACPJ-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832564 1008125806 /nfs/dbraw/zinc/12/58/06/1008125806.db2.gz UNOJRJBCGYACPJ-PGRDOPGGSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832561 1008126228 /nfs/dbraw/zinc/12/62/28/1008126228.db2.gz UNOJRJBCGYACPJ-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832561 1008126235 /nfs/dbraw/zinc/12/62/35/1008126235.db2.gz UNOJRJBCGYACPJ-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832561 1008126237 /nfs/dbraw/zinc/12/62/37/1008126237.db2.gz UNOJRJBCGYACPJ-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000539832561 1008126240 /nfs/dbraw/zinc/12/62/40/1008126240.db2.gz UNOJRJBCGYACPJ-AVRDEDQJSA-N 2 2 412.578 3.548 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533840114 1008148686 /nfs/dbraw/zinc/14/86/86/1008148686.db2.gz IFHWVTULPWXFAH-UHFFFAOYSA-N 2 2 402.498 3.795 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000518099801 1008158764 /nfs/dbraw/zinc/15/87/64/1008158764.db2.gz GZIRQASXMFVXRY-SIKLNZKXSA-N 2 2 400.567 3.562 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518268764 1008234039 /nfs/dbraw/zinc/23/40/39/1008234039.db2.gz VBCOYIJBXPIBTC-UHFFFAOYSA-N 2 2 403.574 3.791 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000518269530 1008234234 /nfs/dbraw/zinc/23/42/34/1008234234.db2.gz HOQSCSMVSMKFCL-UHFFFAOYSA-N 2 2 416.569 3.963 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000540151892 1008313097 /nfs/dbraw/zinc/31/30/97/1008313097.db2.gz CQVZIWMZRPGCBY-AVRDEDQJSA-N 2 2 412.559 3.500 20 0 HHADLP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OC ZINC000540151703 1008313153 /nfs/dbraw/zinc/31/31/53/1008313153.db2.gz PAHQDNPGNGBCMQ-RTBURBONSA-N 2 2 413.562 3.992 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153749 1008313721 /nfs/dbraw/zinc/31/37/21/1008313721.db2.gz PFRNTFBJNJNIPY-CPJSRVTESA-N 2 2 409.574 3.777 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153749 1008313724 /nfs/dbraw/zinc/31/37/24/1008313724.db2.gz PFRNTFBJNJNIPY-CPJSRVTESA-N 2 2 409.574 3.777 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc2ccccc21 ZINC000540180931 1008325177 /nfs/dbraw/zinc/32/51/77/1008325177.db2.gz JZDONRBMMZVBTI-TZIWHRDSSA-N 2 2 417.557 3.786 20 0 HHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518548681 1008344473 /nfs/dbraw/zinc/34/44/73/1008344473.db2.gz HNRSQHPZQSUSPO-JOZNFPNDSA-N 3 2 408.590 3.697 20 0 HHADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000518548681 1008344477 /nfs/dbraw/zinc/34/44/77/1008344477.db2.gz HNRSQHPZQSUSPO-JOZNFPNDSA-N 3 2 408.590 3.697 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000540475160 1008446040 /nfs/dbraw/zinc/44/60/40/1008446040.db2.gz FYFTZDZUJBJTRQ-SOLBZPMBSA-N 2 2 403.929 3.909 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000540475160 1008446042 /nfs/dbraw/zinc/44/60/42/1008446042.db2.gz FYFTZDZUJBJTRQ-SOLBZPMBSA-N 2 2 403.929 3.909 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912015 1008470559 /nfs/dbraw/zinc/47/05/59/1008470559.db2.gz BSUTWRPRTSCGPN-OXJNMPFZSA-N 2 2 402.564 3.566 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540544953 1008475375 /nfs/dbraw/zinc/47/53/75/1008475375.db2.gz WWFUSQDLBGRJEF-MOPGFXCFSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1nc(C2CC2)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540544953 1008475379 /nfs/dbraw/zinc/47/53/79/1008475379.db2.gz WWFUSQDLBGRJEF-MOPGFXCFSA-N 2 2 405.612 3.821 20 0 HHADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000548945816 1008531440 /nfs/dbraw/zinc/53/14/40/1008531440.db2.gz GSDQBQQQWPERBC-HXUWFJFHSA-N 2 2 400.526 3.809 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519191204 1008591947 /nfs/dbraw/zinc/59/19/47/1008591947.db2.gz MLPIMBFXAMFWKB-QZTJIDSGSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199332 1008603529 /nfs/dbraw/zinc/60/35/29/1008603529.db2.gz YAVZJJXPFYOHNJ-WOJBJXKFSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199332 1008603536 /nfs/dbraw/zinc/60/35/36/1008603536.db2.gz YAVZJJXPFYOHNJ-WOJBJXKFSA-N 2 2 402.583 3.713 20 0 HHADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC(C(C)(C)C)CC1 ZINC000519227234 1008633136 /nfs/dbraw/zinc/63/31/36/1008633136.db2.gz DNQNZNOAJPCIBG-UHFFFAOYSA-N 2 2 415.622 3.672 20 0 HHADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC(C(C)(C)C)CC1 ZINC000519227234 1008633151 /nfs/dbraw/zinc/63/31/51/1008633151.db2.gz DNQNZNOAJPCIBG-UHFFFAOYSA-N 2 2 415.622 3.672 20 0 HHADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000545560622 1008657127 /nfs/dbraw/zinc/65/71/27/1008657127.db2.gz BXBVCBLUEXBJIF-IBGZPJMESA-N 2 2 420.395 3.673 20 0 HHADLP C[N@H+]1CCCC12CCN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)CC2 ZINC000545560622 1008657134 /nfs/dbraw/zinc/65/71/34/1008657134.db2.gz BXBVCBLUEXBJIF-IBGZPJMESA-N 2 2 420.395 3.673 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106840 1008679925 /nfs/dbraw/zinc/67/99/25/1008679925.db2.gz DGIDTPHRNNJYEK-SFTDATJTSA-N 2 2 404.599 3.987 20 0 HHADLP CCC(CC)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000543106840 1008679934 /nfs/dbraw/zinc/67/99/34/1008679934.db2.gz DGIDTPHRNNJYEK-SFTDATJTSA-N 2 2 404.599 3.987 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543164241 1008739923 /nfs/dbraw/zinc/73/99/23/1008739923.db2.gz XBQIYQPNTVGCBH-IIBYNOLFSA-N 2 2 419.491 3.917 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000519431272 1008810309 /nfs/dbraw/zinc/81/03/09/1008810309.db2.gz ZVSVSMPGAYXGTL-GOSISDBHSA-N 2 2 407.986 3.718 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)c2cccs2)CC1 ZINC000543407255 1009001196 /nfs/dbraw/zinc/00/11/96/1009001196.db2.gz QZZFCYULLNLLKX-GGAORHGYSA-N 2 2 410.562 3.950 20 0 HHADLP COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)C ZINC000543493461 1009082751 /nfs/dbraw/zinc/08/27/51/1009082751.db2.gz SYRAALWJHHQHNX-IBGZPJMESA-N 2 2 416.591 3.543 20 0 HHADLP CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000543502733 1009092376 /nfs/dbraw/zinc/09/23/76/1009092376.db2.gz GFUOSSSWTNNGKN-IRXDYDNUSA-N 2 2 400.592 3.525 20 0 HHADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000543509331 1009098674 /nfs/dbraw/zinc/09/86/74/1009098674.db2.gz JSRXGNDKZJVZIV-SFHVURJKSA-N 2 2 421.010 3.883 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772742 1009341034 /nfs/dbraw/zinc/34/10/34/1009341034.db2.gz CCUCHEGKHARWRK-UZUQRXQVSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772742 1009341048 /nfs/dbraw/zinc/34/10/48/1009341048.db2.gz CCUCHEGKHARWRK-UZUQRXQVSA-N 2 2 423.536 3.522 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543893612 1009474212 /nfs/dbraw/zinc/47/42/12/1009474212.db2.gz BVRDLOQSGALTQD-QZTJIDSGSA-N 2 2 407.921 3.589 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543893612 1009474218 /nfs/dbraw/zinc/47/42/18/1009474218.db2.gz BVRDLOQSGALTQD-QZTJIDSGSA-N 2 2 407.921 3.589 20 0 HHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000543910368 1009497070 /nfs/dbraw/zinc/49/70/70/1009497070.db2.gz YJBKYPILEQMWQW-UHFFFAOYSA-N 2 2 411.594 3.975 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941306 1009534683 /nfs/dbraw/zinc/53/46/83/1009534683.db2.gz ZLFNZVKWKLEBAV-LRQRDZAKSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941306 1009534694 /nfs/dbraw/zinc/53/46/94/1009534694.db2.gz ZLFNZVKWKLEBAV-LRQRDZAKSA-N 2 2 424.511 3.509 20 0 HHADLP COc1ccc([C@H](NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C2CC2)cc1 ZINC000543990156 1009589439 /nfs/dbraw/zinc/58/94/39/1009589439.db2.gz RPOCJYFHVJGXDM-XMMPIXPASA-N 2 2 410.562 3.651 20 0 HHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC3 ZINC000546603297 1009623618 /nfs/dbraw/zinc/62/36/18/1009623618.db2.gz ISMISRKUOIIVRB-HXUWFJFHSA-N 2 2 405.542 3.656 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035233 1009635411 /nfs/dbraw/zinc/63/54/11/1009635411.db2.gz CDSBZAYKFOCNLH-IAGOWNOFSA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035233 1009635422 /nfs/dbraw/zinc/63/54/22/1009635422.db2.gz CDSBZAYKFOCNLH-IAGOWNOFSA-N 2 2 415.475 3.652 20 0 HHADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]21 ZINC000550091188 1009694386 /nfs/dbraw/zinc/69/43/86/1009694386.db2.gz GQYOUDYBEPKSFN-DNQXCXABSA-N 3 2 412.626 3.886 20 0 HHADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]21 ZINC000550091188 1009694417 /nfs/dbraw/zinc/69/44/17/1009694417.db2.gz GQYOUDYBEPKSFN-DNQXCXABSA-N 3 2 412.626 3.886 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000544109993 1009719816 /nfs/dbraw/zinc/71/98/16/1009719816.db2.gz PWWDENWYCGJAGK-UHFFFAOYSA-N 3 2 424.980 3.531 20 0 HHADLP C[C@@H](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000544235698 1009847494 /nfs/dbraw/zinc/84/74/94/1009847494.db2.gz IFVIXEZSGNXYGB-XUVXKRRUSA-N 2 2 402.583 3.682 20 0 HHADLP CN(C(=O)[C@H]1CCC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000550318611 1009859336 /nfs/dbraw/zinc/85/93/36/1009859336.db2.gz BKUDOQQORFMZDD-YTFSRNRJSA-N 2 2 411.590 3.542 20 0 HHADLP CN(C(=O)[C@H]1CCC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000550318611 1009859362 /nfs/dbraw/zinc/85/93/62/1009859362.db2.gz BKUDOQQORFMZDD-YTFSRNRJSA-N 2 2 411.590 3.542 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386043 1010009373 /nfs/dbraw/zinc/00/93/73/1010009373.db2.gz PZUXRGYTXWTFNM-UTKZUKDTSA-N 2 2 409.509 3.704 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000544386043 1010009384 /nfs/dbraw/zinc/00/93/84/1010009384.db2.gz PZUXRGYTXWTFNM-UTKZUKDTSA-N 2 2 409.509 3.704 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550647541 1010080778 /nfs/dbraw/zinc/08/07/78/1010080778.db2.gz OKYYNGBTILGAIB-LOSJGSFVSA-N 2 2 405.586 3.893 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550647541 1010080791 /nfs/dbraw/zinc/08/07/91/1010080791.db2.gz OKYYNGBTILGAIB-LOSJGSFVSA-N 2 2 405.586 3.893 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000550662097 1010089069 /nfs/dbraw/zinc/08/90/69/1010089069.db2.gz QDNIOXUUDQOERG-VQIMIIECSA-N 2 2 407.377 3.725 20 0 HHADLP O[C@@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000550662097 1010089082 /nfs/dbraw/zinc/08/90/82/1010089082.db2.gz QDNIOXUUDQOERG-VQIMIIECSA-N 2 2 407.377 3.725 20 0 HHADLP Cc1csc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000544478416 1010101195 /nfs/dbraw/zinc/10/11/95/1010101195.db2.gz XTMZJMYPUGICCJ-MAUKXSAKSA-N 2 2 406.983 3.709 20 0 HHADLP Cc1csc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000544478418 1010101217 /nfs/dbraw/zinc/10/12/17/1010101217.db2.gz XTMZJMYPUGICCJ-YJBOKZPZSA-N 2 2 406.983 3.709 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)c(C)c1 ZINC000550698971 1010109045 /nfs/dbraw/zinc/10/90/45/1010109045.db2.gz CIRQJWOTLXJHGC-XZOQPEGZSA-N 2 2 424.570 3.556 20 0 HHADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000544511736 1010134483 /nfs/dbraw/zinc/13/44/83/1010134483.db2.gz HPVQZUACNUTBCI-CRAIPNDOSA-N 2 2 406.983 3.709 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117402 1010138942 /nfs/dbraw/zinc/13/89/42/1010138942.db2.gz ODWBUGNQUYPFAS-QZTJIDSGSA-N 2 2 410.389 3.772 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000544558787 1010187900 /nfs/dbraw/zinc/18/79/00/1010187900.db2.gz PBHNOOVBJUNPDH-HSZRJFAPSA-N 2 2 415.541 3.744 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000544558787 1010187905 /nfs/dbraw/zinc/18/79/05/1010187905.db2.gz PBHNOOVBJUNPDH-HSZRJFAPSA-N 2 2 415.541 3.744 20 0 HHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521196749 1010223539 /nfs/dbraw/zinc/22/35/39/1010223539.db2.gz XWMCEFYKBVNDBI-QGZVFWFLSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521196749 1010223549 /nfs/dbraw/zinc/22/35/49/1010223549.db2.gz XWMCEFYKBVNDBI-QGZVFWFLSA-N 2 2 420.479 3.832 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521206260 1010229261 /nfs/dbraw/zinc/22/92/61/1010229261.db2.gz UZRNEAAWOAWIGF-SJBKTWHCSA-N 2 2 403.636 3.651 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000547326750 1010253956 /nfs/dbraw/zinc/25/39/56/1010253956.db2.gz NMBOOZAVVSCBKN-SFTDATJTSA-N 3 2 415.622 3.672 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005624 1010312219 /nfs/dbraw/zinc/31/22/19/1010312219.db2.gz MRXWJOLSVUTPPF-UIOOFZCWSA-N 3 2 406.618 3.619 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005624 1010312233 /nfs/dbraw/zinc/31/22/33/1010312233.db2.gz MRXWJOLSVUTPPF-UIOOFZCWSA-N 3 2 406.618 3.619 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000544826887 1010418526 /nfs/dbraw/zinc/41/85/26/1010418526.db2.gz HXHLLGMYYXVPBW-KRWDZBQOSA-N 2 2 422.411 3.826 20 0 HHADLP CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000544896233 1010473073 /nfs/dbraw/zinc/47/30/73/1010473073.db2.gz PXJBNVDNNOLYSO-UHFFFAOYSA-N 2 2 423.565 3.679 20 0 HHADLP CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000544896233 1010473079 /nfs/dbraw/zinc/47/30/79/1010473079.db2.gz PXJBNVDNNOLYSO-UHFFFAOYSA-N 2 2 423.565 3.679 20 0 HHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000521588450 1010484440 /nfs/dbraw/zinc/48/44/40/1010484440.db2.gz DFQSLCGPGCYXKF-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000521588450 1010484445 /nfs/dbraw/zinc/48/44/45/1010484445.db2.gz DFQSLCGPGCYXKF-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000521588450 1010484453 /nfs/dbraw/zinc/48/44/53/1010484453.db2.gz DFQSLCGPGCYXKF-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000521588450 1010484455 /nfs/dbraw/zinc/48/44/55/1010484455.db2.gz DFQSLCGPGCYXKF-UHFFFAOYSA-N 2 2 409.549 3.833 20 0 HHADLP CC(C)COc1ccc(C(C)(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000521671594 1010539841 /nfs/dbraw/zinc/53/98/41/1010539841.db2.gz HIKVTEHOIZXUGF-UHFFFAOYSA-N 2 2 415.622 3.674 20 0 HHADLP OCC1(Cc2ccccc2)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551450206 1010592794 /nfs/dbraw/zinc/59/27/94/1010592794.db2.gz ZOYXHTFJYHORNV-RUZDIDTESA-N 2 2 408.586 3.595 20 0 HHADLP OCC1(Cc2ccccc2)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551450206 1010592801 /nfs/dbraw/zinc/59/28/01/1010592801.db2.gz ZOYXHTFJYHORNV-RUZDIDTESA-N 2 2 408.586 3.595 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000521819439 1010639769 /nfs/dbraw/zinc/63/97/69/1010639769.db2.gz HTPJNRSPEQNZFH-UHFFFAOYSA-N 2 2 403.574 3.791 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000521836566 1010648285 /nfs/dbraw/zinc/64/82/85/1010648285.db2.gz KFVUUVMGCRAXQO-XMMPIXPASA-N 2 2 423.626 3.866 20 0 HHADLP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521836432 1010648406 /nfs/dbraw/zinc/64/84/06/1010648406.db2.gz ZCFMPTPGFGGRQE-DEOSSOPVSA-N 2 2 423.626 3.600 20 0 HHADLP COc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159709 1010657638 /nfs/dbraw/zinc/65/76/38/1010657638.db2.gz YTKAVUCXMYNOPI-RTWAWAEBSA-N 2 2 409.357 3.942 20 0 HHADLP COc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159709 1010657645 /nfs/dbraw/zinc/65/76/45/1010657645.db2.gz YTKAVUCXMYNOPI-RTWAWAEBSA-N 2 2 409.357 3.942 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753044 1011195584 /nfs/dbraw/zinc/19/55/84/1011195584.db2.gz ZVUWFDOOPPMJGD-SZVBFZGTSA-N 2 2 423.483 3.673 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522753044 1011195588 /nfs/dbraw/zinc/19/55/88/1011195588.db2.gz ZVUWFDOOPPMJGD-SZVBFZGTSA-N 2 2 423.483 3.673 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000540663741 1011318762 /nfs/dbraw/zinc/31/87/62/1011318762.db2.gz AXIHVLRSVGWVAN-PGRDOPGGSA-N 2 2 412.622 3.954 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000540663741 1011318772 /nfs/dbraw/zinc/31/87/72/1011318772.db2.gz AXIHVLRSVGWVAN-PGRDOPGGSA-N 2 2 412.622 3.954 20 0 HHADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536368834 1011577829 /nfs/dbraw/zinc/57/78/29/1011577829.db2.gz GSXVQEXTJLRGEY-QFIPXVFZSA-N 2 2 408.546 3.720 20 0 HHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000540987355 1011620365 /nfs/dbraw/zinc/62/03/65/1011620365.db2.gz NLNHXYWQFOXGDA-QFIPXVFZSA-N 2 2 400.494 3.540 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541110401 1011758574 /nfs/dbraw/zinc/75/85/74/1011758574.db2.gz YYVVEFWQQYUCSQ-MOPGFXCFSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541110401 1011758591 /nfs/dbraw/zinc/75/85/91/1011758591.db2.gz YYVVEFWQQYUCSQ-MOPGFXCFSA-N 2 2 421.948 3.897 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000523290345 1011770031 /nfs/dbraw/zinc/77/00/31/1011770031.db2.gz FPSGCNAIUZZHBM-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000523290345 1011770039 /nfs/dbraw/zinc/77/00/39/1011770039.db2.gz FPSGCNAIUZZHBM-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337882 1011812948 /nfs/dbraw/zinc/81/29/48/1011812948.db2.gz VGNAGZHMIQWLFJ-HKUYNNGSSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337882 1011812963 /nfs/dbraw/zinc/81/29/63/1011812963.db2.gz VGNAGZHMIQWLFJ-HKUYNNGSSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337882 1011812981 /nfs/dbraw/zinc/81/29/81/1011812981.db2.gz VGNAGZHMIQWLFJ-HKUYNNGSSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337882 1011812995 /nfs/dbraw/zinc/81/29/95/1011812995.db2.gz VGNAGZHMIQWLFJ-HKUYNNGSSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337884 1011813831 /nfs/dbraw/zinc/81/38/31/1011813831.db2.gz VGNAGZHMIQWLFJ-MJGOQNOKSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)n2)C1 ZINC000523337884 1011813849 /nfs/dbraw/zinc/81/38/49/1011813849.db2.gz VGNAGZHMIQWLFJ-MJGOQNOKSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337884 1011813861 /nfs/dbraw/zinc/81/38/61/1011813861.db2.gz VGNAGZHMIQWLFJ-MJGOQNOKSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)C1 ZINC000523337884 1011813864 /nfs/dbraw/zinc/81/38/64/1011813864.db2.gz VGNAGZHMIQWLFJ-MJGOQNOKSA-N 2 2 413.591 3.621 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190323 1011863495 /nfs/dbraw/zinc/86/34/95/1011863495.db2.gz KKOFXJHKFQRNNN-NZQKXSOJSA-N 2 2 409.578 3.920 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000541190323 1011863517 /nfs/dbraw/zinc/86/35/17/1011863517.db2.gz KKOFXJHKFQRNNN-NZQKXSOJSA-N 2 2 409.578 3.920 20 0 HHADLP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541194750 1011865707 /nfs/dbraw/zinc/86/57/07/1011865707.db2.gz IOWFVSGIJFWPCL-JTSKRJEESA-N 2 2 414.981 3.901 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251229 1011932773 /nfs/dbraw/zinc/93/27/73/1011932773.db2.gz KLZJTDXPOQHKJI-VQTJNVASSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251229 1011932782 /nfs/dbraw/zinc/93/27/82/1011932782.db2.gz KLZJTDXPOQHKJI-VQTJNVASSA-N 2 2 416.591 3.812 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251973 1011934794 /nfs/dbraw/zinc/93/47/94/1011934794.db2.gz OFOUYGHJAKIWJG-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251973 1011934811 /nfs/dbraw/zinc/93/48/11/1011934811.db2.gz OFOUYGHJAKIWJG-UXHICEINSA-N 2 2 407.986 3.758 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000541305019 1012009373 /nfs/dbraw/zinc/00/93/73/1012009373.db2.gz XJVITSHNOLPWKK-NRFANRHFSA-N 2 2 419.491 3.664 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536804317 1012026172 /nfs/dbraw/zinc/02/61/72/1012026172.db2.gz AFCGSMTYPBFPOZ-GOSISDBHSA-N 2 2 410.543 3.508 20 0 HHADLP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541373808 1012089946 /nfs/dbraw/zinc/08/99/46/1012089946.db2.gz KKBBJRMDFIBGNS-HSZRJFAPSA-N 2 2 416.550 3.951 20 0 HHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000552098427 1012114042 /nfs/dbraw/zinc/11/40/42/1012114042.db2.gz CDCFUCORMDCJKQ-OHRKKDJYSA-N 2 2 415.912 3.676 20 0 HHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1OC(F)F ZINC000552098427 1012114049 /nfs/dbraw/zinc/11/40/49/1012114049.db2.gz CDCFUCORMDCJKQ-OHRKKDJYSA-N 2 2 415.912 3.676 20 0 HHADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000541394614 1012118506 /nfs/dbraw/zinc/11/85/06/1012118506.db2.gz XJKGWMYZPRHZDM-QGZVFWFLSA-N 2 2 422.432 3.728 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000523592020 1012149200 /nfs/dbraw/zinc/14/92/00/1012149200.db2.gz MNIGZIQATIAKHU-VQTJNVASSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000523592020 1012149204 /nfs/dbraw/zinc/14/92/04/1012149204.db2.gz MNIGZIQATIAKHU-VQTJNVASSA-N 2 2 410.562 3.722 20 0 HHADLP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000536911950 1012180275 /nfs/dbraw/zinc/18/02/75/1012180275.db2.gz YWLQIBYKNRHJEG-IBGZPJMESA-N 2 2 410.562 3.696 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000523666875 1012262859 /nfs/dbraw/zinc/26/28/59/1012262859.db2.gz DUUNEDYVVAZFSZ-TXTKFYIRSA-N 2 2 422.573 3.542 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@@H](C)O1 ZINC000523666875 1012262874 /nfs/dbraw/zinc/26/28/74/1012262874.db2.gz DUUNEDYVVAZFSZ-TXTKFYIRSA-N 2 2 422.573 3.542 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000523708136 1012314815 /nfs/dbraw/zinc/31/48/15/1012314815.db2.gz IUBUOSAZSABMHB-MRXNPFEDSA-N 2 2 419.932 3.514 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000523708136 1012314831 /nfs/dbraw/zinc/31/48/31/1012314831.db2.gz IUBUOSAZSABMHB-MRXNPFEDSA-N 2 2 419.932 3.514 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599883 1012394279 /nfs/dbraw/zinc/39/42/79/1012394279.db2.gz OPLUWJOAKZCUTR-JKSUJKDBSA-N 2 2 421.607 3.668 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599883 1012394291 /nfs/dbraw/zinc/39/42/91/1012394291.db2.gz OPLUWJOAKZCUTR-JKSUJKDBSA-N 2 2 421.607 3.668 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523798332 1012458542 /nfs/dbraw/zinc/45/85/42/1012458542.db2.gz LLJPEGPPMLHWNL-UHFFFAOYSA-N 2 2 411.937 3.799 20 0 HHADLP CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000541645129 1012466305 /nfs/dbraw/zinc/46/63/05/1012466305.db2.gz BJRFRFVMJAIULN-HXUWFJFHSA-N 2 2 419.573 3.612 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1c(Cl)cccc1Cl ZINC000552493652 1012517198 /nfs/dbraw/zinc/51/71/98/1012517198.db2.gz CPYZGXZPTUYZIN-CQSZACIVSA-N 2 2 410.276 3.848 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000552520074 1012539076 /nfs/dbraw/zinc/53/90/76/1012539076.db2.gz GTLDRDUWHSXVPB-HXUWFJFHSA-N 2 2 418.532 3.842 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000552520074 1012539095 /nfs/dbraw/zinc/53/90/95/1012539095.db2.gz GTLDRDUWHSXVPB-HXUWFJFHSA-N 2 2 418.532 3.842 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537189676 1012602463 /nfs/dbraw/zinc/60/24/63/1012602463.db2.gz ZTQZPXMKEPDRJF-RPWUZVMVSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537189676 1012602476 /nfs/dbraw/zinc/60/24/76/1012602476.db2.gz ZTQZPXMKEPDRJF-RPWUZVMVSA-N 2 2 410.606 3.896 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000552663853 1012663544 /nfs/dbraw/zinc/66/35/44/1012663544.db2.gz XIYVVPHJUWTPEZ-RTBURBONSA-N 2 2 415.603 3.900 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537243589 1012685514 /nfs/dbraw/zinc/68/55/14/1012685514.db2.gz RFMHAQYDCPBGIW-RTWAWAEBSA-N 2 2 417.598 3.670 20 0 HHADLP CC(C)Oc1ncccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537243589 1012685521 /nfs/dbraw/zinc/68/55/21/1012685521.db2.gz RFMHAQYDCPBGIW-RTWAWAEBSA-N 2 2 417.598 3.670 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808580 1012693061 /nfs/dbraw/zinc/69/30/61/1012693061.db2.gz ZRLRVKAIHVEKKT-DYESRHJHSA-N 2 2 407.562 3.780 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808580 1012693070 /nfs/dbraw/zinc/69/30/70/1012693070.db2.gz ZRLRVKAIHVEKKT-DYESRHJHSA-N 2 2 407.562 3.780 20 0 HHADLP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000537270305 1012723070 /nfs/dbraw/zinc/72/30/70/1012723070.db2.gz DXUBRELGLOBXCS-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000537270305 1012723086 /nfs/dbraw/zinc/72/30/86/1012723086.db2.gz DXUBRELGLOBXCS-UHFFFAOYSA-N 2 2 411.377 3.519 20 0 HHADLP CSC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913395 1012770751 /nfs/dbraw/zinc/77/07/51/1012770751.db2.gz IXACEOLVJDCKIA-MSOLQXFVSA-N 2 2 417.541 3.642 20 0 HHADLP CSC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913395 1012770756 /nfs/dbraw/zinc/77/07/56/1012770756.db2.gz IXACEOLVJDCKIA-MSOLQXFVSA-N 2 2 417.541 3.642 20 0 HHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000537456740 1012952422 /nfs/dbraw/zinc/95/24/22/1012952422.db2.gz XCRJGPIRUIRLQB-LAUBAEHRSA-N 2 2 405.550 3.593 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOCC1)c1ccccc1 ZINC000524233062 1013043086 /nfs/dbraw/zinc/04/30/86/1013043086.db2.gz BNYXJOGACUYHTB-IBGZPJMESA-N 2 2 404.514 3.502 20 0 HHADLP c1cc(Nc2ccc(-c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)cc2)cc[nH+]1 ZINC000904510572 1071783509 /nfs/dbraw/zinc/78/35/09/1071783509.db2.gz ADGDPYDWVAUBIR-UHFFFAOYSA-N 2 2 413.481 3.796 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729684215 1071804491 /nfs/dbraw/zinc/80/44/91/1071804491.db2.gz MASRYYRXUSIAKH-DHIUTWEWSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729684215 1071804507 /nfs/dbraw/zinc/80/45/07/1071804507.db2.gz MASRYYRXUSIAKH-DHIUTWEWSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684987 1071810669 /nfs/dbraw/zinc/81/06/69/1071810669.db2.gz ZOSQQGXZKUQDBP-RPBOFIJWSA-N 2 2 416.569 3.860 20 0 HHADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684987 1071810679 /nfs/dbraw/zinc/81/06/79/1071810679.db2.gz ZOSQQGXZKUQDBP-RPBOFIJWSA-N 2 2 416.569 3.860 20 0 HHADLP C[NH+]1CCN(c2cccc(-c3noc([C@](C)([NH3+])c4cccc5ccccc54)n3)c2)CC1 ZINC001212042104 1071925581 /nfs/dbraw/zinc/92/55/81/1071925581.db2.gz SBHQDYAYHDFKPH-RUZDIDTESA-N 2 2 413.525 3.864 20 0 HHADLP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377857 1072530064 /nfs/dbraw/zinc/53/00/64/1072530064.db2.gz LXTOYSZWUDVWGG-NRFANRHFSA-N 3 2 403.636 3.678 20 0 HHADLP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377857 1072530075 /nfs/dbraw/zinc/53/00/75/1072530075.db2.gz LXTOYSZWUDVWGG-NRFANRHFSA-N 3 2 403.636 3.678 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545474 1072666809 /nfs/dbraw/zinc/66/68/09/1072666809.db2.gz IWYOXBVPJAAYMY-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000571545474 1072666813 /nfs/dbraw/zinc/66/68/13/1072666813.db2.gz IWYOXBVPJAAYMY-WOJBJXKFSA-N 2 2 406.546 3.635 20 0 HHADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccccc1C(F)(F)F ZINC000479404734 1072797663 /nfs/dbraw/zinc/79/76/63/1072797663.db2.gz DWAIXSWRUDBUEB-MRXNPFEDSA-N 2 2 406.433 3.848 20 0 HHADLP COc1cc2c(NCc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2cc1F ZINC000479388322 1072801554 /nfs/dbraw/zinc/80/15/54/1072801554.db2.gz SNIDJFAWCFOWSA-UHFFFAOYSA-N 2 2 411.477 3.706 20 0 HHADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588709533 1073156048 /nfs/dbraw/zinc/15/60/48/1073156048.db2.gz CQLOWXLWYDIHHS-ROUUACIJSA-N 2 2 400.592 4.208 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555197735 1073250828 /nfs/dbraw/zinc/25/08/28/1073250828.db2.gz FGCCZQBLDWRNCJ-IRXDYDNUSA-N 2 2 406.537 3.554 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555197735 1073250838 /nfs/dbraw/zinc/25/08/38/1073250838.db2.gz FGCCZQBLDWRNCJ-IRXDYDNUSA-N 2 2 406.537 3.554 20 0 HHADLP CC[N@H+](Cc1ccnn1CCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555340647 1073353616 /nfs/dbraw/zinc/35/36/16/1073353616.db2.gz LDCPRQYNHRGXBT-UHFFFAOYSA-N 2 2 414.598 3.632 20 0 HHADLP CC[N@@H+](Cc1ccnn1CCCOC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555340647 1073353622 /nfs/dbraw/zinc/35/36/22/1073353622.db2.gz LDCPRQYNHRGXBT-UHFFFAOYSA-N 2 2 414.598 3.632 20 0 HHADLP O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000555344230 1073355119 /nfs/dbraw/zinc/35/51/19/1073355119.db2.gz DOYWTLMAXWSIGJ-SANMLTNESA-N 2 2 414.553 3.673 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430643 1073459684 /nfs/dbraw/zinc/45/96/84/1073459684.db2.gz LCJVMEVTUZCKCQ-UXHICEINSA-N 2 2 421.655 3.745 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430643 1073459688 /nfs/dbraw/zinc/45/96/88/1073459688.db2.gz LCJVMEVTUZCKCQ-UXHICEINSA-N 2 2 421.655 3.745 20 0 HHADLP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000590127100 1073574244 /nfs/dbraw/zinc/57/42/44/1073574244.db2.gz OBWDRKDRKKMDGR-NFBKMPQASA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000590127100 1073574262 /nfs/dbraw/zinc/57/42/62/1073574262.db2.gz OBWDRKDRKKMDGR-NFBKMPQASA-N 2 2 407.558 3.738 20 0 HHADLP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000590846085 1074015195 /nfs/dbraw/zinc/01/51/95/1074015195.db2.gz GWEHWYKEPPQPDF-OALUTQOASA-N 2 2 401.580 3.764 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097206 1074110261 /nfs/dbraw/zinc/11/02/61/1074110261.db2.gz BEJAHIIBWLFAJC-RPBOFIJWSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097206 1074110265 /nfs/dbraw/zinc/11/02/65/1074110265.db2.gz BEJAHIIBWLFAJC-RPBOFIJWSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097206 1074110269 /nfs/dbraw/zinc/11/02/69/1074110269.db2.gz BEJAHIIBWLFAJC-RPBOFIJWSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097206 1074110274 /nfs/dbraw/zinc/11/02/74/1074110274.db2.gz BEJAHIIBWLFAJC-RPBOFIJWSA-N 2 2 422.617 3.565 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432694 1074295187 /nfs/dbraw/zinc/29/51/87/1074295187.db2.gz LNGPRXSIVCNFRI-QUCCMNQESA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCc3sccc3C2)cc1 ZINC000591432694 1074295198 /nfs/dbraw/zinc/29/51/98/1074295198.db2.gz LNGPRXSIVCNFRI-QUCCMNQESA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000591432694 1074295202 /nfs/dbraw/zinc/29/52/02/1074295202.db2.gz LNGPRXSIVCNFRI-QUCCMNQESA-N 2 2 415.628 3.637 20 0 HHADLP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[N@H+]2CCc3sccc3C2)cc1 ZINC000591432694 1074295211 /nfs/dbraw/zinc/29/52/11/1074295211.db2.gz LNGPRXSIVCNFRI-QUCCMNQESA-N 2 2 415.628 3.637 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523469 1074365971 /nfs/dbraw/zinc/36/59/71/1074365971.db2.gz NNAILRCLITVCOH-RBUKOAKNSA-N 2 2 402.583 3.712 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523469 1074365973 /nfs/dbraw/zinc/36/59/73/1074365973.db2.gz NNAILRCLITVCOH-RBUKOAKNSA-N 2 2 402.583 3.712 20 0 HHADLP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000574264432 1075192765 /nfs/dbraw/zinc/19/27/65/1075192765.db2.gz ROVQAJMJFCNBPU-LLHWWHOWSA-N 2 2 411.477 3.583 20 0 HHADLP CCC[N@H+](C)[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000574406370 1075237598 /nfs/dbraw/zinc/23/75/98/1075237598.db2.gz NWTFKYDZGUSECK-HXUWFJFHSA-N 2 2 417.985 3.798 20 0 HHADLP CCC[N@@H+](C)[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000574406370 1075237602 /nfs/dbraw/zinc/23/76/02/1075237602.db2.gz NWTFKYDZGUSECK-HXUWFJFHSA-N 2 2 417.985 3.798 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000594053194 1075249443 /nfs/dbraw/zinc/24/94/43/1075249443.db2.gz AOABXUCJWKBGDP-FQEVSTJZSA-N 2 2 421.463 3.927 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000594053194 1075249448 /nfs/dbraw/zinc/24/94/48/1075249448.db2.gz AOABXUCJWKBGDP-FQEVSTJZSA-N 2 2 421.463 3.927 20 0 HHADLP Cn1cnc2cc(C[N@H+](CCn3cc[nH+]c3)Cc3ccc(Br)o3)ccc21 ZINC000574486725 1075255011 /nfs/dbraw/zinc/25/50/11/1075255011.db2.gz PQOFXFKVYAYOHL-UHFFFAOYSA-N 2 2 414.307 3.828 20 0 HHADLP Cn1cnc2cc(C[N@@H+](CCn3cc[nH+]c3)Cc3ccc(Br)o3)ccc21 ZINC000574486725 1075255015 /nfs/dbraw/zinc/25/50/15/1075255015.db2.gz PQOFXFKVYAYOHL-UHFFFAOYSA-N 2 2 414.307 3.828 20 0 HHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)cc2)c1 ZINC000596691501 1075574476 /nfs/dbraw/zinc/57/44/76/1075574476.db2.gz DXBKZYJXKNAKRQ-FQEVSTJZSA-N 2 2 414.546 3.679 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473652 1075618729 /nfs/dbraw/zinc/61/87/29/1075618729.db2.gz HEPQBXQUJASEDC-CTNGQTDRSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473652 1075618732 /nfs/dbraw/zinc/61/87/32/1075618732.db2.gz HEPQBXQUJASEDC-CTNGQTDRSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473659 1075618863 /nfs/dbraw/zinc/61/88/63/1075618863.db2.gz HEPQBXQUJASEDC-TZIWHRDSSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601473659 1075618865 /nfs/dbraw/zinc/61/88/65/1075618865.db2.gz HEPQBXQUJASEDC-TZIWHRDSSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000601475365 1075619317 /nfs/dbraw/zinc/61/93/17/1075619317.db2.gz YOGVATJGLBOKMB-JOCHJYFZSA-N 2 2 400.611 3.851 20 0 HHADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000601475365 1075619318 /nfs/dbraw/zinc/61/93/18/1075619318.db2.gz YOGVATJGLBOKMB-JOCHJYFZSA-N 2 2 400.611 3.851 20 0 HHADLP CN(C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476896 1075619731 /nfs/dbraw/zinc/61/97/31/1075619731.db2.gz BQCMWZNXXUCKHM-IBGZPJMESA-N 2 2 411.512 3.610 20 0 HHADLP CN(C(=O)C(C)(C)c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476896 1075619734 /nfs/dbraw/zinc/61/97/34/1075619734.db2.gz BQCMWZNXXUCKHM-IBGZPJMESA-N 2 2 411.512 3.610 20 0 HHADLP CN(C(=O)c1ccccc1CCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476963 1075620086 /nfs/dbraw/zinc/62/00/86/1075620086.db2.gz MIECJUJLGUXARA-XMMPIXPASA-N 2 2 405.586 3.712 20 0 HHADLP CN(C(=O)c1ccccc1CCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476963 1075620089 /nfs/dbraw/zinc/62/00/89/1075620089.db2.gz MIECJUJLGUXARA-XMMPIXPASA-N 2 2 405.586 3.712 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476588 1075620159 /nfs/dbraw/zinc/62/01/59/1075620159.db2.gz GGHYSEBBYQKQKF-TZIWHRDSSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000601476588 1075620163 /nfs/dbraw/zinc/62/01/63/1075620163.db2.gz GGHYSEBBYQKQKF-TZIWHRDSSA-N 2 2 401.595 3.513 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601478441 1075620540 /nfs/dbraw/zinc/62/05/40/1075620540.db2.gz MATCZMUBCMLVJR-OAQYLSRUSA-N 2 2 422.573 3.679 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601478441 1075620541 /nfs/dbraw/zinc/62/05/41/1075620541.db2.gz MATCZMUBCMLVJR-OAQYLSRUSA-N 2 2 422.573 3.679 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(SCc4ccccc4)cc3)C2)CC1 ZINC000602204520 1075713562 /nfs/dbraw/zinc/71/35/62/1075713562.db2.gz LNAVNIHREGQPAZ-OAQYLSRUSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(SCc4ccccc4)cc3)C2)CC1 ZINC000602204520 1075713564 /nfs/dbraw/zinc/71/35/64/1075713564.db2.gz LNAVNIHREGQPAZ-OAQYLSRUSA-N 2 2 409.599 3.877 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602197164 1075716527 /nfs/dbraw/zinc/71/65/27/1075716527.db2.gz XYVDCNDAOXHGNN-HSZRJFAPSA-N 2 2 420.601 3.611 20 0 HHADLP CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000602197164 1075716530 /nfs/dbraw/zinc/71/65/30/1075716530.db2.gz XYVDCNDAOXHGNN-HSZRJFAPSA-N 2 2 420.601 3.611 20 0 HHADLP COc1cc2cc[nH+]c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2cc1OC ZINC001164649057 719312002 /nfs/dbraw/zinc/31/20/02/719312002.db2.gz NQDSWXUSMZPJGZ-UHFFFAOYSA-N 2 2 409.534 3.654 20 0 HHADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676905 719565722 /nfs/dbraw/zinc/56/57/22/719565722.db2.gz QQOSXUFQHIRVLD-OAQYLSRUSA-N 2 2 406.534 3.814 20 0 HHADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676905 719565731 /nfs/dbraw/zinc/56/57/31/719565731.db2.gz QQOSXUFQHIRVLD-OAQYLSRUSA-N 2 2 406.534 3.814 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750446 720813200 /nfs/dbraw/zinc/81/32/00/720813200.db2.gz VSTBHNHYIOBXLU-MQSCRBSSSA-N 2 2 416.573 3.823 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]c12 ZINC001164750446 720813201 /nfs/dbraw/zinc/81/32/01/720813201.db2.gz VSTBHNHYIOBXLU-MQSCRBSSSA-N 2 2 416.573 3.823 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757213 720900042 /nfs/dbraw/zinc/90/00/42/720900042.db2.gz UJYPXJCPNLGACL-RDGATRHJSA-N 2 2 422.573 3.549 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757213 720900053 /nfs/dbraw/zinc/90/00/53/720900053.db2.gz UJYPXJCPNLGACL-RDGATRHJSA-N 2 2 422.573 3.549 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029632 721811200 /nfs/dbraw/zinc/81/12/00/721811200.db2.gz ZWJRZTWQBKSXCV-SESVDKBCSA-N 2 2 408.546 3.617 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029632 721811202 /nfs/dbraw/zinc/81/12/02/721811202.db2.gz ZWJRZTWQBKSXCV-SESVDKBCSA-N 2 2 408.546 3.617 20 0 HHADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164938700 721928318 /nfs/dbraw/zinc/92/83/18/721928318.db2.gz DXUBXBWOGDRHKB-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2)cc1 ZINC001164938700 721928319 /nfs/dbraw/zinc/92/83/19/721928319.db2.gz DXUBXBWOGDRHKB-UHFFFAOYSA-N 2 2 421.589 3.647 20 0 HHADLP COc1ccc(CN(C)c2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)cc1 ZINC001165047833 721978110 /nfs/dbraw/zinc/97/81/10/721978110.db2.gz AOTYOOHCJRVALL-OAQYLSRUSA-N 2 2 409.578 3.966 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c12 ZINC001164980631 722102513 /nfs/dbraw/zinc/10/25/13/722102513.db2.gz JTEINPNHRHNBEI-JTHBVZDNSA-N 2 2 402.542 3.974 20 0 HHADLP Cc1cccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c12 ZINC001164980631 722102514 /nfs/dbraw/zinc/10/25/14/722102514.db2.gz JTEINPNHRHNBEI-JTHBVZDNSA-N 2 2 402.542 3.974 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301221268 970816469 /nfs/dbraw/zinc/81/64/69/970816469.db2.gz AGNCQGTUHNIYKB-NJYVYQBISA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301221268 970816478 /nfs/dbraw/zinc/81/64/78/970816478.db2.gz AGNCQGTUHNIYKB-NJYVYQBISA-N 2 2 423.605 3.775 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)CC1 ZINC000301252938 970834507 /nfs/dbraw/zinc/83/45/07/970834507.db2.gz DQBNNPCHZHARPD-UHFFFAOYSA-N 2 2 400.954 3.659 20 0 HHADLP Cc1ccc(-c2noc(CCC[NH+]3CCN(c4nc(C)[nH+]c(C)c4C)CC3)n2)cc1 ZINC000301687787 971027925 /nfs/dbraw/zinc/02/79/25/971027925.db2.gz MJGBFHGSBAOQSZ-UHFFFAOYSA-N 2 2 406.534 3.515 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541532 1013056377 /nfs/dbraw/zinc/05/63/77/1013056377.db2.gz RDFCLSCWYIIREX-LGKPFJOYSA-N 2 2 422.658 3.559 20 0 HHADLP CC(C)C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000537541532 1013056394 /nfs/dbraw/zinc/05/63/94/1013056394.db2.gz RDFCLSCWYIIREX-LGKPFJOYSA-N 2 2 422.658 3.559 20 0 HHADLP CCCc1cc(N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)c2ccccc2[nH+]1 ZINC000301778706 971062333 /nfs/dbraw/zinc/06/23/33/971062333.db2.gz HQVTVXFMIGTDJI-UHFFFAOYSA-N 2 2 419.554 3.579 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302796158 971321892 /nfs/dbraw/zinc/32/18/92/971321892.db2.gz PNEKFBNVBNRJLB-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302796158 971321895 /nfs/dbraw/zinc/32/18/95/971321895.db2.gz PNEKFBNVBNRJLB-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302796158 971321902 /nfs/dbraw/zinc/32/19/02/971321902.db2.gz PNEKFBNVBNRJLB-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302796158 971321906 /nfs/dbraw/zinc/32/19/06/971321906.db2.gz PNEKFBNVBNRJLB-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303160627 971535036 /nfs/dbraw/zinc/53/50/36/971535036.db2.gz HAWPNCHIDBKURY-UHFFFAOYSA-N 2 2 409.578 3.544 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178764 1013117773 /nfs/dbraw/zinc/11/77/73/1013117773.db2.gz JJSCUNAHTIYTGT-RBUKOAKNSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178764 1013117783 /nfs/dbraw/zinc/11/77/83/1013117783.db2.gz JJSCUNAHTIYTGT-RBUKOAKNSA-N 2 2 409.521 3.697 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180167 1013118703 /nfs/dbraw/zinc/11/87/03/1013118703.db2.gz VROYCPCSQDQCQJ-VQTJNVASSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180167 1013118709 /nfs/dbraw/zinc/11/87/09/1013118709.db2.gz VROYCPCSQDQCQJ-VQTJNVASSA-N 2 2 404.624 3.603 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180408 1013120073 /nfs/dbraw/zinc/12/00/73/1013120073.db2.gz UGUCBKILLQAMOX-ZLNRFVROSA-N 2 2 407.643 3.910 20 0 HHADLP CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180408 1013120080 /nfs/dbraw/zinc/12/00/80/1013120080.db2.gz UGUCBKILLQAMOX-ZLNRFVROSA-N 2 2 407.643 3.910 20 0 HHADLP Cc1cc(N2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000303811139 972045514 /nfs/dbraw/zinc/04/55/14/972045514.db2.gz LCPYDGMPRWVCLY-UHFFFAOYSA-N 2 2 421.545 3.679 20 0 HHADLP COc1cc2c(c(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c1)O[C@H](C)C2 ZINC000537622286 1013169516 /nfs/dbraw/zinc/16/95/16/1013169516.db2.gz UVBAUHAVYBPALI-LJQANCHMSA-N 3 2 415.622 3.647 20 0 HHADLP COc1cc2c(c(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c1)O[C@H](C)C2 ZINC000537622286 1013169526 /nfs/dbraw/zinc/16/95/26/1013169526.db2.gz UVBAUHAVYBPALI-LJQANCHMSA-N 3 2 415.622 3.647 20 0 HHADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303890310 972430561 /nfs/dbraw/zinc/43/05/61/972430561.db2.gz KDCDAJOLGPUJHE-HSZRJFAPSA-N 2 2 408.590 3.557 20 0 HHADLP COc1cccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000303890310 972430569 /nfs/dbraw/zinc/43/05/69/972430569.db2.gz KDCDAJOLGPUJHE-HSZRJFAPSA-N 2 2 408.590 3.557 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000006976085 960962825 /nfs/dbraw/zinc/96/28/25/960962825.db2.gz BMUPJDSAXATFRS-UHFFFAOYSA-N 2 2 400.954 3.552 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000006976085 960962829 /nfs/dbraw/zinc/96/28/29/960962829.db2.gz BMUPJDSAXATFRS-UHFFFAOYSA-N 2 2 400.954 3.552 20 0 HHADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCN1c1ccc(OC(F)F)cc1 ZINC000542315032 1013271901 /nfs/dbraw/zinc/27/19/01/1013271901.db2.gz BLVJEJWOJYCTIA-SFHVURJKSA-N 2 2 418.469 3.820 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccsc1 ZINC000542328666 1013284313 /nfs/dbraw/zinc/28/43/13/1013284313.db2.gz ZCINKJIVRFERRN-FXAWDEMLSA-N 2 2 400.592 3.974 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)c2ccccc2)CC1 ZINC000537727743 1013288536 /nfs/dbraw/zinc/28/85/36/1013288536.db2.gz PYZJGUMXRSTDGR-RUZDIDTESA-N 2 2 416.569 3.739 20 0 HHADLP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542467168 1013415543 /nfs/dbraw/zinc/41/55/43/1013415543.db2.gz QBWVOIYJUCYAPV-UHFFFAOYSA-N 3 2 419.577 3.864 20 0 HHADLP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542467168 1013415548 /nfs/dbraw/zinc/41/55/48/1013415548.db2.gz QBWVOIYJUCYAPV-UHFFFAOYSA-N 3 2 419.577 3.864 20 0 HHADLP CCc1ccc([C@@H]2CCCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000553534704 1013431945 /nfs/dbraw/zinc/43/19/45/1013431945.db2.gz ZWQXLBKIWJDKFW-JOCHJYFZSA-N 2 2 412.622 3.697 20 0 HHADLP Nc1nc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc2sc3c(c21)CCCC3 ZINC000537897209 1013480697 /nfs/dbraw/zinc/48/06/97/1013480697.db2.gz OWYHQAZLUBCGIY-UHFFFAOYSA-N 2 2 408.575 3.666 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000050137744 964275259 /nfs/dbraw/zinc/27/52/59/964275259.db2.gz FNOWSFMNGUKFKZ-SFHVURJKSA-N 2 2 416.591 3.822 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000050137744 964275269 /nfs/dbraw/zinc/27/52/69/964275269.db2.gz FNOWSFMNGUKFKZ-SFHVURJKSA-N 2 2 416.591 3.822 20 0 HHADLP Cc1ccc(C)c(OCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050796996 964398680 /nfs/dbraw/zinc/39/86/80/964398680.db2.gz CDDRUSGVYZHETN-UHFFFAOYSA-N 2 2 401.595 3.527 20 0 HHADLP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000026364998 964540620 /nfs/dbraw/zinc/54/06/20/964540620.db2.gz VOFOUZQXWUSZGG-QZTJIDSGSA-N 2 2 415.965 3.528 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000051760723 964689022 /nfs/dbraw/zinc/68/90/22/964689022.db2.gz BMCWTSTYMKKICO-OAQYLSRUSA-N 2 2 404.986 3.745 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000051760727 964689639 /nfs/dbraw/zinc/68/96/39/964689639.db2.gz BMCWTSTYMKKICO-NRFANRHFSA-N 2 2 404.986 3.745 20 0 HHADLP CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761111 964689760 /nfs/dbraw/zinc/68/97/60/964689760.db2.gz SIHRUTJKUPYCPM-BJKOFHAPSA-N 2 2 412.622 3.913 20 0 HHADLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Br)cc1F ZINC000052005487 964767936 /nfs/dbraw/zinc/76/79/36/964767936.db2.gz PLUPSOSFVHULHG-UHFFFAOYSA-N 2 2 412.347 3.867 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713601 964960414 /nfs/dbraw/zinc/96/04/14/964960414.db2.gz FYASXXRMOHFMPD-SFHVURJKSA-N 2 2 403.567 3.619 20 0 HHADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)s1 ZINC000537976416 1013552911 /nfs/dbraw/zinc/55/29/11/1013552911.db2.gz WRTJXQJZBKMKCS-JKSUJKDBSA-N 2 2 421.998 3.738 20 0 HHADLP CCCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000537978490 1013554525 /nfs/dbraw/zinc/55/45/25/1013554525.db2.gz WOUDDQIBVSSRRQ-KNQAVFIVSA-N 2 2 409.578 3.585 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000030906970 965828268 /nfs/dbraw/zinc/82/82/68/965828268.db2.gz RWWCLRRWXDBDNG-NSHDSACASA-N 2 2 418.173 3.794 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000030906970 965828273 /nfs/dbraw/zinc/82/82/73/965828273.db2.gz RWWCLRRWXDBDNG-NSHDSACASA-N 2 2 418.173 3.794 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058783604 965896326 /nfs/dbraw/zinc/89/63/26/965896326.db2.gz BQGMGDAKYPMDBV-HSZRJFAPSA-N 2 2 409.599 3.689 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041142 1013613154 /nfs/dbraw/zinc/61/31/54/1013613154.db2.gz IUXLADVANQVRQX-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041142 1013613158 /nfs/dbraw/zinc/61/31/58/1013613158.db2.gz IUXLADVANQVRQX-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041142 1013613159 /nfs/dbraw/zinc/61/31/59/1013613159.db2.gz IUXLADVANQVRQX-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041142 1013613163 /nfs/dbraw/zinc/61/31/63/1013613163.db2.gz IUXLADVANQVRQX-YSGRDPCXSA-N 2 2 410.965 3.646 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1C ZINC000061788850 966553164 /nfs/dbraw/zinc/55/31/64/966553164.db2.gz RXUYHXYDIFTFSI-UHFFFAOYSA-N 2 2 414.575 3.920 20 0 HHADLP O=C(NCCn1cc[nH+]c1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000043310599 966949436 /nfs/dbraw/zinc/94/94/36/966949436.db2.gz CGSXZXOYLIOVOK-UHFFFAOYSA-N 2 2 403.530 3.645 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000043547115 966996449 /nfs/dbraw/zinc/99/64/49/966996449.db2.gz KIBDGTIOIJVREL-BEFAXECRSA-N 2 2 419.570 3.939 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)n2)C1 ZINC000043547115 966996456 /nfs/dbraw/zinc/99/64/56/966996456.db2.gz KIBDGTIOIJVREL-BEFAXECRSA-N 2 2 419.570 3.939 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000538132837 1013695378 /nfs/dbraw/zinc/69/53/78/1013695378.db2.gz BKZGEEYGQUGDPX-UHFFFAOYSA-N 2 2 412.365 3.501 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000538132837 1013695384 /nfs/dbraw/zinc/69/53/84/1013695384.db2.gz BKZGEEYGQUGDPX-UHFFFAOYSA-N 2 2 412.365 3.501 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C[N@H+](C)CC)c3)CC2)cc1 ZINC000064229618 967095423 /nfs/dbraw/zinc/09/54/23/967095423.db2.gz DNRXMHHXIFDJEP-UHFFFAOYSA-N 2 2 424.589 3.564 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C[N@@H+](C)CC)c3)CC2)cc1 ZINC000064229618 967095433 /nfs/dbraw/zinc/09/54/33/967095433.db2.gz DNRXMHHXIFDJEP-UHFFFAOYSA-N 2 2 424.589 3.564 20 0 HHADLP Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000065254038 967417317 /nfs/dbraw/zinc/41/73/17/967417317.db2.gz USIXIHTVHRMHIN-DEOSSOPVSA-N 2 2 421.585 3.720 20 0 HHADLP Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000065254038 967417321 /nfs/dbraw/zinc/41/73/21/967417321.db2.gz USIXIHTVHRMHIN-DEOSSOPVSA-N 2 2 421.585 3.720 20 0 HHADLP CC(C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045718090 967541316 /nfs/dbraw/zinc/54/13/16/967541316.db2.gz WHIAEBAIQLGVPX-XMMPIXPASA-N 2 2 402.542 3.744 20 0 HHADLP CC(C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000045718090 967541324 /nfs/dbraw/zinc/54/13/24/967541324.db2.gz WHIAEBAIQLGVPX-XMMPIXPASA-N 2 2 402.542 3.744 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542890867 1013736357 /nfs/dbraw/zinc/73/63/57/1013736357.db2.gz HBKLXFGVMMRGEJ-JWQCQUIFSA-N 2 2 422.617 3.946 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542890867 1013736364 /nfs/dbraw/zinc/73/63/64/1013736364.db2.gz HBKLXFGVMMRGEJ-JWQCQUIFSA-N 2 2 422.617 3.946 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542890868 1013736436 /nfs/dbraw/zinc/73/64/36/1013736436.db2.gz HBKLXFGVMMRGEJ-LOSJGSFVSA-N 2 2 422.617 3.946 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542890868 1013736445 /nfs/dbraw/zinc/73/64/45/1013736445.db2.gz HBKLXFGVMMRGEJ-LOSJGSFVSA-N 2 2 422.617 3.946 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)c2)CC1 ZINC000046467485 967813694 /nfs/dbraw/zinc/81/36/94/967813694.db2.gz PRTNQJXFUYGJEV-OAQYLSRUSA-N 2 2 412.582 3.570 20 0 HHADLP CC(C)(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000046921226 968009453 /nfs/dbraw/zinc/00/94/53/968009453.db2.gz DVWFYBGDSUSMGQ-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP CC(C)(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000046921226 968009460 /nfs/dbraw/zinc/00/94/60/968009460.db2.gz DVWFYBGDSUSMGQ-UHFFFAOYSA-N 2 2 417.557 3.568 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000538211989 1013765431 /nfs/dbraw/zinc/76/54/31/1013765431.db2.gz PMAPUNSQBWIDOG-RTBURBONSA-N 2 2 422.552 3.960 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000047778053 968309477 /nfs/dbraw/zinc/30/94/77/968309477.db2.gz GXCZALGWKAGMOK-PKOBYXMFSA-N 2 2 416.591 3.614 20 0 HHADLP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000047778053 968309484 /nfs/dbraw/zinc/30/94/84/968309484.db2.gz GXCZALGWKAGMOK-PKOBYXMFSA-N 2 2 416.591 3.614 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949388 968376173 /nfs/dbraw/zinc/37/61/73/968376173.db2.gz ZVTPBMBWBAXTJL-HSZRJFAPSA-N 2 2 417.557 3.610 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000096626750 969049457 /nfs/dbraw/zinc/04/94/57/969049457.db2.gz IAMOCBRNMOLJIN-OAQYLSRUSA-N 2 2 411.521 3.509 20 0 HHADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000096626750 969049466 /nfs/dbraw/zinc/04/94/66/969049466.db2.gz IAMOCBRNMOLJIN-OAQYLSRUSA-N 2 2 411.521 3.509 20 0 HHADLP COCC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000554220848 1013859987 /nfs/dbraw/zinc/85/99/87/1013859987.db2.gz FWVQUYGJTGQVLF-FCHUYYIVSA-N 2 2 409.574 3.601 20 0 HHADLP COCC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000554220848 1013859996 /nfs/dbraw/zinc/85/99/96/1013859996.db2.gz FWVQUYGJTGQVLF-FCHUYYIVSA-N 2 2 409.574 3.601 20 0 HHADLP Cc1nc(-c2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)cs1 ZINC000215988853 970059479 /nfs/dbraw/zinc/05/94/79/970059479.db2.gz SBNBHYUSRDMOLK-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000237284922 970255113 /nfs/dbraw/zinc/25/51/13/970255113.db2.gz LUHPSKWPPIKEQQ-XMSQKQJNSA-N 2 2 411.546 3.848 20 0 HHADLP COc1cc2c(cc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000237297587 970257766 /nfs/dbraw/zinc/25/77/66/970257766.db2.gz DYXPCMDUGKCQIC-INIZCTEOSA-N 2 2 415.965 3.714 20 0 HHADLP CSc1ccc([C@H](CNC(=O)C2CC[NH2+]CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237440967 970289435 /nfs/dbraw/zinc/28/94/35/970289435.db2.gz QUROIYMCAASVDK-FQEVSTJZSA-N 2 2 415.628 3.685 20 0 HHADLP CSc1ccc([C@H](CNC(=O)C2CC[NH2+]CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237440967 970289439 /nfs/dbraw/zinc/28/94/39/970289439.db2.gz QUROIYMCAASVDK-FQEVSTJZSA-N 2 2 415.628 3.685 20 0 HHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237612837 970321924 /nfs/dbraw/zinc/32/19/24/970321924.db2.gz BWMIVJLWQYEBPG-CALCHBBNSA-N 2 2 404.986 3.791 20 0 HHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237612837 970321931 /nfs/dbraw/zinc/32/19/31/970321931.db2.gz BWMIVJLWQYEBPG-CALCHBBNSA-N 2 2 404.986 3.791 20 0 HHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000237672700 970336106 /nfs/dbraw/zinc/33/61/06/970336106.db2.gz FIMVHILSMQBMOX-UHFFFAOYSA-N 2 2 407.562 3.666 20 0 HHADLP [NH3+][C@@H](C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000237866214 970384823 /nfs/dbraw/zinc/38/48/23/970384823.db2.gz KMLJXUBFTPLMGZ-RUZDIDTESA-N 2 2 414.553 3.643 20 0 HHADLP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000237866214 970384839 /nfs/dbraw/zinc/38/48/39/970384839.db2.gz KMLJXUBFTPLMGZ-RUZDIDTESA-N 2 2 414.553 3.643 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000554678880 1014010016 /nfs/dbraw/zinc/01/00/16/1014010016.db2.gz NVTKVJZSPMAJLK-IBGZPJMESA-N 2 2 407.562 3.604 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390666137 972827424 /nfs/dbraw/zinc/82/74/24/972827424.db2.gz MVQQJLQZJAMJDO-BDTNDASRSA-N 2 2 417.594 3.561 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390666137 972827438 /nfs/dbraw/zinc/82/74/38/972827438.db2.gz MVQQJLQZJAMJDO-BDTNDASRSA-N 2 2 417.594 3.561 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977421 972873373 /nfs/dbraw/zinc/87/33/73/972873373.db2.gz LDQIPWPDIYNGEP-OXQOHEQNSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000397977421 972873381 /nfs/dbraw/zinc/87/33/81/972873381.db2.gz LDQIPWPDIYNGEP-OXQOHEQNSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959160 972874068 /nfs/dbraw/zinc/87/40/68/972874068.db2.gz CYOSFOBWZKSBRT-JXFKEZNVSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959160 972874078 /nfs/dbraw/zinc/87/40/78/972874078.db2.gz CYOSFOBWZKSBRT-JXFKEZNVSA-N 2 2 416.363 3.888 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000409473910 972922160 /nfs/dbraw/zinc/92/21/60/972922160.db2.gz BTWPNCDJQCWFQT-HXUWFJFHSA-N 2 2 415.538 3.955 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000554845469 1014072431 /nfs/dbraw/zinc/07/24/31/1014072431.db2.gz SFXGNOPQXCUOIX-FQEVSTJZSA-N 2 2 400.592 3.535 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1nc(C)cs1 ZINC000554845469 1014072435 /nfs/dbraw/zinc/07/24/35/1014072435.db2.gz SFXGNOPQXCUOIX-FQEVSTJZSA-N 2 2 400.592 3.535 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000554840873 1014070223 /nfs/dbraw/zinc/07/02/23/1014070223.db2.gz GANMDSULOUDBMJ-LJQANCHMSA-N 2 2 409.559 3.520 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000554840873 1014070229 /nfs/dbraw/zinc/07/02/29/1014070229.db2.gz GANMDSULOUDBMJ-LJQANCHMSA-N 2 2 409.559 3.520 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000409575692 973025295 /nfs/dbraw/zinc/02/52/95/973025295.db2.gz LVDAKSTXGKODOG-OAQYLSRUSA-N 2 2 421.520 3.648 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000409575692 973025305 /nfs/dbraw/zinc/02/53/05/973025305.db2.gz LVDAKSTXGKODOG-OAQYLSRUSA-N 2 2 421.520 3.648 20 0 HHADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628891 973075328 /nfs/dbraw/zinc/07/53/28/973075328.db2.gz DMBVCSYLFLIVET-PZJWPPBQSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409628891 973075341 /nfs/dbraw/zinc/07/53/41/973075341.db2.gz DMBVCSYLFLIVET-PZJWPPBQSA-N 2 2 413.610 3.906 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[C@H]1c1ccccc1 ZINC000409732403 973207615 /nfs/dbraw/zinc/20/76/15/973207615.db2.gz DWUIQQHRJWPLFV-ILWGZMRPSA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[C@H]1c1ccccc1 ZINC000409732403 973207618 /nfs/dbraw/zinc/20/76/18/973207618.db2.gz DWUIQQHRJWPLFV-ILWGZMRPSA-N 2 2 407.562 3.554 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760097 973236531 /nfs/dbraw/zinc/23/65/31/973236531.db2.gz JBXLDBYNVDMBFP-PMACEKPBSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760097 973236543 /nfs/dbraw/zinc/23/65/43/973236543.db2.gz JBXLDBYNVDMBFP-PMACEKPBSA-N 2 2 401.599 3.619 20 0 HHADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000425979228 974089346 /nfs/dbraw/zinc/08/93/46/974089346.db2.gz KADRZCPXZDAISC-QPTUXGOLSA-N 2 2 417.557 3.584 20 0 HHADLP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997524 974112139 /nfs/dbraw/zinc/11/21/39/974112139.db2.gz XRQZNUBSVKQJDA-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425997524 974112145 /nfs/dbraw/zinc/11/21/45/974112145.db2.gz XRQZNUBSVKQJDA-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425997524 974112149 /nfs/dbraw/zinc/11/21/49/974112149.db2.gz XRQZNUBSVKQJDA-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccc(OCc2cccnc2)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425997524 974112155 /nfs/dbraw/zinc/11/21/55/974112155.db2.gz XRQZNUBSVKQJDA-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426023000 974143006 /nfs/dbraw/zinc/14/30/06/974143006.db2.gz PBZQHLXEBXKURV-YTFSRNRJSA-N 2 2 409.578 3.921 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC000426030937 974152486 /nfs/dbraw/zinc/15/24/86/974152486.db2.gz WCRGCWLOHNDOTQ-ZLNRFVROSA-N 2 2 421.520 3.853 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426047399 974168780 /nfs/dbraw/zinc/16/87/80/974168780.db2.gz GEKSKRLYRMZALN-VNHKHXMHSA-N 2 2 409.578 3.779 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426047399 974168784 /nfs/dbraw/zinc/16/87/84/974168784.db2.gz GEKSKRLYRMZALN-VNHKHXMHSA-N 2 2 409.578 3.779 20 0 HHADLP Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)cc1 ZINC000426060031 974182138 /nfs/dbraw/zinc/18/21/38/974182138.db2.gz JJESODFLXRVCCE-JTHBVZDNSA-N 2 2 412.622 3.833 20 0 HHADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000426771043 974647987 /nfs/dbraw/zinc/64/79/87/974647987.db2.gz YLSYHPNXJHDNHZ-QZTJIDSGSA-N 2 2 407.986 3.798 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426810550 974677362 /nfs/dbraw/zinc/67/73/62/974677362.db2.gz ITGHRXSJYHTZMU-BGYRXZFFSA-N 2 2 412.578 3.566 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426810550 974677366 /nfs/dbraw/zinc/67/73/66/974677366.db2.gz ITGHRXSJYHTZMU-BGYRXZFFSA-N 2 2 412.578 3.566 20 0 HHADLP Cc1cc(Br)cn2cc(CCNC(=O)C3(C[NH+](C)C)CCCCC3)[nH+]c12 ZINC000427454241 975126849 /nfs/dbraw/zinc/12/68/49/975126849.db2.gz XRQUEYWOQLMQEC-UHFFFAOYSA-N 2 2 421.383 3.576 20 0 HHADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CCC2)cc1 ZINC000427699345 975243577 /nfs/dbraw/zinc/24/35/77/975243577.db2.gz UIKRDTAYQQEPTK-RDGATRHJSA-N 2 2 421.589 3.721 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ncc(Br)cc1F ZINC000427849665 975320480 /nfs/dbraw/zinc/32/04/80/975320480.db2.gz OASDBQMNFHUSBD-KDOFPFPSSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ncc(Br)cc1F ZINC000427849665 975320486 /nfs/dbraw/zinc/32/04/86/975320486.db2.gz OASDBQMNFHUSBD-KDOFPFPSSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ncc(Br)cc1F ZINC000427849668 975320544 /nfs/dbraw/zinc/32/05/44/975320544.db2.gz OASDBQMNFHUSBD-RDTXWAMCSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ncc(Br)cc1F ZINC000427849668 975320551 /nfs/dbraw/zinc/32/05/51/975320551.db2.gz OASDBQMNFHUSBD-RDTXWAMCSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ncc(Br)cc1F ZINC000427859066 975324663 /nfs/dbraw/zinc/32/46/63/975324663.db2.gz NAAKARRAAWAYSJ-DOMZBBRYSA-N 2 2 408.319 3.692 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428266104 975580677 /nfs/dbraw/zinc/58/06/77/975580677.db2.gz QRNRVHQCSYKUBR-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428266104 975580689 /nfs/dbraw/zinc/58/06/89/975580689.db2.gz QRNRVHQCSYKUBR-KNQAVFIVSA-N 2 2 407.562 3.534 20 0 HHADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000428405449 975725913 /nfs/dbraw/zinc/72/59/13/975725913.db2.gz WXVBOWLQXVYCNW-HXUWFJFHSA-N 2 2 424.564 3.879 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440314 975751131 /nfs/dbraw/zinc/75/11/31/975751131.db2.gz SETWVAWYHYEDCG-AREMUKBSSA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428440314 975751139 /nfs/dbraw/zinc/75/11/39/975751139.db2.gz SETWVAWYHYEDCG-AREMUKBSSA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428440314 975751143 /nfs/dbraw/zinc/75/11/43/975751143.db2.gz SETWVAWYHYEDCG-AREMUKBSSA-N 2 2 417.553 3.826 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428440314 975751155 /nfs/dbraw/zinc/75/11/55/975751155.db2.gz SETWVAWYHYEDCG-AREMUKBSSA-N 2 2 417.553 3.826 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000428565141 975877825 /nfs/dbraw/zinc/87/78/25/975877825.db2.gz YZPUGGHLNLDWQS-UHFFFAOYSA-N 2 2 417.623 3.841 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000428635812 975937616 /nfs/dbraw/zinc/93/76/16/975937616.db2.gz HOSZXMOAFQRHTK-RDPSFJRHSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000428635812 975937625 /nfs/dbraw/zinc/93/76/25/975937625.db2.gz HOSZXMOAFQRHTK-RDPSFJRHSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428752599 976027165 /nfs/dbraw/zinc/02/71/65/976027165.db2.gz OKYNIFLEKMHFIS-LJQANCHMSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428752599 976027179 /nfs/dbraw/zinc/02/71/79/976027179.db2.gz OKYNIFLEKMHFIS-LJQANCHMSA-N 2 2 409.578 3.793 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428776554 976049344 /nfs/dbraw/zinc/04/93/44/976049344.db2.gz ZVTAUSJJMYAXMS-LJQANCHMSA-N 2 2 409.578 3.935 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428776554 976049358 /nfs/dbraw/zinc/04/93/58/976049358.db2.gz ZVTAUSJJMYAXMS-LJQANCHMSA-N 2 2 409.578 3.935 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429011741 976293550 /nfs/dbraw/zinc/29/35/50/976293550.db2.gz RXFUULXWNRDVDP-IBGZPJMESA-N 2 2 404.283 3.906 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441127 976718741 /nfs/dbraw/zinc/71/87/41/976718741.db2.gz JBMYKUVIXCIPNU-GHTZIAJQSA-N 2 2 407.558 3.858 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000429441127 976718751 /nfs/dbraw/zinc/71/87/51/976718751.db2.gz JBMYKUVIXCIPNU-GHTZIAJQSA-N 2 2 407.558 3.858 20 0 HHADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678086 976974204 /nfs/dbraw/zinc/97/42/04/976974204.db2.gz AQUDFYMFOKLODU-JZWVFAODSA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678086 976974215 /nfs/dbraw/zinc/97/42/15/976974215.db2.gz AQUDFYMFOKLODU-JZWVFAODSA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678084 976974518 /nfs/dbraw/zinc/97/45/18/976974518.db2.gz AQUDFYMFOKLODU-HARLFGEKSA-N 2 2 423.557 3.738 20 0 HHADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2NC1=O ZINC000429678084 976974529 /nfs/dbraw/zinc/97/45/29/976974529.db2.gz AQUDFYMFOKLODU-HARLFGEKSA-N 2 2 423.557 3.738 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807554 977082342 /nfs/dbraw/zinc/08/23/42/977082342.db2.gz NYMFVXNIWFZXBN-BWKNWUBXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807554 977082354 /nfs/dbraw/zinc/08/23/54/977082354.db2.gz NYMFVXNIWFZXBN-BWKNWUBXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807554 977082364 /nfs/dbraw/zinc/08/23/64/977082364.db2.gz NYMFVXNIWFZXBN-BWKNWUBXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000429807554 977082377 /nfs/dbraw/zinc/08/23/77/977082377.db2.gz NYMFVXNIWFZXBN-BWKNWUBXSA-N 2 2 407.602 3.987 20 0 HHADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000430422240 977535529 /nfs/dbraw/zinc/53/55/29/977535529.db2.gz CIPMCUXPFGTPTM-OALUTQOASA-N 2 2 408.384 3.529 20 0 HHADLP CCN(C(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430932642 977897410 /nfs/dbraw/zinc/89/74/10/977897410.db2.gz ZNOOYKGPGKYYTJ-NRFANRHFSA-N 3 2 414.638 3.556 20 0 HHADLP CCN(C(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000430932642 977897423 /nfs/dbraw/zinc/89/74/23/977897423.db2.gz ZNOOYKGPGKYYTJ-NRFANRHFSA-N 3 2 414.638 3.556 20 0 HHADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430938843 977901265 /nfs/dbraw/zinc/90/12/65/977901265.db2.gz JLVRCGAIPLCUNB-QGZVFWFLSA-N 3 2 417.623 3.987 20 0 HHADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430938843 977901279 /nfs/dbraw/zinc/90/12/79/977901279.db2.gz JLVRCGAIPLCUNB-QGZVFWFLSA-N 3 2 417.623 3.987 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000430944388 977905194 /nfs/dbraw/zinc/90/51/94/977905194.db2.gz LVRAWWYRUPCFTR-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000430944388 977905212 /nfs/dbraw/zinc/90/52/12/977905212.db2.gz LVRAWWYRUPCFTR-LJQANCHMSA-N 3 2 418.601 3.589 20 0 HHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000431333866 978218584 /nfs/dbraw/zinc/21/85/84/978218584.db2.gz PXQSHPGHVQNLBW-XMMPIXPASA-N 2 2 422.569 3.890 20 0 HHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000431342618 978224027 /nfs/dbraw/zinc/22/40/27/978224027.db2.gz ABZJQWFWEUUHQA-JOCHJYFZSA-N 2 2 422.573 3.747 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000431650933 978410859 /nfs/dbraw/zinc/41/08/59/978410859.db2.gz GVXBZRCWJAYEFM-UHFFFAOYSA-N 2 2 411.594 3.531 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431672781 978427029 /nfs/dbraw/zinc/42/70/29/978427029.db2.gz IKULNNDVKMBILB-TZIWHRDSSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431672781 978427032 /nfs/dbraw/zinc/42/70/32/978427032.db2.gz IKULNNDVKMBILB-TZIWHRDSSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431672780 978427200 /nfs/dbraw/zinc/42/72/00/978427200.db2.gz IKULNNDVKMBILB-PZJWPPBQSA-N 2 2 412.603 3.628 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431672780 978427203 /nfs/dbraw/zinc/42/72/03/978427203.db2.gz IKULNNDVKMBILB-PZJWPPBQSA-N 2 2 412.603 3.628 20 0 HHADLP C[NH+]1CCC([N@H+](CCO)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000431747912 978479805 /nfs/dbraw/zinc/47/98/05/978479805.db2.gz CAKOTLRTPPLJRM-UHFFFAOYSA-N 2 2 408.521 3.567 20 0 HHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000431747912 978479808 /nfs/dbraw/zinc/47/98/08/978479808.db2.gz CAKOTLRTPPLJRM-UHFFFAOYSA-N 2 2 408.521 3.567 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431777863 978505100 /nfs/dbraw/zinc/50/51/00/978505100.db2.gz DKWVHIXXMJQGIS-HXUWFJFHSA-N 2 2 408.571 3.564 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431777863 978505104 /nfs/dbraw/zinc/50/51/04/978505104.db2.gz DKWVHIXXMJQGIS-HXUWFJFHSA-N 2 2 408.571 3.564 20 0 HHADLP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1OC(F)F ZINC000432359705 978776899 /nfs/dbraw/zinc/77/68/99/978776899.db2.gz UDUOEEMSELWTJY-CQSZACIVSA-N 2 2 421.326 3.949 20 0 HHADLP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1OC(F)F ZINC000432359705 978776903 /nfs/dbraw/zinc/77/69/03/978776903.db2.gz UDUOEEMSELWTJY-CQSZACIVSA-N 2 2 421.326 3.949 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccc(C(C)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000432597617 978905912 /nfs/dbraw/zinc/90/59/12/978905912.db2.gz MKDWTLHYUCZRIW-UHFFFAOYSA-N 2 2 408.537 3.548 20 0 HHADLP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112645 979079004 /nfs/dbraw/zinc/07/90/04/979079004.db2.gz JQODAANHPCPMCF-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433112645 979079013 /nfs/dbraw/zinc/07/90/13/979079013.db2.gz JQODAANHPCPMCF-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205832 979140884 /nfs/dbraw/zinc/14/08/84/979140884.db2.gz FIHCAAMTJMYZFH-KDOFPFPSSA-N 2 2 403.548 3.879 20 0 HHADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205832 979140886 /nfs/dbraw/zinc/14/08/86/979140886.db2.gz FIHCAAMTJMYZFH-KDOFPFPSSA-N 2 2 403.548 3.879 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000433259688 979193315 /nfs/dbraw/zinc/19/33/15/979193315.db2.gz JNZVQAYKXLMDSU-UHFFFAOYSA-N 2 2 411.550 3.571 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(N5CCSCC5)[nH+]cn4)C3)C2)cc1 ZINC000433746850 979543490 /nfs/dbraw/zinc/54/34/90/979543490.db2.gz BGCRRZBCVSGEHF-QHCPKHFHSA-N 2 2 409.603 3.522 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cc(N5CCSCC5)[nH+]cn4)C3)C2)cc1 ZINC000433746850 979543498 /nfs/dbraw/zinc/54/34/98/979543498.db2.gz BGCRRZBCVSGEHF-QHCPKHFHSA-N 2 2 409.603 3.522 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903224 979664881 /nfs/dbraw/zinc/66/48/81/979664881.db2.gz GURGNFMQEXVFNY-UXPWSPDFSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903224 979664885 /nfs/dbraw/zinc/66/48/85/979664885.db2.gz GURGNFMQEXVFNY-UXPWSPDFSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903224 979664890 /nfs/dbraw/zinc/66/48/90/979664890.db2.gz GURGNFMQEXVFNY-UXPWSPDFSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433903224 979664893 /nfs/dbraw/zinc/66/48/93/979664893.db2.gz GURGNFMQEXVFNY-UXPWSPDFSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000433932013 979691034 /nfs/dbraw/zinc/69/10/34/979691034.db2.gz PNVIKPKTUQPQGE-YOSAUDMPSA-N 2 2 422.573 3.922 20 0 HHADLP CC(C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+]1CCC(C)CC1 ZINC000433944202 979703271 /nfs/dbraw/zinc/70/32/71/979703271.db2.gz UTLCXLITLHELPY-JOCHJYFZSA-N 2 2 415.626 3.865 20 0 HHADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434128891 979884961 /nfs/dbraw/zinc/88/49/61/979884961.db2.gz SGIIJLGETVEMJR-UHFFFAOYSA-N 2 2 401.599 3.765 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1)c1ccccc1 ZINC000434187785 979953150 /nfs/dbraw/zinc/95/31/50/979953150.db2.gz CYZNKTVXBXTFDG-SIKLNZKXSA-N 2 2 408.546 3.908 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@@H+]1Cc1ccccc1 ZINC000434288486 980049030 /nfs/dbraw/zinc/04/90/30/980049030.db2.gz RFMDMKZQJRWNMF-DENIHFKCSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[N@H+]1Cc1ccccc1 ZINC000434288486 980049034 /nfs/dbraw/zinc/04/90/34/980049034.db2.gz RFMDMKZQJRWNMF-DENIHFKCSA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370507 980119158 /nfs/dbraw/zinc/11/91/58/980119158.db2.gz PLEQNCWCAMTPQO-AUSIDOKSSA-N 2 2 421.589 3.629 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370507 980119166 /nfs/dbraw/zinc/11/91/66/980119166.db2.gz PLEQNCWCAMTPQO-AUSIDOKSSA-N 2 2 421.589 3.629 20 0 HHADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434502466 980215088 /nfs/dbraw/zinc/21/50/88/980215088.db2.gz DPQQJFVIJWPJTD-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434502466 980215093 /nfs/dbraw/zinc/21/50/93/980215093.db2.gz DPQQJFVIJWPJTD-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434502466 980215100 /nfs/dbraw/zinc/21/51/00/980215100.db2.gz DPQQJFVIJWPJTD-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434502466 980215104 /nfs/dbraw/zinc/21/51/04/980215104.db2.gz DPQQJFVIJWPJTD-FQEVSTJZSA-N 2 2 406.452 3.570 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532189 980233124 /nfs/dbraw/zinc/23/31/24/980233124.db2.gz WJMSBDPDFWLKIR-DZFGPLHGSA-N 2 2 416.614 3.791 20 0 HHADLP CC[C@H](C)c1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000434532189 980233128 /nfs/dbraw/zinc/23/31/28/980233128.db2.gz WJMSBDPDFWLKIR-DZFGPLHGSA-N 2 2 416.614 3.791 20 0 HHADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000434620035 980301082 /nfs/dbraw/zinc/30/10/82/980301082.db2.gz HQFOGHRNUJFGPD-DEOSSOPVSA-N 2 2 413.537 3.926 20 0 HHADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000434620035 980301091 /nfs/dbraw/zinc/30/10/91/980301091.db2.gz HQFOGHRNUJFGPD-DEOSSOPVSA-N 2 2 413.537 3.926 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434667055 980329295 /nfs/dbraw/zinc/32/92/95/980329295.db2.gz SWIKOSHRMMTMKW-UHFFFAOYSA-N 2 2 402.926 3.700 20 0 HHADLP CC(C)Oc1ccc(CCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434671884 980331365 /nfs/dbraw/zinc/33/13/65/980331365.db2.gz WOZASSUBVFESLM-UHFFFAOYSA-N 2 2 424.589 3.545 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000434676559 980334511 /nfs/dbraw/zinc/33/45/11/980334511.db2.gz RVHSFSLLHWBFSZ-SFHVURJKSA-N 2 2 423.561 3.752 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(Br)cc1 ZINC000434743095 980374548 /nfs/dbraw/zinc/37/45/48/980374548.db2.gz DKYWUJPCOLRBRZ-UHFFFAOYSA-N 2 2 417.351 3.800 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000436249289 981268563 /nfs/dbraw/zinc/26/85/63/981268563.db2.gz CGCDVYOYXKTMDV-HRTMPFAESA-N 2 2 417.553 3.848 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000436249289 981268567 /nfs/dbraw/zinc/26/85/67/981268567.db2.gz CGCDVYOYXKTMDV-HRTMPFAESA-N 2 2 417.553 3.848 20 0 HHADLP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cs2)cc1 ZINC000436298135 981287367 /nfs/dbraw/zinc/28/73/67/981287367.db2.gz YCKZKOBPKRQKGC-UHFFFAOYSA-N 2 2 423.586 3.821 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241013 981648336 /nfs/dbraw/zinc/64/83/36/981648336.db2.gz NENIFRSVKWDIPZ-MRXNPFEDSA-N 2 2 416.595 3.595 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)n2)C1 ZINC000448241013 981648338 /nfs/dbraw/zinc/64/83/38/981648338.db2.gz NENIFRSVKWDIPZ-MRXNPFEDSA-N 2 2 416.595 3.595 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436975038 981660514 /nfs/dbraw/zinc/66/05/14/981660514.db2.gz FXQDQMUBPFCQPH-PKTZIBPZSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1ccc2c(c1O)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436975038 981660518 /nfs/dbraw/zinc/66/05/18/981660518.db2.gz FXQDQMUBPFCQPH-PKTZIBPZSA-N 2 2 413.606 3.680 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318161 982095755 /nfs/dbraw/zinc/09/57/55/982095755.db2.gz KVISOCFFKBJSOH-LPHOPBHVSA-N 2 2 421.467 3.510 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460318161 982095766 /nfs/dbraw/zinc/09/57/66/982095766.db2.gz KVISOCFFKBJSOH-LPHOPBHVSA-N 2 2 421.467 3.510 20 0 HHADLP CCc1nc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)sc1C ZINC000460345764 982116924 /nfs/dbraw/zinc/11/69/24/982116924.db2.gz IAOOJUJROUUWTG-HZPDHXFCSA-N 2 2 400.592 3.699 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000460384912 982163030 /nfs/dbraw/zinc/16/30/30/982163030.db2.gz HIYNGFYZLYNVOX-UPVQGACJSA-N 2 2 422.960 3.833 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460484580 982276751 /nfs/dbraw/zinc/27/67/51/982276751.db2.gz AAUVFNCKHJYWLV-UHFFFAOYSA-N 2 2 405.586 3.958 20 0 HHADLP C[NH+]1CCC(CNC(=O)CSCc2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460489795 982279429 /nfs/dbraw/zinc/27/94/29/982279429.db2.gz OZSRIZZAWXMDIK-UHFFFAOYSA-N 2 2 410.027 3.640 20 0 HHADLP C[NH+]1CCC(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)([NH+]2CCCCC2)CC1 ZINC000460509398 982298176 /nfs/dbraw/zinc/29/81/76/982298176.db2.gz TUZMYWBLHSEMSM-UHFFFAOYSA-N 2 2 423.523 3.804 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000438168549 982628251 /nfs/dbraw/zinc/62/82/51/982628251.db2.gz SDEBKDCGHGZNIV-NRFANRHFSA-N 2 2 413.610 3.906 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000438168549 982628256 /nfs/dbraw/zinc/62/82/56/982628256.db2.gz SDEBKDCGHGZNIV-NRFANRHFSA-N 2 2 413.610 3.906 20 0 HHADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1OC(C)C ZINC000438415617 982776974 /nfs/dbraw/zinc/77/69/74/982776974.db2.gz AXCNHLJUDSIDBU-UHFFFAOYSA-N 2 2 402.583 3.854 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2OC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000438506912 982846361 /nfs/dbraw/zinc/84/63/61/982846361.db2.gz RTOMADAALXTYGB-UHFFFAOYSA-N 2 2 402.583 3.936 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439912 983103860 /nfs/dbraw/zinc/10/38/60/983103860.db2.gz VWNPBHRFSBWAGZ-DNQXCXABSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439912 983103861 /nfs/dbraw/zinc/10/38/61/983103861.db2.gz VWNPBHRFSBWAGZ-DNQXCXABSA-N 2 2 400.526 3.526 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3OC)cc2)CC1 ZINC000439076116 983238928 /nfs/dbraw/zinc/23/89/28/983238928.db2.gz HBOXBOLFCLVSEI-IBGZPJMESA-N 2 2 424.589 3.642 20 0 HHADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000441044396 984040596 /nfs/dbraw/zinc/04/05/96/984040596.db2.gz JLNGDAKGJHGSGJ-QPPBQGQZSA-N 2 2 414.638 3.523 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343643 984198094 /nfs/dbraw/zinc/19/80/94/984198094.db2.gz WISJRHUIAHJGJJ-OFVILXPXSA-N 2 2 420.601 3.795 20 0 HHADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343643 984198097 /nfs/dbraw/zinc/19/80/97/984198097.db2.gz WISJRHUIAHJGJJ-OFVILXPXSA-N 2 2 420.601 3.795 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)c(C)c1 ZINC000441375947 984218045 /nfs/dbraw/zinc/21/80/45/984218045.db2.gz ZSFMUNKCNXLFCF-DYESRHJHSA-N 2 2 423.492 3.707 20 0 HHADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441383525 984221784 /nfs/dbraw/zinc/22/17/84/984221784.db2.gz MHPZYWUTVMVXJQ-JPYJTQIMSA-N 2 2 419.529 3.816 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c(OC)c1 ZINC000441383461 984222005 /nfs/dbraw/zinc/22/20/05/984222005.db2.gz PNDOZHISPNATIS-AVRDEDQJSA-N 2 2 422.529 3.875 20 0 HHADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000441384398 984222827 /nfs/dbraw/zinc/22/28/27/984222827.db2.gz XXCQYNCAJKLVFO-QUCCMNQESA-N 2 2 422.529 3.834 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C)c1 ZINC000441495416 984287041 /nfs/dbraw/zinc/28/70/41/984287041.db2.gz BRANJJPHQUYODX-UPVQGACJSA-N 2 2 419.573 3.713 20 0 HHADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000441900703 984527102 /nfs/dbraw/zinc/52/71/02/984527102.db2.gz RXLJKWWCXDLUOE-INIZCTEOSA-N 2 2 401.352 3.824 20 0 HHADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000441900703 984527106 /nfs/dbraw/zinc/52/71/06/984527106.db2.gz RXLJKWWCXDLUOE-INIZCTEOSA-N 2 2 401.352 3.824 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000442044586 984608412 /nfs/dbraw/zinc/60/84/12/984608412.db2.gz BODHIHCVZXOCBH-MRXNPFEDSA-N 2 2 421.655 3.784 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000442044586 984608415 /nfs/dbraw/zinc/60/84/15/984608415.db2.gz BODHIHCVZXOCBH-MRXNPFEDSA-N 2 2 421.655 3.784 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000442206160 984725919 /nfs/dbraw/zinc/72/59/19/984725919.db2.gz FXTDSQUOZMRPLT-FUUYNRHESA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000442206160 984725922 /nfs/dbraw/zinc/72/59/22/984725922.db2.gz FXTDSQUOZMRPLT-FUUYNRHESA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000442206158 984725975 /nfs/dbraw/zinc/72/59/75/984725975.db2.gz FXTDSQUOZMRPLT-DENAFPEJSA-N 2 2 402.583 3.538 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)c1 ZINC000442230020 984749684 /nfs/dbraw/zinc/74/96/84/984749684.db2.gz CPDMYRIFBDPZOA-GIWBLDEGSA-N 2 2 409.578 3.898 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)c1 ZINC000442230020 984749690 /nfs/dbraw/zinc/74/96/90/984749690.db2.gz CPDMYRIFBDPZOA-GIWBLDEGSA-N 2 2 409.578 3.898 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000442233931 984754099 /nfs/dbraw/zinc/75/40/99/984754099.db2.gz DQXSIFOSCVQAFY-PKTZIBPZSA-N 2 2 405.546 3.843 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(C)c1 ZINC000442248182 984769867 /nfs/dbraw/zinc/76/98/67/984769867.db2.gz XYZLTLAPXHROIE-JTHBVZDNSA-N 2 2 409.578 3.901 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442890051 985263456 /nfs/dbraw/zinc/26/34/56/985263456.db2.gz JCRJDDXUABGOCJ-QGZVFWFLSA-N 2 2 408.340 3.726 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442890051 985263461 /nfs/dbraw/zinc/26/34/61/985263461.db2.gz JCRJDDXUABGOCJ-QGZVFWFLSA-N 2 2 408.340 3.726 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)[NH+]2CCCC2)o1 ZINC000462318133 985307172 /nfs/dbraw/zinc/30/71/72/985307172.db2.gz ZRHYNFSTHLCRIF-AZUAARDMSA-N 2 2 416.591 3.875 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467912228 985543286 /nfs/dbraw/zinc/54/32/86/985543286.db2.gz RMRCTPAUQFGNSL-XZOQPEGZSA-N 2 2 415.597 3.944 20 0 HHADLP CN(C(=O)C1(Cc2ccccc2F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467912228 985543291 /nfs/dbraw/zinc/54/32/91/985543291.db2.gz RMRCTPAUQFGNSL-XZOQPEGZSA-N 2 2 415.597 3.944 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000462652985 985592893 /nfs/dbraw/zinc/59/28/93/985592893.db2.gz AUAORBAKVDSBOL-IBGZPJMESA-N 2 2 412.603 3.801 20 0 HHADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000462726696 985673697 /nfs/dbraw/zinc/67/36/97/985673697.db2.gz KOZGHMBSOGDQLQ-IBGZPJMESA-N 2 2 409.755 3.829 20 0 HHADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000462726696 985673705 /nfs/dbraw/zinc/67/37/05/985673705.db2.gz KOZGHMBSOGDQLQ-IBGZPJMESA-N 2 2 409.755 3.829 20 0 HHADLP COCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750232 985690972 /nfs/dbraw/zinc/69/09/72/985690972.db2.gz NAVWQQUDDZAAPL-YADHBBJMSA-N 2 2 422.658 3.562 20 0 HHADLP COCC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750232 985690981 /nfs/dbraw/zinc/69/09/81/985690981.db2.gz NAVWQQUDDZAAPL-YADHBBJMSA-N 2 2 422.658 3.562 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(F)cc3F)C(C)(C)C)CC2)CC1 ZINC000468290916 985988734 /nfs/dbraw/zinc/98/87/34/985988734.db2.gz IXJRCDXZDWLXFL-NRFANRHFSA-N 2 2 422.564 3.910 20 0 HHADLP Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000463115969 986079999 /nfs/dbraw/zinc/07/99/99/986079999.db2.gz AFBVAJWKPYTISB-XMMPIXPASA-N 2 2 413.993 3.769 20 0 HHADLP Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000463115969 986080013 /nfs/dbraw/zinc/08/00/13/986080013.db2.gz AFBVAJWKPYTISB-XMMPIXPASA-N 2 2 413.993 3.769 20 0 HHADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463118306 986083268 /nfs/dbraw/zinc/08/32/68/986083268.db2.gz ZDBCBJCQLVTJGQ-UHFFFAOYSA-N 2 2 402.510 3.648 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000463122896 986086930 /nfs/dbraw/zinc/08/69/30/986086930.db2.gz HEQGWBBZKBUQFO-JOCHJYFZSA-N 2 2 415.940 3.881 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)CC1 ZINC000463147509 986117628 /nfs/dbraw/zinc/11/76/28/986117628.db2.gz PYTRPPNXWATWDN-UHFFFAOYSA-N 2 2 421.383 3.581 20 0 HHADLP COc1ccc(C2([NH2+]Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)CCOCC2)cc1F ZINC000444006970 986202973 /nfs/dbraw/zinc/20/29/73/986202973.db2.gz ZDPIZINEANDOSD-UHFFFAOYSA-N 2 2 419.566 3.853 20 0 HHADLP COc1ccc(C2([NH2+]Cc3nc4c(s3)C[N@H+](C(C)C)CC4)CCOCC2)cc1F ZINC000444006970 986202984 /nfs/dbraw/zinc/20/29/84/986202984.db2.gz ZDPIZINEANDOSD-UHFFFAOYSA-N 2 2 419.566 3.853 20 0 HHADLP O[C@H]1CCC[C@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC000463238713 986207742 /nfs/dbraw/zinc/20/77/42/986207742.db2.gz QKJOBDCEWOQPBR-VQTJNVASSA-N 2 2 402.476 3.906 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1OC(F)(F)F ZINC000463247620 986216110 /nfs/dbraw/zinc/21/61/10/986216110.db2.gz WRMSNJSGIXOSIY-FQEVSTJZSA-N 2 2 408.464 3.915 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444192514 986370340 /nfs/dbraw/zinc/37/03/40/986370340.db2.gz JSBCZHLIQXTPRQ-MJGOQNOKSA-N 2 2 422.411 3.604 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444192514 986370356 /nfs/dbraw/zinc/37/03/56/986370356.db2.gz JSBCZHLIQXTPRQ-MJGOQNOKSA-N 2 2 422.411 3.604 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468733081 986446013 /nfs/dbraw/zinc/44/60/13/986446013.db2.gz GKLKPMVQDNJVOL-AZUAARDMSA-N 2 2 414.516 3.613 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468733081 986446017 /nfs/dbraw/zinc/44/60/17/986446017.db2.gz GKLKPMVQDNJVOL-AZUAARDMSA-N 2 2 414.516 3.613 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cnn1C(C)(C)C ZINC000469067012 986778749 /nfs/dbraw/zinc/77/87/49/986778749.db2.gz UTFRWLGGZKRMPC-SFHVURJKSA-N 2 2 400.567 3.508 20 0 HHADLP O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690519 986868015 /nfs/dbraw/zinc/86/80/15/986868015.db2.gz TVFNBRNZSHAIIN-YJBOKZPZSA-N 2 2 417.903 3.867 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444690519 986868022 /nfs/dbraw/zinc/86/80/22/986868022.db2.gz TVFNBRNZSHAIIN-YJBOKZPZSA-N 2 2 417.903 3.867 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793584 986948707 /nfs/dbraw/zinc/94/87/07/986948707.db2.gz HVXWOBVSXAGCKF-ZJSXRUAMSA-N 2 2 420.532 3.987 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793584 986948715 /nfs/dbraw/zinc/94/87/15/986948715.db2.gz HVXWOBVSXAGCKF-ZJSXRUAMSA-N 2 2 420.532 3.987 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793582 986949020 /nfs/dbraw/zinc/94/90/20/986949020.db2.gz HVXWOBVSXAGCKF-XUZZJYLKSA-N 2 2 420.532 3.987 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000444793582 986949030 /nfs/dbraw/zinc/94/90/30/986949030.db2.gz HVXWOBVSXAGCKF-XUZZJYLKSA-N 2 2 420.532 3.987 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ncc(C4CCCCC4)s3)CC2)CC1 ZINC000444926566 987073635 /nfs/dbraw/zinc/07/36/35/987073635.db2.gz BZOPTROHXKARAZ-UHFFFAOYSA-N 2 2 405.612 3.871 20 0 HHADLP O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000469451333 987137425 /nfs/dbraw/zinc/13/74/25/987137425.db2.gz AHBRUGKYRNOUCU-PZJWPPBQSA-N 2 2 419.447 3.516 20 0 HHADLP O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000469451333 987137431 /nfs/dbraw/zinc/13/74/31/987137431.db2.gz AHBRUGKYRNOUCU-PZJWPPBQSA-N 2 2 419.447 3.516 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469736518 987386645 /nfs/dbraw/zinc/38/66/45/987386645.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 2 403.526 3.802 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469736518 987386651 /nfs/dbraw/zinc/38/66/51/987386651.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 2 403.526 3.802 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469736518 987386656 /nfs/dbraw/zinc/38/66/56/987386656.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 2 403.526 3.802 20 0 HHADLP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469736518 987386661 /nfs/dbraw/zinc/38/66/61/987386661.db2.gz MESFYNUAMPYQQR-DEOSSOPVSA-N 2 2 403.526 3.802 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000469761329 987414938 /nfs/dbraw/zinc/41/49/38/987414938.db2.gz AXIOLKVTXZHVQD-UEVCKROQSA-N 2 2 423.605 3.949 20 0 HHADLP C[C@@H]1CCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000469761329 987414945 /nfs/dbraw/zinc/41/49/45/987414945.db2.gz AXIOLKVTXZHVQD-UEVCKROQSA-N 2 2 423.605 3.949 20 0 HHADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469778403 987427173 /nfs/dbraw/zinc/42/71/73/987427173.db2.gz CINAWMUCMDJBCA-NRFANRHFSA-N 2 2 406.496 3.957 20 0 HHADLP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000469793669 987437627 /nfs/dbraw/zinc/43/76/27/987437627.db2.gz IEJLIQCQNFYFFT-QZTJIDSGSA-N 2 2 410.653 3.967 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000464050095 988172368 /nfs/dbraw/zinc/17/23/68/988172368.db2.gz CPGPVZXVVLFWPR-FQEVSTJZSA-N 2 2 407.986 3.694 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000464050095 988172369 /nfs/dbraw/zinc/17/23/69/988172369.db2.gz CPGPVZXVVLFWPR-FQEVSTJZSA-N 2 2 407.986 3.694 20 0 HHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314090 988443588 /nfs/dbraw/zinc/44/35/88/988443588.db2.gz BDZNIZKLIICYTQ-VXNXHJTFSA-N 2 2 415.622 3.984 20 0 HHADLP CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000464314090 988443592 /nfs/dbraw/zinc/44/35/92/988443592.db2.gz BDZNIZKLIICYTQ-VXNXHJTFSA-N 2 2 415.622 3.984 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439843 988610383 /nfs/dbraw/zinc/61/03/83/988610383.db2.gz PSASHJHMPMZTGP-DNQXCXABSA-N 2 2 412.622 3.851 20 0 HHADLP C=Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000464439843 988610385 /nfs/dbraw/zinc/61/03/85/988610385.db2.gz PSASHJHMPMZTGP-DNQXCXABSA-N 2 2 412.622 3.851 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643536 988657704 /nfs/dbraw/zinc/65/77/04/988657704.db2.gz HETDYJYGUMBLTF-FPCVCCKLSA-N 2 2 422.520 3.587 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643536 988657712 /nfs/dbraw/zinc/65/77/12/988657712.db2.gz HETDYJYGUMBLTF-FPCVCCKLSA-N 2 2 422.520 3.587 20 0 HHADLP C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000464518786 988694567 /nfs/dbraw/zinc/69/45/67/988694567.db2.gz ODRGWAJEFQYPAF-GOSISDBHSA-N 2 2 406.555 3.912 20 0 HHADLP CC[N@@H+](CC(=O)NCc1cccc(OC(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804621 989033910 /nfs/dbraw/zinc/03/39/10/989033910.db2.gz HKQLVNAGVBIDSO-UHFFFAOYSA-N 2 2 424.589 3.724 20 0 HHADLP CC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804621 989033914 /nfs/dbraw/zinc/03/39/14/989033914.db2.gz HKQLVNAGVBIDSO-UHFFFAOYSA-N 2 2 424.589 3.724 20 0 HHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806284 989038153 /nfs/dbraw/zinc/03/81/53/989038153.db2.gz PMJIKRLJPMJDIG-UHFFFAOYSA-N 2 2 412.553 3.808 20 0 HHADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806284 989038167 /nfs/dbraw/zinc/03/81/67/989038167.db2.gz PMJIKRLJPMJDIG-UHFFFAOYSA-N 2 2 412.553 3.808 20 0 HHADLP CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808035 989041543 /nfs/dbraw/zinc/04/15/43/989041543.db2.gz WOBHXCZOIPNKAH-UHFFFAOYSA-N 2 2 406.574 3.811 20 0 HHADLP CC[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808035 989041555 /nfs/dbraw/zinc/04/15/55/989041555.db2.gz WOBHXCZOIPNKAH-UHFFFAOYSA-N 2 2 406.574 3.811 20 0 HHADLP C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464856266 989110105 /nfs/dbraw/zinc/11/01/05/989110105.db2.gz URCOSXISSZLSED-SANMLTNESA-N 2 2 419.613 3.922 20 0 HHADLP C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464856266 989110116 /nfs/dbraw/zinc/11/01/16/989110116.db2.gz URCOSXISSZLSED-SANMLTNESA-N 2 2 419.613 3.922 20 0 HHADLP C[NH+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464856266 989110124 /nfs/dbraw/zinc/11/01/24/989110124.db2.gz URCOSXISSZLSED-SANMLTNESA-N 2 2 419.613 3.922 20 0 HHADLP C[NH+](CC(=O)N1CCC(Cc2ccccc2)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464856266 989110134 /nfs/dbraw/zinc/11/01/34/989110134.db2.gz URCOSXISSZLSED-SANMLTNESA-N 2 2 419.613 3.922 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860698 989115400 /nfs/dbraw/zinc/11/54/00/989115400.db2.gz ZLJWNUJHVMEAJW-JAXLGGSGSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860698 989115413 /nfs/dbraw/zinc/11/54/13/989115413.db2.gz ZLJWNUJHVMEAJW-JAXLGGSGSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860698 989115417 /nfs/dbraw/zinc/11/54/17/989115417.db2.gz ZLJWNUJHVMEAJW-JAXLGGSGSA-N 2 2 409.574 3.715 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860698 989115421 /nfs/dbraw/zinc/11/54/21/989115421.db2.gz ZLJWNUJHVMEAJW-JAXLGGSGSA-N 2 2 409.574 3.715 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC[NH+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409127 989587330 /nfs/dbraw/zinc/58/73/30/989587330.db2.gz KPLZAJOXQXOMPX-BGYRXZFFSA-N 2 2 407.558 3.683 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC[NH+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409127 989587332 /nfs/dbraw/zinc/58/73/32/989587332.db2.gz KPLZAJOXQXOMPX-BGYRXZFFSA-N 2 2 407.558 3.683 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409127 989587336 /nfs/dbraw/zinc/58/73/36/989587336.db2.gz KPLZAJOXQXOMPX-BGYRXZFFSA-N 2 2 407.558 3.683 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471409127 989587343 /nfs/dbraw/zinc/58/73/43/989587343.db2.gz KPLZAJOXQXOMPX-BGYRXZFFSA-N 2 2 407.558 3.683 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000465419867 989764866 /nfs/dbraw/zinc/76/48/66/989764866.db2.gz BXUOKVCHMFSRJF-LJQANCHMSA-N 2 2 413.591 3.557 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000465525533 989882461 /nfs/dbraw/zinc/88/24/61/989882461.db2.gz XQXAANPUHNVYTK-RBBKRZOGSA-N 2 2 423.586 3.875 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000465525533 989882475 /nfs/dbraw/zinc/88/24/75/989882475.db2.gz XQXAANPUHNVYTK-RBBKRZOGSA-N 2 2 423.586 3.875 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000465526159 989883482 /nfs/dbraw/zinc/88/34/82/989883482.db2.gz OBYBZIQAXRGTPY-UXHICEINSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000465526159 989883497 /nfs/dbraw/zinc/88/34/97/989883497.db2.gz OBYBZIQAXRGTPY-UXHICEINSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000465526160 989883738 /nfs/dbraw/zinc/88/37/38/989883738.db2.gz OBYBZIQAXRGTPY-VQTJNVASSA-N 2 2 401.599 3.592 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000465526160 989883744 /nfs/dbraw/zinc/88/37/44/989883744.db2.gz OBYBZIQAXRGTPY-VQTJNVASSA-N 2 2 401.599 3.592 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465564085 989930570 /nfs/dbraw/zinc/93/05/70/989930570.db2.gz DLVSEFMYTKDAKN-NRFANRHFSA-N 2 2 421.589 3.878 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000465564085 989930574 /nfs/dbraw/zinc/93/05/74/989930574.db2.gz DLVSEFMYTKDAKN-NRFANRHFSA-N 2 2 421.589 3.878 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465763026 990148963 /nfs/dbraw/zinc/14/89/63/990148963.db2.gz XQJUDWKHMCSBAU-DHIUTWEWSA-N 2 2 412.622 3.962 20 0 HHADLP CCOc1ccccc1[C@@H](CC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465820602 990203932 /nfs/dbraw/zinc/20/39/32/990203932.db2.gz YAQATBNCBAFTAK-OAQYLSRUSA-N 2 2 416.610 3.786 20 0 HHADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000465951003 991090202 /nfs/dbraw/zinc/09/02/02/991090202.db2.gz IIXDVIYNVHXRQA-HXUWFJFHSA-N 2 2 408.537 3.665 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000466016836 991183819 /nfs/dbraw/zinc/18/38/19/991183819.db2.gz BVHAIJUHHQEKPD-WIYYLYMNSA-N 2 2 409.559 3.816 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1cccs1 ZINC000466016836 991183823 /nfs/dbraw/zinc/18/38/23/991183823.db2.gz BVHAIJUHHQEKPD-WIYYLYMNSA-N 2 2 409.559 3.816 20 0 HHADLP Cc1ccc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000466134792 991314810 /nfs/dbraw/zinc/31/48/10/991314810.db2.gz AQNVJFVNDNLBPZ-LJQANCHMSA-N 2 2 404.624 3.853 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000466136689 991316718 /nfs/dbraw/zinc/31/67/18/991316718.db2.gz DPUDRLMEBLZOKL-NRFANRHFSA-N 2 2 402.558 3.623 20 0 HHADLP CN(Cc1csc2ccccc12)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466140279 991321913 /nfs/dbraw/zinc/32/19/13/991321913.db2.gz CTHSKSWEAYPZKR-UHFFFAOYSA-N 2 2 414.619 3.993 20 0 HHADLP CC[C@H](C)N(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143322 991326516 /nfs/dbraw/zinc/32/65/16/991326516.db2.gz NAZMMQLGPPECFQ-NRFANRHFSA-N 2 2 400.611 3.947 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC(Cc3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000466147378 991330557 /nfs/dbraw/zinc/33/05/57/991330557.db2.gz QEIFXSLSHCBYCO-UHFFFAOYSA-N 2 2 412.622 3.601 20 0 HHADLP CC(C)OCc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466150260 991334348 /nfs/dbraw/zinc/33/43/48/991334348.db2.gz WTKBDNURIKUDSL-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccccc2)CC2CCC2)([NH+]2CCCCC2)CC1 ZINC000466152785 991338111 /nfs/dbraw/zinc/33/81/11/991338111.db2.gz GDILMYQRCJKOPB-UHFFFAOYSA-N 2 2 412.622 3.949 20 0 HHADLP CCc1nc(C)c([C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000466155974 991342730 /nfs/dbraw/zinc/34/27/30/991342730.db2.gz ZPBJRRILBWYBJB-SFHVURJKSA-N 2 2 421.655 3.667 20 0 HHADLP Cc1ccc(C(C)(C)CN(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466156496 991343970 /nfs/dbraw/zinc/34/39/70/991343970.db2.gz CLSMFQOTFCDQLA-UHFFFAOYSA-N 2 2 414.638 3.864 20 0 HHADLP Cc1ccc([C@H](C)N(C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000466156574 991344290 /nfs/dbraw/zinc/34/42/90/991344290.db2.gz DKNLBKBXEDSAAL-NRFANRHFSA-N 2 2 400.611 3.956 20 0 HHADLP FC(F)(F)C1CCC(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000466378762 991662028 /nfs/dbraw/zinc/66/20/28/991662028.db2.gz RUMPSJUSECPJLS-UHFFFAOYSA-N 2 2 400.485 3.856 20 0 HHADLP O=C1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1Cc1ccccc1C(F)(F)F ZINC000466474159 991765680 /nfs/dbraw/zinc/76/56/80/991765680.db2.gz MUNSQVMYVOFWMH-OAHLLOKOSA-N 2 2 420.460 3.843 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1)[NH+]1CCOCC1 ZINC000466585861 991902314 /nfs/dbraw/zinc/90/23/14/991902314.db2.gz MIBZKAVJJBTRFU-IBGZPJMESA-N 2 2 410.562 3.506 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466879618 992201315 /nfs/dbraw/zinc/20/13/15/992201315.db2.gz ABJWIUUVPZHMPI-FGZHOGPDSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466879618 992201327 /nfs/dbraw/zinc/20/13/27/992201327.db2.gz ABJWIUUVPZHMPI-FGZHOGPDSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466907607 992223467 /nfs/dbraw/zinc/22/34/67/992223467.db2.gz XWONAFILLQDNKU-XZOQPEGZSA-N 2 2 424.593 3.878 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466907607 992223478 /nfs/dbraw/zinc/22/34/78/992223478.db2.gz XWONAFILLQDNKU-XZOQPEGZSA-N 2 2 424.593 3.878 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466950681 992260637 /nfs/dbraw/zinc/26/06/37/992260637.db2.gz JNLJXHBBOUMDHE-GOTSBHOMSA-N 2 2 416.610 3.676 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466950681 992260649 /nfs/dbraw/zinc/26/06/49/992260649.db2.gz JNLJXHBBOUMDHE-GOTSBHOMSA-N 2 2 416.610 3.676 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202873 992527789 /nfs/dbraw/zinc/52/77/89/992527789.db2.gz SJTVNEBCUSTXNI-PKTZIBPZSA-N 2 2 412.622 3.798 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@@H]4CCC5(CCCCC5)O4)C3)CC2)nc1 ZINC000467202873 992527800 /nfs/dbraw/zinc/52/78/00/992527800.db2.gz SJTVNEBCUSTXNI-PKTZIBPZSA-N 2 2 412.622 3.798 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276753 992598233 /nfs/dbraw/zinc/59/82/33/992598233.db2.gz BNYUSUICXSVCGB-HOCLYGCPSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000467276753 992598243 /nfs/dbraw/zinc/59/82/43/992598243.db2.gz BNYUSUICXSVCGB-HOCLYGCPSA-N 2 2 424.376 3.816 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000467287432 992610778 /nfs/dbraw/zinc/61/07/78/992610778.db2.gz HGUXUGKPQFSYHV-UHFFFAOYSA-N 2 2 423.388 3.882 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000467287432 992610782 /nfs/dbraw/zinc/61/07/82/992610782.db2.gz HGUXUGKPQFSYHV-UHFFFAOYSA-N 2 2 423.388 3.882 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404816 992711901 /nfs/dbraw/zinc/71/19/01/992711901.db2.gz DASXQBRFJICYNQ-XMSQKQJNSA-N 2 2 414.981 3.572 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404816 992711908 /nfs/dbraw/zinc/71/19/08/992711908.db2.gz DASXQBRFJICYNQ-XMSQKQJNSA-N 2 2 414.981 3.572 20 0 HHADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCSC1 ZINC000467409780 992714418 /nfs/dbraw/zinc/71/44/18/992714418.db2.gz AJQPSKPBXPLAQH-OALUTQOASA-N 2 2 413.425 3.944 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000467751567 992997420 /nfs/dbraw/zinc/99/74/20/992997420.db2.gz HHWYWPFLCLYIKU-VXKWHMMOSA-N 2 2 403.954 3.764 20 0 HHADLP C[NH+](C)CCOc1cccc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000467751567 992997437 /nfs/dbraw/zinc/99/74/37/992997437.db2.gz HHWYWPFLCLYIKU-VXKWHMMOSA-N 2 2 403.954 3.764 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000472266686 993289770 /nfs/dbraw/zinc/28/97/70/993289770.db2.gz VOHCYJQPRWQOLG-OAHLLOKOSA-N 2 2 421.891 3.730 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000472266686 993289780 /nfs/dbraw/zinc/28/97/80/993289780.db2.gz VOHCYJQPRWQOLG-OAHLLOKOSA-N 2 2 421.891 3.730 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281905 993300541 /nfs/dbraw/zinc/30/05/41/993300541.db2.gz XYRNFBZOTSBFBS-QFBILLFUSA-N 2 2 406.958 3.808 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281905 993300550 /nfs/dbraw/zinc/30/05/50/993300550.db2.gz XYRNFBZOTSBFBS-QFBILLFUSA-N 2 2 406.958 3.808 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)cc1OC ZINC000480769561 993635183 /nfs/dbraw/zinc/63/51/83/993635183.db2.gz IFPMJZQIPHATHJ-LSDHHAIUSA-N 2 2 400.548 3.995 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000481169298 994000335 /nfs/dbraw/zinc/00/03/35/994000335.db2.gz NFLMMSXEKPYHQB-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000481169298 994000345 /nfs/dbraw/zinc/00/03/45/994000345.db2.gz NFLMMSXEKPYHQB-LVCYWYKZSA-N 2 2 411.546 3.531 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169091 994000523 /nfs/dbraw/zinc/00/05/23/994000523.db2.gz SAOJSABDBNPQOH-HSQYWUDLSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169091 994000534 /nfs/dbraw/zinc/00/05/34/994000534.db2.gz SAOJSABDBNPQOH-HSQYWUDLSA-N 2 2 403.615 3.572 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181093 994011098 /nfs/dbraw/zinc/01/10/98/994011098.db2.gz LSUFMPLHBSFMSY-XQBPLPMBSA-N 2 2 423.557 3.675 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000481181093 994011107 /nfs/dbraw/zinc/01/11/07/994011107.db2.gz LSUFMPLHBSFMSY-XQBPLPMBSA-N 2 2 423.557 3.675 20 0 HHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481184373 994015341 /nfs/dbraw/zinc/01/53/41/994015341.db2.gz AJMHVYRSPBYTFA-NRFANRHFSA-N 2 2 400.494 3.540 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189785 994022091 /nfs/dbraw/zinc/02/20/91/994022091.db2.gz JLFUVTBQNYORIU-YJBOKZPZSA-N 2 2 412.534 3.874 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189785 994022100 /nfs/dbraw/zinc/02/21/00/994022100.db2.gz JLFUVTBQNYORIU-YJBOKZPZSA-N 2 2 412.534 3.874 20 0 HHADLP O=C(CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481191080 994023455 /nfs/dbraw/zinc/02/34/55/994023455.db2.gz NSWZPYMJFJIQHV-PKTZIBPZSA-N 2 2 406.574 3.511 20 0 HHADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)cc1OC(F)F ZINC000481198186 994031742 /nfs/dbraw/zinc/03/17/42/994031742.db2.gz CKRKGVDRKVRFMQ-MRXNPFEDSA-N 2 2 424.463 3.989 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000481210631 994043584 /nfs/dbraw/zinc/04/35/84/994043584.db2.gz WWDNAIBSSLGKLB-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000481245192 994072742 /nfs/dbraw/zinc/07/27/42/994072742.db2.gz FLZOONVFDHRVBP-FQEVSTJZSA-N 2 2 418.589 3.795 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000481297054 994112135 /nfs/dbraw/zinc/11/21/35/994112135.db2.gz CDCDHWHDKXPEEH-KRWDZBQOSA-N 2 2 404.551 3.853 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000481553829 994386464 /nfs/dbraw/zinc/38/64/64/994386464.db2.gz VOQAHQIYWSGOAZ-XUZZJYLKSA-N 2 2 423.601 3.947 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000481553829 994386475 /nfs/dbraw/zinc/38/64/75/994386475.db2.gz VOQAHQIYWSGOAZ-XUZZJYLKSA-N 2 2 423.601 3.947 20 0 HHADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1S(C)(=O)=O ZINC000481562035 994396369 /nfs/dbraw/zinc/39/63/69/994396369.db2.gz KXVAYRBILRXNHC-AWEZNQCLSA-N 2 2 417.506 3.583 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000473542109 994401976 /nfs/dbraw/zinc/40/19/76/994401976.db2.gz AHJPLHJNLFITES-JOCHJYFZSA-N 2 2 401.620 3.690 20 0 HHADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cc3ccc(C)cc3)C(=O)OC)CC2)cs1 ZINC000481573144 994410393 /nfs/dbraw/zinc/41/03/93/994410393.db2.gz SXLYCVKDSOXVPM-NRFANRHFSA-N 2 2 415.603 3.600 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482020468 994932737 /nfs/dbraw/zinc/93/27/37/994932737.db2.gz YOZKYQSTIMJOSC-XLIONFOSSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482020468 994932746 /nfs/dbraw/zinc/93/27/46/994932746.db2.gz YOZKYQSTIMJOSC-XLIONFOSSA-N 2 2 414.619 3.636 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482023720 994937089 /nfs/dbraw/zinc/93/70/89/994937089.db2.gz BOYZOFUIULTYLT-LPHOPBHVSA-N 2 2 400.592 3.712 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482023720 994937098 /nfs/dbraw/zinc/93/70/98/994937098.db2.gz BOYZOFUIULTYLT-LPHOPBHVSA-N 2 2 400.592 3.712 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032275 994949030 /nfs/dbraw/zinc/94/90/30/994949030.db2.gz OIYKWTAZKIPDAM-GBXCKJPGSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032275 994949036 /nfs/dbraw/zinc/94/90/36/994949036.db2.gz OIYKWTAZKIPDAM-GBXCKJPGSA-N 2 2 409.574 3.859 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482079104 995016333 /nfs/dbraw/zinc/01/63/33/995016333.db2.gz GVOFBWAELSVJDY-BJKOFHAPSA-N 2 2 416.525 3.648 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482079104 995016342 /nfs/dbraw/zinc/01/63/42/995016342.db2.gz GVOFBWAELSVJDY-BJKOFHAPSA-N 2 2 416.525 3.648 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000482114428 995061727 /nfs/dbraw/zinc/06/17/27/995061727.db2.gz MRNUOOOTHDNWGH-HNNXBMFYSA-N 2 2 407.345 3.778 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482149393 995100824 /nfs/dbraw/zinc/10/08/24/995100824.db2.gz JCDWYHCAFGBKTC-ZBFHGGJFSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482149393 995100832 /nfs/dbraw/zinc/10/08/32/995100832.db2.gz JCDWYHCAFGBKTC-ZBFHGGJFSA-N 2 2 402.366 3.659 20 0 HHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482163602 995120890 /nfs/dbraw/zinc/12/08/90/995120890.db2.gz LLUYIDRQHCFCCB-JOCHJYFZSA-N 2 2 412.553 3.799 20 0 HHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000482163602 995120899 /nfs/dbraw/zinc/12/08/99/995120899.db2.gz LLUYIDRQHCFCCB-JOCHJYFZSA-N 2 2 412.553 3.799 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)o2)cc1 ZINC000482199003 995177992 /nfs/dbraw/zinc/17/79/92/995177992.db2.gz NDGNUUIGOCVJNE-UHFFFAOYSA-N 2 2 420.509 3.855 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000482457833 995460136 /nfs/dbraw/zinc/46/01/36/995460136.db2.gz VYSNVCMDCYJCFY-JRGCBEDISA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000482457833 995460149 /nfs/dbraw/zinc/46/01/49/995460149.db2.gz VYSNVCMDCYJCFY-JRGCBEDISA-N 2 2 416.614 3.655 20 0 HHADLP Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000482552824 995559854 /nfs/dbraw/zinc/55/98/54/995559854.db2.gz KNBVFFILFZNRKY-ROUUACIJSA-N 2 2 422.552 3.878 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631884 995625336 /nfs/dbraw/zinc/62/53/36/995625336.db2.gz FBBMLCCCYFCZNV-LEWJYISDSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631884 995625342 /nfs/dbraw/zinc/62/53/42/995625342.db2.gz FBBMLCCCYFCZNV-LEWJYISDSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631889 995625377 /nfs/dbraw/zinc/62/53/77/995625377.db2.gz FBBMLCCCYFCZNV-RTWAWAEBSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631889 995625380 /nfs/dbraw/zinc/62/53/80/995625380.db2.gz FBBMLCCCYFCZNV-RTWAWAEBSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631891 995625585 /nfs/dbraw/zinc/62/55/85/995625585.db2.gz FBBMLCCCYFCZNV-SFTDATJTSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000482631891 995625589 /nfs/dbraw/zinc/62/55/89/995625589.db2.gz FBBMLCCCYFCZNV-SFTDATJTSA-N 2 2 403.929 3.692 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633476 995627193 /nfs/dbraw/zinc/62/71/93/995627193.db2.gz XKXFMMGBMXSGMM-SJLPKXTDSA-N 2 2 418.994 3.770 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633476 995627195 /nfs/dbraw/zinc/62/71/95/995627195.db2.gz XKXFMMGBMXSGMM-SJLPKXTDSA-N 2 2 418.994 3.770 20 0 HHADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000474940608 995814011 /nfs/dbraw/zinc/81/40/11/995814011.db2.gz FJFNFHACBMIUKP-KRWDZBQOSA-N 2 2 407.327 3.835 20 0 HHADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000474940608 995814013 /nfs/dbraw/zinc/81/40/13/995814013.db2.gz FJFNFHACBMIUKP-KRWDZBQOSA-N 2 2 407.327 3.835 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121822 995935416 /nfs/dbraw/zinc/93/54/16/995935416.db2.gz USIZTQKWZPGKGL-UHFFFAOYSA-N 2 2 409.578 3.570 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000475143527 995951317 /nfs/dbraw/zinc/95/13/17/995951317.db2.gz IQRHODNQZIMIAD-GJZGRUSLSA-N 2 2 414.497 3.622 20 0 HHADLP CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475176548 995973786 /nfs/dbraw/zinc/97/37/86/995973786.db2.gz VCZAIVZLEWEKBG-QHCPKHFHSA-N 2 2 421.589 3.665 20 0 HHADLP CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475176548 995973793 /nfs/dbraw/zinc/97/37/93/995973793.db2.gz VCZAIVZLEWEKBG-QHCPKHFHSA-N 2 2 421.589 3.665 20 0 HHADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000475222440 996006500 /nfs/dbraw/zinc/00/65/00/996006500.db2.gz ASQVBOJVUGDKAM-PXNSSMCTSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000475222440 996006505 /nfs/dbraw/zinc/00/65/05/996006505.db2.gz ASQVBOJVUGDKAM-PXNSSMCTSA-N 2 2 405.384 3.926 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161196 996010422 /nfs/dbraw/zinc/01/04/22/996010422.db2.gz SPCAPVJHNRWZKW-MISYRCLQSA-N 2 2 416.516 3.762 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000483161196 996010428 /nfs/dbraw/zinc/01/04/28/996010428.db2.gz SPCAPVJHNRWZKW-MISYRCLQSA-N 2 2 416.516 3.762 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475340286 996078612 /nfs/dbraw/zinc/07/86/12/996078612.db2.gz YTGBNGQVSFBMGS-NLNFPOJYSA-N 2 2 401.448 3.938 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475352171 996084831 /nfs/dbraw/zinc/08/48/31/996084831.db2.gz SOIQCPBFXDPTBW-NNGSBXSVSA-N 2 2 413.484 3.807 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000483297679 996086226 /nfs/dbraw/zinc/08/62/26/996086226.db2.gz PQMLLRYGTASPFJ-VWLOTQADSA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000483297679 996086229 /nfs/dbraw/zinc/08/62/29/996086229.db2.gz PQMLLRYGTASPFJ-VWLOTQADSA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000483297679 996086233 /nfs/dbraw/zinc/08/62/33/996086233.db2.gz PQMLLRYGTASPFJ-VWLOTQADSA-N 2 2 408.590 3.652 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000483297679 996086238 /nfs/dbraw/zinc/08/62/38/996086238.db2.gz PQMLLRYGTASPFJ-VWLOTQADSA-N 2 2 408.590 3.652 20 0 HHADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000483354957 996120435 /nfs/dbraw/zinc/12/04/35/996120435.db2.gz JYAICDYNYNCTPT-KRWDZBQOSA-N 2 2 409.509 3.868 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)C2 ZINC000475421861 996128091 /nfs/dbraw/zinc/12/80/91/996128091.db2.gz BLUHKKVKYHJJGP-DLBZAZTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000475421861 996128094 /nfs/dbraw/zinc/12/80/94/996128094.db2.gz BLUHKKVKYHJJGP-DLBZAZTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc3cccs3)C1)CC2 ZINC000475421861 996128099 /nfs/dbraw/zinc/12/80/99/996128099.db2.gz BLUHKKVKYHJJGP-DLBZAZTESA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000475421861 996128105 /nfs/dbraw/zinc/12/81/05/996128105.db2.gz BLUHKKVKYHJJGP-DLBZAZTESA-N 2 2 400.592 3.728 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475691 996204710 /nfs/dbraw/zinc/20/47/10/996204710.db2.gz OMMMMXPDQLJBBC-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475691 996204716 /nfs/dbraw/zinc/20/47/16/996204716.db2.gz OMMMMXPDQLJBBC-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475691 996204723 /nfs/dbraw/zinc/20/47/23/996204723.db2.gz OMMMMXPDQLJBBC-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000483475691 996204730 /nfs/dbraw/zinc/20/47/30/996204730.db2.gz OMMMMXPDQLJBBC-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481343 996208376 /nfs/dbraw/zinc/20/83/76/996208376.db2.gz XUXAFEXEFFMZNP-MZKUHISZSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000483481343 996208381 /nfs/dbraw/zinc/20/83/81/996208381.db2.gz XUXAFEXEFFMZNP-MZKUHISZSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483481343 996208385 /nfs/dbraw/zinc/20/83/85/996208385.db2.gz XUXAFEXEFFMZNP-MZKUHISZSA-N 2 2 422.569 3.615 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483481343 996208396 /nfs/dbraw/zinc/20/83/96/996208396.db2.gz XUXAFEXEFFMZNP-MZKUHISZSA-N 2 2 422.569 3.615 20 0 HHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000475619160 996253439 /nfs/dbraw/zinc/25/34/39/996253439.db2.gz QAXNQXODQFILKN-UHFFFAOYSA-N 2 2 413.319 3.723 20 0 HHADLP Cc1cn2cc(NC(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC000483675021 996322394 /nfs/dbraw/zinc/32/23/94/996322394.db2.gz ZTCIZZZNDTWHKU-UHFFFAOYSA-N 2 2 421.545 3.836 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751165 996348015 /nfs/dbraw/zinc/34/80/15/996348015.db2.gz VQJPDTYBQYJUJK-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751165 996348019 /nfs/dbraw/zinc/34/80/19/996348019.db2.gz VQJPDTYBQYJUJK-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475751165 996348022 /nfs/dbraw/zinc/34/80/22/996348022.db2.gz VQJPDTYBQYJUJK-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475751165 996348026 /nfs/dbraw/zinc/34/80/26/996348026.db2.gz VQJPDTYBQYJUJK-HFZDXXHNSA-N 2 2 421.585 3.688 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cc(-c3ccccc3)ns2)([NH+]2CCCCC2)CC1 ZINC000475820966 996392926 /nfs/dbraw/zinc/39/29/26/996392926.db2.gz LINGKNURPODLOO-UHFFFAOYSA-N 2 2 413.591 3.882 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483825512 996411594 /nfs/dbraw/zinc/41/15/94/996411594.db2.gz XWCRYZQQWCVIKC-HYFFOGBASA-N 2 2 405.945 3.525 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483825512 996411596 /nfs/dbraw/zinc/41/15/96/996411596.db2.gz XWCRYZQQWCVIKC-HYFFOGBASA-N 2 2 405.945 3.525 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)CC1 ZINC000483929255 996473751 /nfs/dbraw/zinc/47/37/51/996473751.db2.gz PGHIKGMQUSHJPX-UHFFFAOYSA-N 2 2 418.557 3.827 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000484134486 996589824 /nfs/dbraw/zinc/58/98/24/996589824.db2.gz QMRLCVKTKKCBRT-VLCRHTCISA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000484134486 996589828 /nfs/dbraw/zinc/58/98/28/996589828.db2.gz QMRLCVKTKKCBRT-VLCRHTCISA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000484134483 996589954 /nfs/dbraw/zinc/58/99/54/996589954.db2.gz QMRLCVKTKKCBRT-NYVOZVTQSA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000484134483 996589959 /nfs/dbraw/zinc/58/99/59/996589959.db2.gz QMRLCVKTKKCBRT-NYVOZVTQSA-N 2 2 415.375 3.909 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141197 996594477 /nfs/dbraw/zinc/59/44/77/996594477.db2.gz WIJYRXKOJLBMQD-KSFYIVLOSA-N 2 2 404.938 3.645 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000484141197 996594485 /nfs/dbraw/zinc/59/44/85/996594485.db2.gz WIJYRXKOJLBMQD-KSFYIVLOSA-N 2 2 404.938 3.645 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1SC ZINC000484157230 996605366 /nfs/dbraw/zinc/60/53/66/996605366.db2.gz HDTTZKILKMEEEJ-YYWHXJBOSA-N 2 2 400.588 3.951 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1SC ZINC000484157230 996605369 /nfs/dbraw/zinc/60/53/69/996605369.db2.gz HDTTZKILKMEEEJ-YYWHXJBOSA-N 2 2 400.588 3.951 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000484159694 996607745 /nfs/dbraw/zinc/60/77/45/996607745.db2.gz LJLNMPXPGDHHGR-DJPFJPOOSA-N 2 2 418.965 3.891 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000484159694 996607747 /nfs/dbraw/zinc/60/77/47/996607747.db2.gz LJLNMPXPGDHHGR-DJPFJPOOSA-N 2 2 418.965 3.891 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162277 996609672 /nfs/dbraw/zinc/60/96/72/996609672.db2.gz KBMKLGCPTROYJG-XAUMDUMWSA-N 2 2 408.464 3.961 20 0 HHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162277 996609675 /nfs/dbraw/zinc/60/96/75/996609675.db2.gz KBMKLGCPTROYJG-XAUMDUMWSA-N 2 2 408.464 3.961 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000476157466 996642022 /nfs/dbraw/zinc/64/20/22/996642022.db2.gz OVAFYDWKVRSQGJ-HDICACEKSA-N 2 2 411.546 3.588 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000476157466 996642023 /nfs/dbraw/zinc/64/20/23/996642023.db2.gz OVAFYDWKVRSQGJ-HDICACEKSA-N 2 2 411.546 3.588 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000476168914 996650672 /nfs/dbraw/zinc/65/06/72/996650672.db2.gz UCAVTKSGCUKQII-XXBNENTESA-N 2 2 405.546 3.730 20 0 HHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476312088 996747969 /nfs/dbraw/zinc/74/79/69/996747969.db2.gz RNROFOBNEXRMON-OAHLLOKOSA-N 2 2 402.505 3.761 20 0 HHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476312088 996747974 /nfs/dbraw/zinc/74/79/74/996747974.db2.gz RNROFOBNEXRMON-OAHLLOKOSA-N 2 2 402.505 3.761 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476473526 996950932 /nfs/dbraw/zinc/95/09/32/996950932.db2.gz URZUQJKGRBJZOJ-RTWAWAEBSA-N 2 2 401.526 3.981 20 0 HHADLP CN(C(=O)c1coc2cc(F)ccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476473526 996950939 /nfs/dbraw/zinc/95/09/39/996950939.db2.gz URZUQJKGRBJZOJ-RTWAWAEBSA-N 2 2 401.526 3.981 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1)CC1CC1 ZINC000476561879 997056458 /nfs/dbraw/zinc/05/64/58/997056458.db2.gz BVHVJXZZHUWSHD-UHFFFAOYSA-N 2 2 418.532 3.984 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1)CC1CC1 ZINC000476561879 997056470 /nfs/dbraw/zinc/05/64/70/997056470.db2.gz BVHVJXZZHUWSHD-UHFFFAOYSA-N 2 2 418.532 3.984 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476575530 997074364 /nfs/dbraw/zinc/07/43/64/997074364.db2.gz XZULWVRKPCQGKS-MAUKXSAKSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476575530 997074371 /nfs/dbraw/zinc/07/43/71/997074371.db2.gz XZULWVRKPCQGKS-MAUKXSAKSA-N 2 2 412.484 3.650 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000476816729 997374356 /nfs/dbraw/zinc/37/43/56/997374356.db2.gz GHIBTNVMYVMSKZ-CQSZACIVSA-N 2 2 402.366 3.799 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485139755 997523675 /nfs/dbraw/zinc/52/36/75/997523675.db2.gz PZQLSEKRPWBFGH-REWPJTCUSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485139755 997523687 /nfs/dbraw/zinc/52/36/87/997523687.db2.gz PZQLSEKRPWBFGH-REWPJTCUSA-N 2 2 417.557 3.641 20 0 HHADLP CC[C@H](CN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000476954619 997570993 /nfs/dbraw/zinc/57/09/93/997570993.db2.gz RUCNEJSOMFEHBH-HXUWFJFHSA-N 2 2 400.611 3.770 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)CC1 ZINC000485301661 997707110 /nfs/dbraw/zinc/70/71/10/997707110.db2.gz CQYJTBLXNODGGM-QHCPKHFHSA-N 2 2 423.605 3.816 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)CC1 ZINC000485301659 997707142 /nfs/dbraw/zinc/70/71/42/997707142.db2.gz CQYJTBLXNODGGM-HSZRJFAPSA-N 2 2 423.605 3.816 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338235 997755842 /nfs/dbraw/zinc/75/58/42/997755842.db2.gz NMVDVQFYULGHFR-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338235 997755847 /nfs/dbraw/zinc/75/58/47/997755847.db2.gz NMVDVQFYULGHFR-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338235 997755852 /nfs/dbraw/zinc/75/58/52/997755852.db2.gz NMVDVQFYULGHFR-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338235 997755861 /nfs/dbraw/zinc/75/58/61/997755861.db2.gz NMVDVQFYULGHFR-JCTONOIOSA-N 2 2 411.977 3.962 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000477135665 997792164 /nfs/dbraw/zinc/79/21/64/997792164.db2.gz QCHFIUHBRQHHJB-JOCHJYFZSA-N 2 2 421.585 3.573 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477248679 997922737 /nfs/dbraw/zinc/92/27/37/997922737.db2.gz LTEXQSNRHBUODI-IBGZPJMESA-N 2 2 424.992 3.959 20 0 HHADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000477248679 997922748 /nfs/dbraw/zinc/92/27/48/997922748.db2.gz LTEXQSNRHBUODI-IBGZPJMESA-N 2 2 424.992 3.959 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4cc(-c5ccccc5)ccc43)CC2)CC1 ZINC000485495984 997950324 /nfs/dbraw/zinc/95/03/24/997950324.db2.gz QMIDFDXDBZAAEU-UHFFFAOYSA-N 2 2 418.585 3.984 20 0 HHADLP Cc1ccc(N2CCC(Nc3cc[nH+]c(N[C@H]4CCCO[C@H]4C(C)C)n3)CC2)[nH+]c1 ZINC000485976405 998418271 /nfs/dbraw/zinc/41/82/71/998418271.db2.gz QTOYYMUJNPLQGA-UGKGYDQZSA-N 2 2 410.566 3.876 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486255968 998679319 /nfs/dbraw/zinc/67/93/19/998679319.db2.gz WBBGEJDTAOZTJE-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486255968 998679326 /nfs/dbraw/zinc/67/93/26/998679326.db2.gz WBBGEJDTAOZTJE-YKSBVNFPSA-N 2 2 417.557 3.641 20 0 HHADLP CCc1cc(Br)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000477967346 998688135 /nfs/dbraw/zinc/68/81/35/998688135.db2.gz PXPRWISXYFXCTP-UHFFFAOYSA-N 2 2 411.388 3.501 20 0 HHADLP CCc1cc(Br)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477967346 998688139 /nfs/dbraw/zinc/68/81/39/998688139.db2.gz PXPRWISXYFXCTP-UHFFFAOYSA-N 2 2 411.388 3.501 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000477989243 998702182 /nfs/dbraw/zinc/70/21/82/998702182.db2.gz LUGVZXASGPDJRH-UHFFFAOYSA-N 2 2 409.496 3.784 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000477989243 998702186 /nfs/dbraw/zinc/70/21/86/998702186.db2.gz LUGVZXASGPDJRH-UHFFFAOYSA-N 2 2 409.496 3.784 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486330342 998714929 /nfs/dbraw/zinc/71/49/29/998714929.db2.gz DZNGIASMCWUEDM-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486330342 998714934 /nfs/dbraw/zinc/71/49/34/998714934.db2.gz DZNGIASMCWUEDM-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000478058625 998741278 /nfs/dbraw/zinc/74/12/78/998741278.db2.gz ZVEZZTRUWSFMMD-SFHVURJKSA-N 2 2 403.615 3.633 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000478058625 998741281 /nfs/dbraw/zinc/74/12/81/998741281.db2.gz ZVEZZTRUWSFMMD-SFHVURJKSA-N 2 2 403.615 3.633 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000478254798 998848071 /nfs/dbraw/zinc/84/80/71/998848071.db2.gz JXFXNTZRGMIOMH-DHIUTWEWSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000478254798 998848075 /nfs/dbraw/zinc/84/80/75/998848075.db2.gz JXFXNTZRGMIOMH-DHIUTWEWSA-N 2 2 410.558 3.615 20 0 HHADLP CCOc1c(Cl)cccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000486963599 999019941 /nfs/dbraw/zinc/01/99/41/999019941.db2.gz GATOSMISBXEABH-UHFFFAOYSA-N 2 2 404.938 3.740 20 0 HHADLP Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000487108609 999064769 /nfs/dbraw/zinc/06/47/69/999064769.db2.gz LJWIUMNKZBGMCK-YJBOKZPZSA-N 2 2 422.495 3.904 20 0 HHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479055353 999270762 /nfs/dbraw/zinc/27/07/62/999270762.db2.gz FGZZOLXXPSKPBT-LBPRGKRZSA-N 2 2 417.362 3.579 20 0 HHADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000479291475 999368361 /nfs/dbraw/zinc/36/83/61/999368361.db2.gz XLLZMUWOJXRVKA-NRFANRHFSA-N 2 2 403.364 3.975 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479335946 999391412 /nfs/dbraw/zinc/39/14/12/999391412.db2.gz NRCWXBRDOSMNEG-IBGZPJMESA-N 2 2 415.603 3.574 20 0 HHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000479375980 999411024 /nfs/dbraw/zinc/41/10/24/999411024.db2.gz DKUDXSKYRZRGEA-HLIPFELVSA-N 2 2 422.976 3.884 20 0 HHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000479556272 999475824 /nfs/dbraw/zinc/47/58/24/999475824.db2.gz QPYPLGWLSPDWDZ-UHFFFAOYSA-N 2 2 416.569 3.794 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000488418707 999481654 /nfs/dbraw/zinc/48/16/54/999481654.db2.gz JBDBCCOMKIWXBJ-UHFFFAOYSA-N 2 2 420.529 3.835 20 0 HHADLP CC[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488442318 999488299 /nfs/dbraw/zinc/48/82/99/999488299.db2.gz UIYXDOKTTMBZSL-UHFFFAOYSA-N 2 2 409.530 3.664 20 0 HHADLP CC[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488442318 999488300 /nfs/dbraw/zinc/48/83/00/999488300.db2.gz UIYXDOKTTMBZSL-UHFFFAOYSA-N 2 2 409.530 3.664 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785520 999607159 /nfs/dbraw/zinc/60/71/59/999607159.db2.gz NRDYNTDRVXWDBL-RTWAWAEBSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000488785520 999607162 /nfs/dbraw/zinc/60/71/62/999607162.db2.gz NRDYNTDRVXWDBL-RTWAWAEBSA-N 2 2 406.014 3.987 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144640 999711259 /nfs/dbraw/zinc/71/12/59/999711259.db2.gz ABCDHLSLZOYKFZ-FSSWDIPSSA-N 2 2 413.606 3.521 20 0 HHADLP COc1cccc2c1[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000489144640 999711261 /nfs/dbraw/zinc/71/12/61/999711261.db2.gz ABCDHLSLZOYKFZ-FSSWDIPSSA-N 2 2 413.606 3.521 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000489236805 999728149 /nfs/dbraw/zinc/72/81/49/999728149.db2.gz DGFBBDSCOKRBLL-UHFFFAOYSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278697 999735627 /nfs/dbraw/zinc/73/56/27/999735627.db2.gz OUROQDJYYRFVBV-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000489278697 999735628 /nfs/dbraw/zinc/73/56/28/999735628.db2.gz OUROQDJYYRFVBV-GBXCKJPGSA-N 2 2 417.557 3.641 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000489420547 999763621 /nfs/dbraw/zinc/76/36/21/999763621.db2.gz HIILTEOHUBROTE-GOSISDBHSA-N 2 2 412.603 3.655 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000489420547 999763624 /nfs/dbraw/zinc/76/36/24/999763624.db2.gz HIILTEOHUBROTE-GOSISDBHSA-N 2 2 412.603 3.655 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488611 999776946 /nfs/dbraw/zinc/77/69/46/999776946.db2.gz ATWYLBVJEFGHJK-CVDCTZTESA-N 2 2 403.530 3.582 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000489488611 999776947 /nfs/dbraw/zinc/77/69/47/999776947.db2.gz ATWYLBVJEFGHJK-CVDCTZTESA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495060 999778063 /nfs/dbraw/zinc/77/80/63/999778063.db2.gz WBVDHFMPRASUTD-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c(F)c1 ZINC000489495060 999778064 /nfs/dbraw/zinc/77/80/64/999778064.db2.gz WBVDHFMPRASUTD-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000489557547 999791799 /nfs/dbraw/zinc/79/17/99/999791799.db2.gz MWHGGDJINVWPEA-KBXCAEBGSA-N 2 2 407.327 3.658 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000489557547 999791800 /nfs/dbraw/zinc/79/18/00/999791800.db2.gz MWHGGDJINVWPEA-KBXCAEBGSA-N 2 2 407.327 3.658 20 0 HHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489632707 999806790 /nfs/dbraw/zinc/80/67/90/999806790.db2.gz IKAGIDKHCYRCQT-UHFFFAOYSA-N 2 2 404.562 3.623 20 0 HHADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489632707 999806791 /nfs/dbraw/zinc/80/67/91/999806791.db2.gz IKAGIDKHCYRCQT-UHFFFAOYSA-N 2 2 404.562 3.623 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+](C)C ZINC000480597490 999836753 /nfs/dbraw/zinc/83/67/53/999836753.db2.gz WMXADMGKERJGRV-AUSIDOKSSA-N 2 2 405.546 3.730 20 0 HHADLP COc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC000490131060 999897763 /nfs/dbraw/zinc/89/77/63/999897763.db2.gz SDKPFWJTHXPSCH-VWLOTQADSA-N 2 2 420.532 3.860 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000491022349 1000034925 /nfs/dbraw/zinc/03/49/25/1000034925.db2.gz PTLRIFAXOOWILS-UTKZUKDTSA-N 2 2 402.380 3.764 20 0 HHADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000491026935 1000035863 /nfs/dbraw/zinc/03/58/63/1000035863.db2.gz ZTWLUDVEEIULKY-IERDGZPVSA-N 2 2 420.370 3.903 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061700 1000041111 /nfs/dbraw/zinc/04/11/11/1000041111.db2.gz NYCHCTOUGGGYJI-NHCUHLMSSA-N 2 2 410.606 3.803 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061700 1000041113 /nfs/dbraw/zinc/04/11/13/1000041113.db2.gz NYCHCTOUGGGYJI-NHCUHLMSSA-N 2 2 410.606 3.803 20 0 HHADLP CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+](C)C)cc1 ZINC000492021599 1000105262 /nfs/dbraw/zinc/10/52/62/1000105262.db2.gz MLKWIXGQVCBSSO-OAQYLSRUSA-N 2 2 422.533 3.538 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000492198037 1000115007 /nfs/dbraw/zinc/11/50/07/1000115007.db2.gz UXMRPCRYKPTRMV-UHFFFAOYSA-N 2 2 418.545 3.880 20 0 HHADLP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492949062 1000150781 /nfs/dbraw/zinc/15/07/81/1000150781.db2.gz FLWHXLGHFHXIFW-CQSZACIVSA-N 2 2 412.365 3.674 20 0 HHADLP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492949062 1000150782 /nfs/dbraw/zinc/15/07/82/1000150782.db2.gz FLWHXLGHFHXIFW-CQSZACIVSA-N 2 2 412.365 3.674 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c2ccccc2C1 ZINC000493276453 1000166461 /nfs/dbraw/zinc/16/64/61/1000166461.db2.gz JQUPHMUNYIKBNU-NLFFAJNJSA-N 2 2 421.585 3.970 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000504474967 1000224774 /nfs/dbraw/zinc/22/47/74/1000224774.db2.gz HWZNOJDSABNWAO-LJQANCHMSA-N 2 2 408.384 3.575 20 0 HHADLP C/C(=C/c1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293689 1000416692 /nfs/dbraw/zinc/41/66/92/1000416692.db2.gz RNTNOSVDWQFPSL-FQEQIMQSSA-N 2 2 421.585 3.559 20 0 HHADLP C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000494293689 1000416699 /nfs/dbraw/zinc/41/66/99/1000416699.db2.gz RNTNOSVDWQFPSL-FQEQIMQSSA-N 2 2 421.585 3.559 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494436144 1000490902 /nfs/dbraw/zinc/49/09/02/1000490902.db2.gz PICYPFPROGFZGN-MZYLBHOOSA-N 2 2 407.562 3.675 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494436144 1000490908 /nfs/dbraw/zinc/49/09/08/1000490908.db2.gz PICYPFPROGFZGN-MZYLBHOOSA-N 2 2 407.562 3.675 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000494774042 1000646987 /nfs/dbraw/zinc/64/69/87/1000646987.db2.gz WVSGLDKWNFYZFB-UHFFFAOYSA-N 2 2 412.553 3.660 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000494774042 1000646989 /nfs/dbraw/zinc/64/69/89/1000646989.db2.gz WVSGLDKWNFYZFB-UHFFFAOYSA-N 2 2 412.553 3.660 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505339981 1000712662 /nfs/dbraw/zinc/71/26/62/1000712662.db2.gz QTTIQTCFRZDKRK-PXNSSMCTSA-N 2 2 422.411 3.776 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126023 1000864228 /nfs/dbraw/zinc/86/42/28/1000864228.db2.gz FBHYFBPGLGDDKV-CDMIOBSGSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000495126023 1000864246 /nfs/dbraw/zinc/86/42/46/1000864246.db2.gz FBHYFBPGLGDDKV-CDMIOBSGSA-N 2 2 402.945 3.953 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@@H]21 ZINC000505624272 1000940177 /nfs/dbraw/zinc/94/01/77/1000940177.db2.gz WQFPSNGUWKXWPT-YZGWKJHDSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@@H]21 ZINC000505624272 1000940183 /nfs/dbraw/zinc/94/01/83/1000940183.db2.gz WQFPSNGUWKXWPT-YZGWKJHDSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@H]21 ZINC000505624271 1000940277 /nfs/dbraw/zinc/94/02/77/1000940277.db2.gz WQFPSNGUWKXWPT-RLLQIKCJSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC[C@H]21 ZINC000505624271 1000940282 /nfs/dbraw/zinc/94/02/82/1000940282.db2.gz WQFPSNGUWKXWPT-RLLQIKCJSA-N 2 2 420.395 3.529 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000495786844 1001076136 /nfs/dbraw/zinc/07/61/36/1001076136.db2.gz BTZWWNWZDSQSCX-UHFFFAOYSA-N 2 2 409.574 3.607 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000495786844 1001076143 /nfs/dbraw/zinc/07/61/43/1001076143.db2.gz BTZWWNWZDSQSCX-UHFFFAOYSA-N 2 2 409.574 3.607 20 0 HHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2n[nH]c(C)c2c1 ZINC000506011171 1001161053 /nfs/dbraw/zinc/16/10/53/1001161053.db2.gz YZVNCQVPAODCMB-UHFFFAOYSA-N 2 2 404.518 3.954 20 0 HHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2n[nH]c(C)c2c1 ZINC000506011171 1001161058 /nfs/dbraw/zinc/16/10/58/1001161058.db2.gz YZVNCQVPAODCMB-UHFFFAOYSA-N 2 2 404.518 3.954 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821457 1001233240 /nfs/dbraw/zinc/23/32/40/1001233240.db2.gz GMQSIPFWZZIAKX-MSOLQXFVSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821457 1001233245 /nfs/dbraw/zinc/23/32/45/1001233245.db2.gz GMQSIPFWZZIAKX-MSOLQXFVSA-N 2 2 405.612 3.604 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468596 1001382949 /nfs/dbraw/zinc/38/29/49/1001382949.db2.gz GVZVETDLFBESMY-WTIAFYNJSA-N 2 2 413.512 3.738 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468596 1001382953 /nfs/dbraw/zinc/38/29/53/1001382953.db2.gz GVZVETDLFBESMY-WTIAFYNJSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468596 1001382958 /nfs/dbraw/zinc/38/29/58/1001382958.db2.gz GVZVETDLFBESMY-WTIAFYNJSA-N 2 2 413.512 3.738 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000497468596 1001382963 /nfs/dbraw/zinc/38/29/63/1001382963.db2.gz GVZVETDLFBESMY-WTIAFYNJSA-N 2 2 413.512 3.738 20 0 HHADLP COc1cccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cs2)c1 ZINC000497507030 1001409003 /nfs/dbraw/zinc/40/90/03/1001409003.db2.gz HKPGOEKBUYNQLX-WCRBZPEASA-N 2 2 412.603 3.562 20 0 HHADLP COc1cccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cs2)c1 ZINC000497507030 1001409006 /nfs/dbraw/zinc/40/90/06/1001409006.db2.gz HKPGOEKBUYNQLX-WCRBZPEASA-N 2 2 412.603 3.562 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000506461434 1001423633 /nfs/dbraw/zinc/42/36/33/1001423633.db2.gz VSEIVYNHZFRWFG-NFBKMPQASA-N 2 2 406.574 3.702 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3cc4ccccc4o3)c3cccnc3)cn2)CC1 ZINC000497859080 1001539546 /nfs/dbraw/zinc/53/95/46/1001539546.db2.gz QQNWMOKTVJXTTP-RUZDIDTESA-N 2 2 413.525 3.854 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922324 1001595058 /nfs/dbraw/zinc/59/50/58/1001595058.db2.gz OEYAYRUWMPMIFY-LEWJYISDSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922324 1001595061 /nfs/dbraw/zinc/59/50/61/1001595061.db2.gz OEYAYRUWMPMIFY-LEWJYISDSA-N 2 2 409.578 3.727 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)CC2)[nH+]c1 ZINC000498134277 1001656495 /nfs/dbraw/zinc/65/64/95/1001656495.db2.gz DUSPISIFBQXELH-CVDCTZTESA-N 2 2 409.578 3.658 20 0 HHADLP C[NH+](C)C1(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCCCC1 ZINC000507065045 1001788407 /nfs/dbraw/zinc/78/84/07/1001788407.db2.gz OJCHSVCVMZTBGY-IBGZPJMESA-N 2 2 401.599 3.763 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507065393 1001788505 /nfs/dbraw/zinc/78/85/05/1001788505.db2.gz QXBXSMBPCVQQSU-QFIPXVFZSA-N 2 2 421.589 3.904 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000498406731 1001834357 /nfs/dbraw/zinc/83/43/57/1001834357.db2.gz CZDWGEUTPYIHKE-HXUWFJFHSA-N 2 2 404.986 3.747 20 0 HHADLP CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000498416317 1001844859 /nfs/dbraw/zinc/84/48/59/1001844859.db2.gz YVVXOYYEKJEZML-JOCHJYFZSA-N 2 2 416.610 3.738 20 0 HHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185425 1001875489 /nfs/dbraw/zinc/87/54/89/1001875489.db2.gz XQOJSSDCIPHOFF-PMACEKPBSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185425 1001875468 /nfs/dbraw/zinc/87/54/68/1001875468.db2.gz XQOJSSDCIPHOFF-PMACEKPBSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507196815 1001883726 /nfs/dbraw/zinc/88/37/26/1001883726.db2.gz NZHZMRHSZWDVDV-FPOVZHCZSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507196815 1001883712 /nfs/dbraw/zinc/88/37/12/1001883712.db2.gz NZHZMRHSZWDVDV-FPOVZHCZSA-N 2 2 409.578 3.629 20 0 HHADLP C[N@@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000507305583 1001986804 /nfs/dbraw/zinc/98/68/04/1001986804.db2.gz OLTOBSJFKJIOAQ-UHFFFAOYSA-N 2 2 417.553 3.785 20 0 HHADLP C[N@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000507305583 1001986794 /nfs/dbraw/zinc/98/67/94/1001986794.db2.gz OLTOBSJFKJIOAQ-UHFFFAOYSA-N 2 2 417.553 3.785 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000498780303 1002165482 /nfs/dbraw/zinc/16/54/82/1002165482.db2.gz ORUWGYUUMCWKSQ-UHFFFAOYSA-N 2 2 401.595 3.744 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000498780303 1002165488 /nfs/dbraw/zinc/16/54/88/1002165488.db2.gz ORUWGYUUMCWKSQ-UHFFFAOYSA-N 2 2 401.595 3.744 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)CC1 ZINC000507794232 1002348902 /nfs/dbraw/zinc/34/89/02/1002348902.db2.gz LMGIMHKXGLENBM-UHFFFAOYSA-N 2 2 411.546 3.838 20 0 HHADLP Cc1cccc(CN(CC(C)C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000508561179 1003030774 /nfs/dbraw/zinc/03/07/74/1003030774.db2.gz PGAPMRZBIVLRQL-UHFFFAOYSA-N 2 2 400.611 3.721 20 0 HHADLP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617787 1003072014 /nfs/dbraw/zinc/07/20/14/1003072014.db2.gz ZINOXKIVJSWDNV-SVMVAKDDSA-N 2 2 422.013 3.554 20 0 HHADLP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617787 1003072008 /nfs/dbraw/zinc/07/20/08/1003072008.db2.gz ZINOXKIVJSWDNV-SVMVAKDDSA-N 2 2 422.013 3.554 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508633066 1003083357 /nfs/dbraw/zinc/08/33/57/1003083357.db2.gz APZJLZILKINCKN-HNNXBMFYSA-N 2 2 402.336 3.913 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000508633066 1003083347 /nfs/dbraw/zinc/08/33/47/1003083347.db2.gz APZJLZILKINCKN-HNNXBMFYSA-N 2 2 402.336 3.913 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790290 1003125691 /nfs/dbraw/zinc/12/56/91/1003125691.db2.gz CQSZAVWYBSKBMB-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000499790290 1003125699 /nfs/dbraw/zinc/12/56/99/1003125699.db2.gz CQSZAVWYBSKBMB-LEWJYISDSA-N 2 2 417.557 3.736 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508970543 1003440619 /nfs/dbraw/zinc/44/06/19/1003440619.db2.gz GAJJTNQESVCVIW-UXHICEINSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508970543 1003440628 /nfs/dbraw/zinc/44/06/28/1003440628.db2.gz GAJJTNQESVCVIW-UXHICEINSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000508970545 1003441375 /nfs/dbraw/zinc/44/13/75/1003441375.db2.gz GAJJTNQESVCVIW-VQTJNVASSA-N 2 2 414.585 3.791 20 0 HHADLP CN(C(=O)NCC1CCC(F)(F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000508970545 1003441381 /nfs/dbraw/zinc/44/13/81/1003441381.db2.gz GAJJTNQESVCVIW-VQTJNVASSA-N 2 2 414.585 3.791 20 0 HHADLP FC(F)(F)c1ccn(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000509007181 1003478510 /nfs/dbraw/zinc/47/85/10/1003478510.db2.gz FLAJKIZKQJAYFE-UHFFFAOYSA-N 2 2 421.511 3.751 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cn4cc(C)ccc4n3)CC2)c1C ZINC000509037643 1003507597 /nfs/dbraw/zinc/50/75/97/1003507597.db2.gz JSQQAQWKAFLMRU-UHFFFAOYSA-N 2 2 407.562 3.760 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cn4cc(C)ccc4n3)CC2)c1C ZINC000509037643 1003507608 /nfs/dbraw/zinc/50/76/08/1003507608.db2.gz JSQQAQWKAFLMRU-UHFFFAOYSA-N 2 2 407.562 3.760 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511830134 1003802328 /nfs/dbraw/zinc/80/23/28/1003802328.db2.gz YLKCIOMWVGYOAY-LJQANCHMSA-N 2 2 414.431 3.895 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000511830134 1003802341 /nfs/dbraw/zinc/80/23/41/1003802341.db2.gz YLKCIOMWVGYOAY-LJQANCHMSA-N 2 2 414.431 3.895 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000500685747 1003893387 /nfs/dbraw/zinc/89/33/87/1003893387.db2.gz PRPSRWGSFBJRGA-PMACEKPBSA-N 2 2 423.605 3.739 20 0 HHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512053226 1003984437 /nfs/dbraw/zinc/98/44/37/1003984437.db2.gz PKVLBAFBSYVRKQ-RTWAWAEBSA-N 2 2 422.495 3.749 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)sc1Br ZINC000512122437 1004038619 /nfs/dbraw/zinc/03/86/19/1004038619.db2.gz LPRDPVGGYFPCQV-RHSMWYFYSA-N 2 2 409.393 3.889 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)sc1Br ZINC000512122437 1004038628 /nfs/dbraw/zinc/03/86/28/1004038628.db2.gz LPRDPVGGYFPCQV-RHSMWYFYSA-N 2 2 409.393 3.889 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)s1 ZINC000512143208 1004054224 /nfs/dbraw/zinc/05/42/24/1004054224.db2.gz DTVLCNLEOMTCRL-IBGZPJMESA-N 2 2 423.026 3.800 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501009293 1004113997 /nfs/dbraw/zinc/11/39/97/1004113997.db2.gz BBYMBCNILSXCCE-IBGZPJMESA-N 2 2 401.942 3.673 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501031156 1004134672 /nfs/dbraw/zinc/13/46/72/1004134672.db2.gz XGPNPECQTOYZKB-PXNSSMCTSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242038 1004145300 /nfs/dbraw/zinc/14/53/00/1004145300.db2.gz IHNPEBFRYAXFQD-YADARESESA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512242038 1004145304 /nfs/dbraw/zinc/14/53/04/1004145304.db2.gz IHNPEBFRYAXFQD-YADARESESA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512242038 1004145308 /nfs/dbraw/zinc/14/53/08/1004145308.db2.gz IHNPEBFRYAXFQD-YADARESESA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512242038 1004145313 /nfs/dbraw/zinc/14/53/13/1004145313.db2.gz IHNPEBFRYAXFQD-YADARESESA-N 2 2 409.599 3.619 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000509893273 1004186913 /nfs/dbraw/zinc/18/69/13/1004186913.db2.gz JTDPHWCRBRVZIG-KHQYNDFOSA-N 2 2 422.013 3.999 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000509893273 1004186917 /nfs/dbraw/zinc/18/69/17/1004186917.db2.gz JTDPHWCRBRVZIG-KHQYNDFOSA-N 2 2 422.013 3.999 20 0 HHADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512355232 1004241935 /nfs/dbraw/zinc/24/19/35/1004241935.db2.gz UBTICKSSPSFFTP-UHFFFAOYSA-N 2 2 401.938 3.645 20 0 HHADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512355232 1004241940 /nfs/dbraw/zinc/24/19/40/1004241940.db2.gz UBTICKSSPSFFTP-UHFFFAOYSA-N 2 2 401.938 3.645 20 0 HHADLP Fc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481759 1004334421 /nfs/dbraw/zinc/33/44/21/1004334421.db2.gz XZDMKPNXQVMVJS-QFIPXVFZSA-N 2 2 404.533 3.766 20 0 HHADLP Fc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ncccc12 ZINC000512481759 1004334426 /nfs/dbraw/zinc/33/44/26/1004334426.db2.gz XZDMKPNXQVMVJS-QFIPXVFZSA-N 2 2 404.533 3.766 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436421 /nfs/dbraw/zinc/43/64/21/1004436421.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 3 2 419.613 3.909 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436427 /nfs/dbraw/zinc/43/64/27/1004436427.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 3 2 419.613 3.909 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4cccc5cccnc54)C3)CC2)nc1 ZINC000512664067 1004474492 /nfs/dbraw/zinc/47/44/92/1004474492.db2.gz VKHJRLTVIZHHHL-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)nc1 ZINC000512664067 1004474498 /nfs/dbraw/zinc/47/44/98/1004474498.db2.gz VKHJRLTVIZHHHL-OAQYLSRUSA-N 2 2 401.558 3.664 20 0 HHADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000510430533 1004561788 /nfs/dbraw/zinc/56/17/88/1004561788.db2.gz PFALOUXHCFSYBX-YKSBVNFPSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000510430533 1004561797 /nfs/dbraw/zinc/56/17/97/1004561797.db2.gz PFALOUXHCFSYBX-YKSBVNFPSA-N 2 2 407.558 3.738 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000501786076 1004728137 /nfs/dbraw/zinc/72/81/37/1004728137.db2.gz PEWQAXMKEKOMOG-UHFFFAOYSA-N 2 2 412.534 3.652 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000501786076 1004728144 /nfs/dbraw/zinc/72/81/44/1004728144.db2.gz PEWQAXMKEKOMOG-UHFFFAOYSA-N 2 2 412.534 3.652 20 0 HHADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000501788058 1004729840 /nfs/dbraw/zinc/72/98/40/1004729840.db2.gz CRVNFTVLEBMXMF-UHFFFAOYSA-N 2 2 418.582 3.865 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501822539 1004758609 /nfs/dbraw/zinc/75/86/09/1004758609.db2.gz CQMZABWCCGVXRR-JOCHJYFZSA-N 2 2 407.562 3.708 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)sc1Br ZINC000513011760 1004758768 /nfs/dbraw/zinc/75/87/68/1004758768.db2.gz JGHLUEGNPTUYIE-FFHGMXDLSA-N 2 2 414.413 3.553 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)sc1Br ZINC000513011760 1004758772 /nfs/dbraw/zinc/75/87/72/1004758772.db2.gz JGHLUEGNPTUYIE-FFHGMXDLSA-N 2 2 414.413 3.553 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000513041945 1004773840 /nfs/dbraw/zinc/77/38/40/1004773840.db2.gz UGQZSBRNUYEROT-FRIKZZABSA-N 2 2 418.601 3.625 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000513041945 1004773842 /nfs/dbraw/zinc/77/38/42/1004773842.db2.gz UGQZSBRNUYEROT-FRIKZZABSA-N 2 2 418.601 3.625 20 0 HHADLP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000510974860 1004961965 /nfs/dbraw/zinc/96/19/65/1004961965.db2.gz HSKSFFJGSYYDAG-OAQYLSRUSA-N 2 2 419.497 3.643 20 0 HHADLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000513547773 1005016882 /nfs/dbraw/zinc/01/68/82/1005016882.db2.gz FMKDGISMMZFUIX-UHFFFAOYSA-N 2 2 418.965 3.816 20 0 HHADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000513547773 1005016888 /nfs/dbraw/zinc/01/68/88/1005016888.db2.gz FMKDGISMMZFUIX-UHFFFAOYSA-N 2 2 418.965 3.816 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000513684660 1005081496 /nfs/dbraw/zinc/08/14/96/1005081496.db2.gz UBFOITSOOYSGIQ-UHFFFAOYSA-N 2 2 412.603 3.576 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511283916 1005106994 /nfs/dbraw/zinc/10/69/94/1005106994.db2.gz FWDIIJKIDBCJOB-CZTZKLFOSA-N 2 2 401.620 3.546 20 0 HHADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511283916 1005106996 /nfs/dbraw/zinc/10/69/96/1005106996.db2.gz FWDIIJKIDBCJOB-CZTZKLFOSA-N 2 2 401.620 3.546 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502572727 1005124817 /nfs/dbraw/zinc/12/48/17/1005124817.db2.gz QNABSINUYSJOEF-FCHUYYIVSA-N 2 2 417.569 3.584 20 0 HHADLP CN(C(=O)CCC(=O)c1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502572727 1005124818 /nfs/dbraw/zinc/12/48/18/1005124818.db2.gz QNABSINUYSJOEF-FCHUYYIVSA-N 2 2 417.569 3.584 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502758193 1005203812 /nfs/dbraw/zinc/20/38/12/1005203812.db2.gz DEADJAODBIFKRT-RDABAPPSSA-N 2 2 413.610 3.513 20 0 HHADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000502793284 1005219872 /nfs/dbraw/zinc/21/98/72/1005219872.db2.gz FOTCDSBVFYIJCN-HXUWFJFHSA-N 2 2 417.557 3.834 20 0 HHADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000502793284 1005219878 /nfs/dbraw/zinc/21/98/78/1005219878.db2.gz FOTCDSBVFYIJCN-HXUWFJFHSA-N 2 2 417.557 3.834 20 0 HHADLP CCC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514031929 1005235797 /nfs/dbraw/zinc/23/57/97/1005235797.db2.gz ZOTCIYKGXDPURG-JOCHJYFZSA-N 2 2 421.589 3.652 20 0 HHADLP CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514132398 1005281748 /nfs/dbraw/zinc/28/17/48/1005281748.db2.gz KKPUHYLATQMVDE-HXUWFJFHSA-N 2 2 409.574 3.686 20 0 HHADLP CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514132398 1005281754 /nfs/dbraw/zinc/28/17/54/1005281754.db2.gz KKPUHYLATQMVDE-HXUWFJFHSA-N 2 2 409.574 3.686 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000514220477 1005319228 /nfs/dbraw/zinc/31/92/28/1005319228.db2.gz XWHIMCGITDEEFP-QFIPXVFZSA-N 2 2 405.546 3.625 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000503062508 1005333180 /nfs/dbraw/zinc/33/31/80/1005333180.db2.gz JCBPRSQLCSDILY-UHFFFAOYSA-N 2 2 411.575 3.968 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000503062508 1005333186 /nfs/dbraw/zinc/33/31/86/1005333186.db2.gz JCBPRSQLCSDILY-UHFFFAOYSA-N 2 2 411.575 3.968 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503095238 1005346230 /nfs/dbraw/zinc/34/62/30/1005346230.db2.gz MEHZCXMHHUXOJN-PBEJRMEISA-N 2 2 406.534 3.596 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503095238 1005346233 /nfs/dbraw/zinc/34/62/33/1005346233.db2.gz MEHZCXMHHUXOJN-PBEJRMEISA-N 2 2 406.534 3.596 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144841 1005356466 /nfs/dbraw/zinc/35/64/66/1005356466.db2.gz ILSJHJKHSVSEAZ-ZEQRLZLVSA-N 2 2 422.573 3.571 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)[NH+]2CCCCC2)cc1 ZINC000503144841 1005356470 /nfs/dbraw/zinc/35/64/70/1005356470.db2.gz ILSJHJKHSVSEAZ-ZEQRLZLVSA-N 2 2 422.573 3.571 20 0 HHADLP Brc1ccc2[nH+]ccc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)c2c1 ZINC000503245973 1005376041 /nfs/dbraw/zinc/37/60/41/1005376041.db2.gz MDYFVBQVRNQVSV-OAQYLSRUSA-N 2 2 412.331 3.905 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N[C@H]1CCCc2ccccc21 ZINC000503364431 1005398764 /nfs/dbraw/zinc/39/87/64/1005398764.db2.gz CXTQCJKQHHWZAV-OFNKIYASSA-N 2 2 406.574 3.983 20 0 HHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N[C@H]1CCCc2ccccc21 ZINC000503364431 1005398768 /nfs/dbraw/zinc/39/87/68/1005398768.db2.gz CXTQCJKQHHWZAV-OFNKIYASSA-N 2 2 406.574 3.983 20 0 HHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000503375299 1005401509 /nfs/dbraw/zinc/40/15/09/1005401509.db2.gz KRAUTLNNKKACOR-OAQYLSRUSA-N 2 2 419.577 3.923 20 0 HHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCCCn3nnc(-c4ccccc4)n3)C2)n2c1CCCC2 ZINC000503375299 1005401512 /nfs/dbraw/zinc/40/15/12/1005401512.db2.gz KRAUTLNNKKACOR-OAQYLSRUSA-N 2 2 419.577 3.923 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379005 1005402682 /nfs/dbraw/zinc/40/26/82/1005402682.db2.gz UIKSGEVQCBWGAU-WMZOPIPTSA-N 2 2 416.516 3.897 20 0 HHADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379005 1005402683 /nfs/dbraw/zinc/40/26/83/1005402683.db2.gz UIKSGEVQCBWGAU-WMZOPIPTSA-N 2 2 416.516 3.897 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C2)CC1 ZINC000503383616 1005404226 /nfs/dbraw/zinc/40/42/26/1005404226.db2.gz FXLPIUBCATUEQD-HSZRJFAPSA-N 2 2 409.578 3.585 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503468057 1005429600 /nfs/dbraw/zinc/42/96/00/1005429600.db2.gz HWPLSNJMOBSVSD-OAQYLSRUSA-N 2 2 409.578 3.729 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000503495332 1005436749 /nfs/dbraw/zinc/43/67/49/1005436749.db2.gz FRVYYRBFAKPTTG-FQEVSTJZSA-N 2 2 403.958 3.966 20 0 HHADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2ccccc2s1 ZINC000504238281 1005579886 /nfs/dbraw/zinc/57/98/86/1005579886.db2.gz ZMHCAUBOJOWZIV-INIZCTEOSA-N 2 2 400.592 3.820 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167310 /nfs/dbraw/zinc/16/73/10/1006167310.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 3 2 418.629 3.760 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167319 /nfs/dbraw/zinc/16/73/19/1006167319.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 3 2 418.629 3.760 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205337 1006197563 /nfs/dbraw/zinc/19/75/63/1006197563.db2.gz CCERGQPPQSPHCA-FGZHOGPDSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205337 1006197567 /nfs/dbraw/zinc/19/75/67/1006197567.db2.gz CCERGQPPQSPHCA-FGZHOGPDSA-N 2 2 402.583 3.886 20 0 HHADLP C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236489 1006241621 /nfs/dbraw/zinc/24/16/21/1006241621.db2.gz RODUGMBYICMGHL-APWZRJJASA-N 2 2 419.932 3.784 20 0 HHADLP C[N@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236489 1006241631 /nfs/dbraw/zinc/24/16/31/1006241631.db2.gz RODUGMBYICMGHL-APWZRJJASA-N 2 2 419.932 3.784 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360479 1006324808 /nfs/dbraw/zinc/32/48/08/1006324808.db2.gz NDYNJUQUSKGHLZ-KNXBSLHKSA-N 2 2 423.548 3.528 20 0 HHADLP C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360479 1006324822 /nfs/dbraw/zinc/32/48/22/1006324822.db2.gz NDYNJUQUSKGHLZ-KNXBSLHKSA-N 2 2 423.548 3.528 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534362365 1006328368 /nfs/dbraw/zinc/32/83/68/1006328368.db2.gz DGDQGYRATRINES-QZTJIDSGSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534362365 1006328380 /nfs/dbraw/zinc/32/83/80/1006328380.db2.gz DGDQGYRATRINES-QZTJIDSGSA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375537 1006343733 /nfs/dbraw/zinc/34/37/33/1006343733.db2.gz IUTCKHLWSGROSC-ZWKOTPCHSA-N 2 2 413.031 3.880 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375537 1006343742 /nfs/dbraw/zinc/34/37/42/1006343742.db2.gz IUTCKHLWSGROSC-ZWKOTPCHSA-N 2 2 413.031 3.880 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000531709584 1006369438 /nfs/dbraw/zinc/36/94/38/1006369438.db2.gz XZWPORWOWOKOQF-CPJSRVTESA-N 3 2 403.574 3.820 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000531719355 1006377560 /nfs/dbraw/zinc/37/75/60/1006377560.db2.gz ZFDJTTADLVFBLY-KRWDZBQOSA-N 2 2 410.002 3.556 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000531719685 1006377812 /nfs/dbraw/zinc/37/78/12/1006377812.db2.gz BDMDIQLKFNWYTN-OAHLLOKOSA-N 2 2 415.500 3.902 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720729 1006378677 /nfs/dbraw/zinc/37/86/77/1006378677.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720729 1006378688 /nfs/dbraw/zinc/37/86/88/1006378688.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720729 1006378698 /nfs/dbraw/zinc/37/86/98/1006378698.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720729 1006378704 /nfs/dbraw/zinc/37/87/04/1006378704.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720729 1006378711 /nfs/dbraw/zinc/37/87/11/1006378711.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720729 1006378724 /nfs/dbraw/zinc/37/87/24/1006378724.db2.gz BMKWXBWBRRDECB-MYCYEZBNSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1 ZINC000531722457 1006379698 /nfs/dbraw/zinc/37/96/98/1006379698.db2.gz FKOKWZSNXPEEAE-SCWSEQNSSA-N 2 2 403.364 3.983 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)cc1 ZINC000531722457 1006379712 /nfs/dbraw/zinc/37/97/12/1006379712.db2.gz FKOKWZSNXPEEAE-SCWSEQNSSA-N 2 2 403.364 3.983 20 0 HHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000531759590 1006403323 /nfs/dbraw/zinc/40/33/23/1006403323.db2.gz KDTSPDVAORPQNQ-YPAWHYETSA-N 2 2 422.997 3.755 20 0 HHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000531759589 1006403407 /nfs/dbraw/zinc/40/34/07/1006403407.db2.gz KDTSPDVAORPQNQ-FDFHNCONSA-N 2 2 422.997 3.755 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000531785515 1006425856 /nfs/dbraw/zinc/42/58/56/1006425856.db2.gz KJRMGNHVDPRZAV-UHFFFAOYSA-N 3 2 403.574 3.753 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000515385350 1006430332 /nfs/dbraw/zinc/43/03/32/1006430332.db2.gz ZOQNPCDYDINQJK-WMLDXEAASA-N 2 2 407.609 3.861 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)n2)C1 ZINC000515385350 1006430345 /nfs/dbraw/zinc/43/03/45/1006430345.db2.gz ZOQNPCDYDINQJK-WMLDXEAASA-N 2 2 407.609 3.861 20 0 HHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000531955242 1006543654 /nfs/dbraw/zinc/54/36/54/1006543654.db2.gz MEHZNSCDFLLHEU-JOCHJYFZSA-N 2 2 422.573 3.793 20 0 HHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000532045926 1006597749 /nfs/dbraw/zinc/59/77/49/1006597749.db2.gz HFOXIEMHXSZBHX-UHFFFAOYSA-N 2 2 402.542 3.799 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351216 1006617939 /nfs/dbraw/zinc/61/79/39/1006617939.db2.gz WEOCPKAZWSANIH-VQTJNVASSA-N 2 2 416.614 3.581 20 0 HHADLP CCn1nc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C1CC1 ZINC000538351216 1006617948 /nfs/dbraw/zinc/61/79/48/1006617948.db2.gz WEOCPKAZWSANIH-VQTJNVASSA-N 2 2 416.614 3.581 20 0 HHADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000538397457 1006666345 /nfs/dbraw/zinc/66/63/45/1006666345.db2.gz GOWFWYZTCFWAID-QGZVFWFLSA-N 2 2 407.514 3.680 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000534724015 1006711583 /nfs/dbraw/zinc/71/15/83/1006711583.db2.gz XVBBMTQPTIKQHY-OLKYXYMISA-N 2 2 415.541 3.856 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000534724015 1006711592 /nfs/dbraw/zinc/71/15/92/1006711592.db2.gz XVBBMTQPTIKQHY-OLKYXYMISA-N 2 2 415.541 3.856 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496545 1006764561 /nfs/dbraw/zinc/76/45/61/1006764561.db2.gz PJACUEGOZRCNPW-GOTSBHOMSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496545 1006764574 /nfs/dbraw/zinc/76/45/74/1006764574.db2.gz PJACUEGOZRCNPW-GOTSBHOMSA-N 2 2 417.642 3.962 20 0 HHADLP CN(c1ccccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000532361546 1006820138 /nfs/dbraw/zinc/82/01/38/1006820138.db2.gz KEQDSYZHBOXWEG-UHFFFAOYSA-N 3 2 417.601 3.794 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828372 1006839646 /nfs/dbraw/zinc/83/96/46/1006839646.db2.gz ZOIYAVDVEXSHDO-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828372 1006839660 /nfs/dbraw/zinc/83/96/60/1006839660.db2.gz ZOIYAVDVEXSHDO-LEWJYISDSA-N 2 2 418.944 3.785 20 0 HHADLP CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000532419364 1006865287 /nfs/dbraw/zinc/86/52/87/1006865287.db2.gz SGOTUWDRLVUOTF-UHFFFAOYSA-N 2 2 408.468 3.541 20 0 HHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000532447530 1006889788 /nfs/dbraw/zinc/88/97/88/1006889788.db2.gz USUYQULXJRFDIV-INIZCTEOSA-N 2 2 401.938 3.587 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000532454210 1006897467 /nfs/dbraw/zinc/89/74/67/1006897467.db2.gz CFKUMDZMSDYGSJ-FQEVSTJZSA-N 2 2 406.574 3.743 20 0 HHADLP OC1(C(F)(F)F)CCC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000532513129 1006950944 /nfs/dbraw/zinc/95/09/44/1006950944.db2.gz PWHGPUNZFMDEHY-UHFFFAOYSA-N 2 2 419.919 3.678 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534931766 1006968721 /nfs/dbraw/zinc/96/87/21/1006968721.db2.gz ULDONZHWAOAEPB-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534931766 1006968722 /nfs/dbraw/zinc/96/87/22/1006968722.db2.gz ULDONZHWAOAEPB-XZOQPEGZSA-N 2 2 424.593 3.673 20 0 HHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000532537795 1006973293 /nfs/dbraw/zinc/97/32/93/1006973293.db2.gz KLXVIRANNPBCHZ-UHFFFAOYSA-N 2 2 418.582 3.864 20 0 HHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000532537795 1006973306 /nfs/dbraw/zinc/97/33/06/1006973306.db2.gz KLXVIRANNPBCHZ-UHFFFAOYSA-N 2 2 418.582 3.864 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000534954614 1006999277 /nfs/dbraw/zinc/99/92/77/1006999277.db2.gz JVCVSQLPDFRSBP-UHFFFAOYSA-N 2 2 406.534 3.687 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000534954614 1006999288 /nfs/dbraw/zinc/99/92/88/1006999288.db2.gz JVCVSQLPDFRSBP-UHFFFAOYSA-N 2 2 406.534 3.687 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000532645377 1007064918 /nfs/dbraw/zinc/06/49/18/1007064918.db2.gz VVQJPVVZZFCDQX-HOTGVXAUSA-N 2 2 418.969 3.700 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795926 1007076146 /nfs/dbraw/zinc/07/61/46/1007076146.db2.gz FCJGMYIYFDIPPC-AUUYWEPGSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795926 1007076162 /nfs/dbraw/zinc/07/61/62/1007076162.db2.gz FCJGMYIYFDIPPC-AUUYWEPGSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000538795926 1007076172 /nfs/dbraw/zinc/07/61/72/1007076172.db2.gz FCJGMYIYFDIPPC-AUUYWEPGSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000538795926 1007076185 /nfs/dbraw/zinc/07/61/85/1007076185.db2.gz FCJGMYIYFDIPPC-AUUYWEPGSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795927 1007076578 /nfs/dbraw/zinc/07/65/78/1007076578.db2.gz FCJGMYIYFDIPPC-IFXJQAMLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000538795927 1007076598 /nfs/dbraw/zinc/07/65/98/1007076598.db2.gz FCJGMYIYFDIPPC-IFXJQAMLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000538795927 1007076615 /nfs/dbraw/zinc/07/66/15/1007076615.db2.gz FCJGMYIYFDIPPC-IFXJQAMLSA-N 2 2 409.368 3.915 20 0 HHADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000538795927 1007076629 /nfs/dbraw/zinc/07/66/29/1007076629.db2.gz FCJGMYIYFDIPPC-IFXJQAMLSA-N 2 2 409.368 3.915 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538797747 1007078952 /nfs/dbraw/zinc/07/89/52/1007078952.db2.gz XHCKNZGKTNOWBL-LPHOPBHVSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538797747 1007078963 /nfs/dbraw/zinc/07/89/63/1007078963.db2.gz XHCKNZGKTNOWBL-LPHOPBHVSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538797747 1007078970 /nfs/dbraw/zinc/07/89/70/1007078970.db2.gz XHCKNZGKTNOWBL-LPHOPBHVSA-N 2 2 411.384 3.781 20 0 HHADLP CCOCCOc1ccc(Br)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538797747 1007078980 /nfs/dbraw/zinc/07/89/80/1007078980.db2.gz XHCKNZGKTNOWBL-LPHOPBHVSA-N 2 2 411.384 3.781 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088350 1007100889 /nfs/dbraw/zinc/10/08/89/1007100889.db2.gz SOCZHHLMIPHDBT-VXKWHMMOSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535088350 1007100892 /nfs/dbraw/zinc/10/08/92/1007100892.db2.gz SOCZHHLMIPHDBT-VXKWHMMOSA-N 2 2 400.567 3.690 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535091331 1007105156 /nfs/dbraw/zinc/10/51/56/1007105156.db2.gz YPBZODPRBJJYGO-RTBURBONSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535091331 1007105161 /nfs/dbraw/zinc/10/51/61/1007105161.db2.gz YPBZODPRBJJYGO-RTBURBONSA-N 2 2 419.639 3.823 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535092950 1007106744 /nfs/dbraw/zinc/10/67/44/1007106744.db2.gz AYLDTVUKGSXJNM-GOTSBHOMSA-N 2 2 408.590 3.573 20 0 HHADLP CN(C(=O)Cc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535092950 1007106752 /nfs/dbraw/zinc/10/67/52/1007106752.db2.gz AYLDTVUKGSXJNM-GOTSBHOMSA-N 2 2 408.590 3.573 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000538834742 1007107067 /nfs/dbraw/zinc/10/70/67/1007107067.db2.gz PXRTWWDQQFSNBC-CWAQXLGLSA-N 2 2 400.526 3.857 20 0 HHADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000538834742 1007107077 /nfs/dbraw/zinc/10/70/77/1007107077.db2.gz PXRTWWDQQFSNBC-CWAQXLGLSA-N 2 2 400.526 3.857 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093546 1007107901 /nfs/dbraw/zinc/10/79/01/1007107901.db2.gz DDOHRCOMCBRNNN-VXKWHMMOSA-N 2 2 407.549 3.693 20 0 HHADLP CN(C(=O)CCc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093546 1007107912 /nfs/dbraw/zinc/10/79/12/1007107912.db2.gz DDOHRCOMCBRNNN-VXKWHMMOSA-N 2 2 407.549 3.693 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093787 1007107978 /nfs/dbraw/zinc/10/79/78/1007107978.db2.gz FDEFHUOCTWERNW-YADHBBJMSA-N 2 2 406.014 3.987 20 0 HHADLP Cc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000535093787 1007107985 /nfs/dbraw/zinc/10/79/85/1007107985.db2.gz FDEFHUOCTWERNW-YADHBBJMSA-N 2 2 406.014 3.987 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096204 1007113346 /nfs/dbraw/zinc/11/33/46/1007113346.db2.gz MTCFGWAUNLKEDM-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096204 1007113352 /nfs/dbraw/zinc/11/33/52/1007113352.db2.gz MTCFGWAUNLKEDM-BJKOFHAPSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)C[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096984 1007114560 /nfs/dbraw/zinc/11/45/60/1007114560.db2.gz RANZGLRIHDUEMT-WWPVKYPJSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)C[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096984 1007114564 /nfs/dbraw/zinc/11/45/64/1007114564.db2.gz RANZGLRIHDUEMT-WWPVKYPJSA-N 2 2 413.606 3.738 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097164 1007115685 /nfs/dbraw/zinc/11/56/85/1007115685.db2.gz XINLITQSOQKWOO-PKTZIBPZSA-N 2 2 415.622 3.814 20 0 HHADLP CCOc1ccccc1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097164 1007115687 /nfs/dbraw/zinc/11/56/87/1007115687.db2.gz XINLITQSOQKWOO-PKTZIBPZSA-N 2 2 415.622 3.814 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(O)ccc3Br)[nH+]c2)CC1 ZINC000532706355 1007120313 /nfs/dbraw/zinc/12/03/13/1007120313.db2.gz WPLRZCDZWYHLEQ-UHFFFAOYSA-N 2 2 405.340 3.692 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100670 1007120513 /nfs/dbraw/zinc/12/05/13/1007120513.db2.gz QEGQHFCYYXXNGL-NEWJYFPISA-N 2 2 413.606 3.594 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100670 1007120516 /nfs/dbraw/zinc/12/05/16/1007120516.db2.gz QEGQHFCYYXXNGL-NEWJYFPISA-N 2 2 413.606 3.594 20 0 HHADLP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CN1c1c(F)cccc1F ZINC000538868610 1007146688 /nfs/dbraw/zinc/14/66/88/1007146688.db2.gz AOQYRNWYKUQYEB-IBGZPJMESA-N 2 2 417.475 3.506 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120335 1007153108 /nfs/dbraw/zinc/15/31/08/1007153108.db2.gz GDBUHPPAFVTTJN-DHIUTWEWSA-N 2 2 416.610 3.564 20 0 HHADLP CCOc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535120335 1007153114 /nfs/dbraw/zinc/15/31/14/1007153114.db2.gz GDBUHPPAFVTTJN-DHIUTWEWSA-N 2 2 416.610 3.564 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535122083 1007155091 /nfs/dbraw/zinc/15/50/91/1007155091.db2.gz QFBJZRVTIAOZGP-JRFVFWCSSA-N 2 2 414.638 3.986 20 0 HHADLP CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535122083 1007155100 /nfs/dbraw/zinc/15/51/00/1007155100.db2.gz QFBJZRVTIAOZGP-JRFVFWCSSA-N 2 2 414.638 3.986 20 0 HHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Br ZINC000532865830 1007253037 /nfs/dbraw/zinc/25/30/37/1007253037.db2.gz GAPJTEXHWSKCPE-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535211838 1007262003 /nfs/dbraw/zinc/26/20/03/1007262003.db2.gz NLDRFFJPYGHBCN-GOSISDBHSA-N 2 2 415.607 3.702 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535211838 1007262017 /nfs/dbraw/zinc/26/20/17/1007262017.db2.gz NLDRFFJPYGHBCN-GOSISDBHSA-N 2 2 415.607 3.702 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293445 1007344981 /nfs/dbraw/zinc/34/49/81/1007344981.db2.gz JSWFSRFDUUJUEU-PCCBWWKXSA-N 2 2 419.614 3.721 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293445 1007344990 /nfs/dbraw/zinc/34/49/90/1007344990.db2.gz JSWFSRFDUUJUEU-PCCBWWKXSA-N 2 2 419.614 3.721 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccccc3OCc3cccnc3)[nH+]c2)C1 ZINC000532984682 1007355729 /nfs/dbraw/zinc/35/57/29/1007355729.db2.gz LHXKQFPWBBBIFV-JOCHJYFZSA-N 2 2 403.530 3.808 20 0 HHADLP CC(C)C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000539083088 1007372746 /nfs/dbraw/zinc/37/27/46/1007372746.db2.gz VXJPWVBKPOKPMA-OALUTQOASA-N 2 2 415.607 3.721 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128739 1007442620 /nfs/dbraw/zinc/44/26/20/1007442620.db2.gz BEKWZAIJYZSKBY-NJDAHSKKSA-N 2 2 416.610 3.959 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C[C@H](C)O1 ZINC000539150309 1007446453 /nfs/dbraw/zinc/44/64/53/1007446453.db2.gz VHVQMXTZTCXJET-CALCHBBNSA-N 2 2 421.632 3.962 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C[C@H](C)O1 ZINC000539150309 1007446459 /nfs/dbraw/zinc/44/64/59/1007446459.db2.gz VHVQMXTZTCXJET-CALCHBBNSA-N 2 2 421.632 3.962 20 0 HHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000533104797 1007455948 /nfs/dbraw/zinc/45/59/48/1007455948.db2.gz BYLFMPGAFIFYPU-DEOSSOPVSA-N 2 2 404.514 3.688 20 0 HHADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000533104704 1007455965 /nfs/dbraw/zinc/45/59/65/1007455965.db2.gz JVDGGCSCINALLY-FQEVSTJZSA-N 2 2 410.345 3.648 20 0 HHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000533104705 1007456490 /nfs/dbraw/zinc/45/64/90/1007456490.db2.gz JVDGGCSCINALLY-HXUWFJFHSA-N 2 2 410.345 3.648 20 0 HHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000539219811 1007511250 /nfs/dbraw/zinc/51/12/50/1007511250.db2.gz RRUOZNGHWXNUEB-OYRHEFFESA-N 2 2 412.578 3.679 20 0 HHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000539219811 1007511258 /nfs/dbraw/zinc/51/12/58/1007511258.db2.gz RRUOZNGHWXNUEB-OYRHEFFESA-N 2 2 412.578 3.679 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000517227118 1007511856 /nfs/dbraw/zinc/51/18/56/1007511856.db2.gz AHTFXTYUCXEQNA-FCHUYYIVSA-N 2 2 414.594 3.813 20 0 HHADLP CN(C(=O)Nc1cccc2c1OCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000517227118 1007511864 /nfs/dbraw/zinc/51/18/64/1007511864.db2.gz AHTFXTYUCXEQNA-FCHUYYIVSA-N 2 2 414.594 3.813 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226231 1007512261 /nfs/dbraw/zinc/51/22/61/1007512261.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000517226231 1007512267 /nfs/dbraw/zinc/51/22/67/1007512267.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226231 1007512269 /nfs/dbraw/zinc/51/22/69/1007512269.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226231 1007512274 /nfs/dbraw/zinc/51/22/74/1007512274.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 3 2 406.618 3.790 20 0 HHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000533271795 1007586357 /nfs/dbraw/zinc/58/63/57/1007586357.db2.gz YZXMEKWFYXJOAS-UHFFFAOYSA-N 2 2 411.472 3.572 20 0 HHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000533271795 1007586368 /nfs/dbraw/zinc/58/63/68/1007586368.db2.gz YZXMEKWFYXJOAS-UHFFFAOYSA-N 2 2 411.472 3.572 20 0 HHADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000533287430 1007598981 /nfs/dbraw/zinc/59/89/81/1007598981.db2.gz VGHMDNFYAMJPAL-UHFFFAOYSA-N 2 2 416.525 3.908 20 0 HHADLP CC(C)(COc1ncccc1Br)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000533315266 1007630384 /nfs/dbraw/zinc/63/03/84/1007630384.db2.gz WBIDTIRMUBGYFT-UHFFFAOYSA-N 2 2 401.308 3.977 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000539351001 1007652811 /nfs/dbraw/zinc/65/28/11/1007652811.db2.gz WYZSWMDJKDWYLT-DENIHFKCSA-N 2 2 413.566 3.873 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000539351001 1007652819 /nfs/dbraw/zinc/65/28/19/1007652819.db2.gz WYZSWMDJKDWYLT-DENIHFKCSA-N 2 2 413.566 3.873 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000535668531 1007686800 /nfs/dbraw/zinc/68/68/00/1007686800.db2.gz OKXWYDKWYBXJTN-DEOSSOPVSA-N 2 2 420.532 3.507 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000535668531 1007686806 /nfs/dbraw/zinc/68/68/06/1007686806.db2.gz OKXWYDKWYBXJTN-DEOSSOPVSA-N 2 2 420.532 3.507 20 0 HHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540880 1007757175 /nfs/dbraw/zinc/75/71/75/1007757175.db2.gz LUCFIPUVRLCEQB-SIKLNZKXSA-N 2 2 407.562 3.707 20 0 HHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540880 1007757184 /nfs/dbraw/zinc/75/71/84/1007757184.db2.gz LUCFIPUVRLCEQB-SIKLNZKXSA-N 2 2 407.562 3.707 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454379 1007765959 /nfs/dbraw/zinc/76/59/59/1007765959.db2.gz XAQSMMLOMIETBY-LEWJYISDSA-N 2 2 406.546 3.635 20 0 HHADLP COc1ccc(F)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539454379 1007765985 /nfs/dbraw/zinc/76/59/85/1007765985.db2.gz XAQSMMLOMIETBY-LEWJYISDSA-N 2 2 406.546 3.635 20 0 HHADLP CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000533482630 1007790676 /nfs/dbraw/zinc/79/06/76/1007790676.db2.gz TZHGFHSXBJKCDN-SFHVURJKSA-N 2 2 411.575 3.744 20 0 HHADLP CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cs1 ZINC000533482630 1007790699 /nfs/dbraw/zinc/79/06/99/1007790699.db2.gz TZHGFHSXBJKCDN-SFHVURJKSA-N 2 2 411.575 3.744 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000539509263 1007818563 /nfs/dbraw/zinc/81/85/63/1007818563.db2.gz XZSMHNFHRHSOQA-VHKYSDTDSA-N 2 2 411.384 3.876 20 0 HHADLP CCOC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)o1 ZINC000539510860 1007820058 /nfs/dbraw/zinc/82/00/58/1007820058.db2.gz PYRQKGJAGBBWIU-MRXNPFEDSA-N 2 2 403.498 3.588 20 0 HHADLP CN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849419 1007861993 /nfs/dbraw/zinc/86/19/93/1007861993.db2.gz ARFMNFQURPUMLA-ZPZUNKDASA-N 2 2 411.634 3.977 20 0 HHADLP CN(C(=O)C[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849419 1007862001 /nfs/dbraw/zinc/86/20/01/1007862001.db2.gz ARFMNFQURPUMLA-ZPZUNKDASA-N 2 2 411.634 3.977 20 0 HHADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874301 1007891274 /nfs/dbraw/zinc/89/12/74/1007891274.db2.gz AMZFCBQUFVCXNW-FFZOFVMBSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874301 1007891280 /nfs/dbraw/zinc/89/12/80/1007891280.db2.gz AMZFCBQUFVCXNW-FFZOFVMBSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874301 1007891282 /nfs/dbraw/zinc/89/12/82/1007891282.db2.gz AMZFCBQUFVCXNW-FFZOFVMBSA-N 2 2 410.965 3.740 20 0 HHADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535874301 1007891284 /nfs/dbraw/zinc/89/12/84/1007891284.db2.gz AMZFCBQUFVCXNW-FFZOFVMBSA-N 2 2 410.965 3.740 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639997 1007946830 /nfs/dbraw/zinc/94/68/30/1007946830.db2.gz GIGYPOLQPGBIEC-VXKWHMMOSA-N 2 2 400.567 3.690 20 0 HHADLP CC(=O)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533639997 1007946835 /nfs/dbraw/zinc/94/68/35/1007946835.db2.gz GIGYPOLQPGBIEC-VXKWHMMOSA-N 2 2 400.567 3.690 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649367 1007959358 /nfs/dbraw/zinc/95/93/58/1007959358.db2.gz WWYSVHXIEVXEAZ-PMACEKPBSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649367 1007959365 /nfs/dbraw/zinc/95/93/65/1007959365.db2.gz WWYSVHXIEVXEAZ-PMACEKPBSA-N 2 2 407.986 3.514 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649656 1007960655 /nfs/dbraw/zinc/96/06/55/1007960655.db2.gz VFCWDEANMNQCPU-GOTSBHOMSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1cccc2[nH]cc(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c21 ZINC000533649656 1007960669 /nfs/dbraw/zinc/96/06/69/1007960669.db2.gz VFCWDEANMNQCPU-GOTSBHOMSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650271 1007962278 /nfs/dbraw/zinc/96/22/78/1007962278.db2.gz VHDTZIBOPFTTAB-MOPGFXCFSA-N 2 2 415.578 3.516 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)oc2c1C(=O)CCC2 ZINC000533650271 1007962291 /nfs/dbraw/zinc/96/22/91/1007962291.db2.gz VHDTZIBOPFTTAB-MOPGFXCFSA-N 2 2 415.578 3.516 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650906 1007963708 /nfs/dbraw/zinc/96/37/08/1007963708.db2.gz IYVFGCLDSMFJSC-UXHICEINSA-N 2 2 409.521 3.697 20 0 HHADLP CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650906 1007963723 /nfs/dbraw/zinc/96/37/23/1007963723.db2.gz IYVFGCLDSMFJSC-UXHICEINSA-N 2 2 409.521 3.697 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(c4ccc(F)cc4F)CC3)[nH+]c2)CC1 ZINC000539688271 1008008420 /nfs/dbraw/zinc/00/84/20/1008008420.db2.gz RWKHTXSPPIVUJY-UHFFFAOYSA-N 2 2 415.532 3.971 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000517885386 1008029188 /nfs/dbraw/zinc/02/91/88/1008029188.db2.gz UBWZMUFCSGQPFS-UHFFFAOYSA-N 2 2 413.591 3.687 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009314 1008051109 /nfs/dbraw/zinc/05/11/09/1008051109.db2.gz LMSUFARNHXLXKS-GOTSBHOMSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000536009314 1008051124 /nfs/dbraw/zinc/05/11/24/1008051124.db2.gz LMSUFARNHXLXKS-GOTSBHOMSA-N 2 2 417.642 3.962 20 0 HHADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(O)c(C(C)C)c1 ZINC000539840063 1008131461 /nfs/dbraw/zinc/13/14/61/1008131461.db2.gz FKXCYASECABFMC-UHFFFAOYSA-N 2 2 401.595 3.927 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3sc(CCOC)nc3C)cc2)CC1 ZINC000539967479 1008211834 /nfs/dbraw/zinc/21/18/34/1008211834.db2.gz HAOOLGBRAXNWFI-GOSISDBHSA-N 2 2 416.635 3.629 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000518295471 1008245065 /nfs/dbraw/zinc/24/50/65/1008245065.db2.gz OUUPBJQXFXBVQU-QHCPKHFHSA-N 2 2 423.605 3.818 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518295471 1008245070 /nfs/dbraw/zinc/24/50/70/1008245070.db2.gz OUUPBJQXFXBVQU-QHCPKHFHSA-N 2 2 423.605 3.818 20 0 HHADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000540151894 1008313275 /nfs/dbraw/zinc/31/32/75/1008313275.db2.gz CQVZIWMZRPGCBY-PGRDOPGGSA-N 2 2 412.559 3.500 20 0 HHADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc2ccccc21 ZINC000540180926 1008325353 /nfs/dbraw/zinc/32/53/53/1008325353.db2.gz JZDONRBMMZVBTI-FPOVZHCZSA-N 2 2 417.557 3.786 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244088 1008350465 /nfs/dbraw/zinc/35/04/65/1008350465.db2.gz HQIBSHMCYUJRHJ-KMTJZVEASA-N 2 2 408.949 3.539 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244088 1008350468 /nfs/dbraw/zinc/35/04/68/1008350468.db2.gz HQIBSHMCYUJRHJ-KMTJZVEASA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244088 1008350472 /nfs/dbraw/zinc/35/04/72/1008350472.db2.gz HQIBSHMCYUJRHJ-KMTJZVEASA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540244088 1008350475 /nfs/dbraw/zinc/35/04/75/1008350475.db2.gz HQIBSHMCYUJRHJ-KMTJZVEASA-N 2 2 408.949 3.539 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000540245700 1008351050 /nfs/dbraw/zinc/35/10/50/1008351050.db2.gz UWSCYWNUNYVFKZ-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@H](C)O1 ZINC000540245700 1008351053 /nfs/dbraw/zinc/35/10/53/1008351053.db2.gz UWSCYWNUNYVFKZ-GASCZTMLSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(Br)c3)CC2)C[C@@H](C)O1 ZINC000540245702 1008351082 /nfs/dbraw/zinc/35/10/82/1008351082.db2.gz UWSCYWNUNYVFKZ-HUUCEWRRSA-N 2 2 417.413 3.601 20 0 HHADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000540303946 1008373313 /nfs/dbraw/zinc/37/33/13/1008373313.db2.gz ZINGGNBRAVIEKR-UTKZUKDTSA-N 2 2 411.981 3.866 20 0 HHADLP CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000540351317 1008393350 /nfs/dbraw/zinc/39/33/50/1008393350.db2.gz MINCQCMDJZNOAW-SFHVURJKSA-N 2 2 402.564 3.817 20 0 HHADLP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)C[C@H]1C ZINC000540394832 1008415087 /nfs/dbraw/zinc/41/50/87/1008415087.db2.gz ABPAMISPWSFWQA-SZPZYZBQSA-N 3 2 422.617 3.849 20 0 HHADLP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)C[C@H]1C ZINC000540394832 1008415090 /nfs/dbraw/zinc/41/50/90/1008415090.db2.gz ABPAMISPWSFWQA-SZPZYZBQSA-N 3 2 422.617 3.849 20 0 HHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000518882235 1008458159 /nfs/dbraw/zinc/45/81/59/1008458159.db2.gz OCHACWLAUIURPU-IBGZPJMESA-N 2 2 412.553 3.817 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553848 1008478813 /nfs/dbraw/zinc/47/88/13/1008478813.db2.gz OPURMOMBOALFMD-FGZHOGPDSA-N 2 2 418.630 3.793 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553848 1008478814 /nfs/dbraw/zinc/47/88/14/1008478814.db2.gz OPURMOMBOALFMD-FGZHOGPDSA-N 2 2 418.630 3.793 20 0 HHADLP CCc1[nH+]c2ccccc2c(N2CCC[N@H+](Cc3nc([C@H](C)OC)no3)CC2)c1C ZINC000519084031 1008524077 /nfs/dbraw/zinc/52/40/77/1008524077.db2.gz ZBGYUBANAFCTBG-KRWDZBQOSA-N 2 2 409.534 3.908 20 0 HHADLP CCc1[nH+]c2ccccc2c(N2CCC[N@@H+](Cc3nc([C@H](C)OC)no3)CC2)c1C ZINC000519084031 1008524080 /nfs/dbraw/zinc/52/40/80/1008524080.db2.gz ZBGYUBANAFCTBG-KRWDZBQOSA-N 2 2 409.534 3.908 20 0 HHADLP CC[N@H+](Cc1nc(N)c2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543032859 1008616048 /nfs/dbraw/zinc/61/60/48/1008616048.db2.gz JILRQUSTSRYHBT-UHFFFAOYSA-N 2 2 419.577 3.925 20 0 HHADLP CC[N@@H+](Cc1nc(N)c2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543032859 1008616053 /nfs/dbraw/zinc/61/60/53/1008616053.db2.gz JILRQUSTSRYHBT-UHFFFAOYSA-N 2 2 419.577 3.925 20 0 HHADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061266 1008638655 /nfs/dbraw/zinc/63/86/55/1008638655.db2.gz RVRWGTXWSJJNJV-FQEVSTJZSA-N 2 2 400.592 3.973 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543107204 1008679447 /nfs/dbraw/zinc/67/94/47/1008679447.db2.gz JQKDTOUOXCRUSW-FCHUYYIVSA-N 2 2 419.585 3.779 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543107204 1008679452 /nfs/dbraw/zinc/67/94/52/1008679452.db2.gz JQKDTOUOXCRUSW-FCHUYYIVSA-N 2 2 419.585 3.779 20 0 HHADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549159735 1008729312 /nfs/dbraw/zinc/72/93/12/1008729312.db2.gz ROZBPZGOXCVYIL-SNJCGAMXSA-N 2 2 404.558 3.529 20 0 HHADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549159735 1008729316 /nfs/dbraw/zinc/72/93/16/1008729316.db2.gz ROZBPZGOXCVYIL-SNJCGAMXSA-N 2 2 404.558 3.529 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164004 1008735985 /nfs/dbraw/zinc/73/59/85/1008735985.db2.gz CEHJFLYZCHAWSF-JOCHJYFZSA-N 2 2 423.557 3.692 20 0 HHADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549164004 1008735998 /nfs/dbraw/zinc/73/59/98/1008735998.db2.gz CEHJFLYZCHAWSF-JOCHJYFZSA-N 2 2 423.557 3.692 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549165386 1008736468 /nfs/dbraw/zinc/73/64/68/1008736468.db2.gz MTNJEHSKKIFJFI-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549165386 1008736486 /nfs/dbraw/zinc/73/64/86/1008736486.db2.gz MTNJEHSKKIFJFI-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)c1 ZINC000543262015 1008832415 /nfs/dbraw/zinc/83/24/15/1008832415.db2.gz IDJVJRXPBSZMMY-NFBKMPQASA-N 2 2 424.589 3.921 20 0 HHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543397954 1008988923 /nfs/dbraw/zinc/98/89/23/1008988923.db2.gz LWHWINNXITYSHE-HNNXBMFYSA-N 2 2 411.449 3.824 20 0 HHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000543397954 1008988936 /nfs/dbraw/zinc/98/89/36/1008988936.db2.gz LWHWINNXITYSHE-HNNXBMFYSA-N 2 2 411.449 3.824 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000545916745 1008994496 /nfs/dbraw/zinc/99/44/96/1008994496.db2.gz NRGUQJZAVVHAPX-CQSZACIVSA-N 2 2 415.347 3.526 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519884311 1009051042 /nfs/dbraw/zinc/05/10/42/1009051042.db2.gz LZOBFYSUCUUOSS-IBGZPJMESA-N 2 2 410.468 3.679 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519884311 1009051055 /nfs/dbraw/zinc/05/10/55/1009051055.db2.gz LZOBFYSUCUUOSS-IBGZPJMESA-N 2 2 410.468 3.679 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1c(C)noc1C ZINC000543508801 1009096957 /nfs/dbraw/zinc/09/69/57/1009096957.db2.gz XVXWQPYXOOYKSY-VQTJNVASSA-N 2 2 418.969 3.939 20 0 HHADLP Cc1csc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000543508049 1009097143 /nfs/dbraw/zinc/09/71/43/1009097143.db2.gz BQQRSPCOUKUDFN-GOSISDBHSA-N 2 2 408.571 3.600 20 0 HHADLP CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549526960 1009136761 /nfs/dbraw/zinc/13/67/61/1009136761.db2.gz GGMOUEKBLIZAMV-QFIPXVFZSA-N 2 2 414.569 3.942 20 0 HHADLP CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549526960 1009136770 /nfs/dbraw/zinc/13/67/70/1009136770.db2.gz GGMOUEKBLIZAMV-QFIPXVFZSA-N 2 2 414.569 3.942 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546167219 1009199223 /nfs/dbraw/zinc/19/92/23/1009199223.db2.gz KAJLYCNPICOBCT-QFBILLFUSA-N 2 2 423.399 3.632 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@@H](C)C1 ZINC000546167219 1009199228 /nfs/dbraw/zinc/19/92/28/1009199228.db2.gz KAJLYCNPICOBCT-QFBILLFUSA-N 2 2 423.399 3.632 20 0 HHADLP CCc1sc(-c2nnc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1C ZINC000549801086 1009406382 /nfs/dbraw/zinc/40/63/82/1009406382.db2.gz QIWGQGJWPMPEPQ-IRXDYDNUSA-N 2 2 418.607 3.990 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543893613 1009474534 /nfs/dbraw/zinc/47/45/34/1009474534.db2.gz BVRDLOQSGALTQD-ROUUACIJSA-N 2 2 407.921 3.589 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543893613 1009474539 /nfs/dbraw/zinc/47/45/39/1009474539.db2.gz BVRDLOQSGALTQD-ROUUACIJSA-N 2 2 407.921 3.589 20 0 HHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000549908123 1009527194 /nfs/dbraw/zinc/52/71/94/1009527194.db2.gz FVIYDVRVORQCEC-FOIQADDNSA-N 2 2 421.354 3.528 20 0 HHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000549908123 1009527205 /nfs/dbraw/zinc/52/72/05/1009527205.db2.gz FVIYDVRVORQCEC-FOIQADDNSA-N 2 2 421.354 3.528 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000543968911 1009571953 /nfs/dbraw/zinc/57/19/53/1009571953.db2.gz IRHRUHNLIHQEMO-OAQYLSRUSA-N 2 2 401.530 3.527 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000543988003 1009586602 /nfs/dbraw/zinc/58/66/02/1009586602.db2.gz UIYQARSPLGTVJW-MRXNPFEDSA-N 2 2 412.557 3.622 20 0 HHADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990273 1009589212 /nfs/dbraw/zinc/58/92/12/1009589212.db2.gz YXCVRQGFRIJNOM-UHFFFAOYSA-N 2 2 420.504 3.635 20 0 HHADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520605460 1009681631 /nfs/dbraw/zinc/68/16/31/1009681631.db2.gz ZCMFAIDRYGUJMY-WCIQWLHISA-N 2 2 402.583 3.568 20 0 HHADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520605460 1009681640 /nfs/dbraw/zinc/68/16/40/1009681640.db2.gz ZCMFAIDRYGUJMY-WCIQWLHISA-N 2 2 402.583 3.568 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238084 1009796400 /nfs/dbraw/zinc/79/64/00/1009796400.db2.gz QBBRONOMOBYZTI-AOYPEHQESA-N 2 2 403.570 3.578 20 0 HHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238084 1009796418 /nfs/dbraw/zinc/79/64/18/1009796418.db2.gz QBBRONOMOBYZTI-AOYPEHQESA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238084 1009796432 /nfs/dbraw/zinc/79/64/32/1009796432.db2.gz QBBRONOMOBYZTI-AOYPEHQESA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)C2)C1 ZINC000550238084 1009796439 /nfs/dbraw/zinc/79/64/39/1009796439.db2.gz QBBRONOMOBYZTI-AOYPEHQESA-N 2 2 403.570 3.578 20 0 HHADLP C[C@@H](CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000544235694 1009847907 /nfs/dbraw/zinc/84/79/07/1009847907.db2.gz IFVIXEZSGNXYGB-SLFFLAALSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@@H](CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000544235694 1009847925 /nfs/dbraw/zinc/84/79/25/1009847925.db2.gz IFVIXEZSGNXYGB-SLFFLAALSA-N 2 2 402.583 3.682 20 0 HHADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000544256767 1009868999 /nfs/dbraw/zinc/86/89/99/1009868999.db2.gz CURMWWWZPCVWQP-PMVMPFDFSA-N 2 2 406.574 3.707 20 0 HHADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000544256767 1009869019 /nfs/dbraw/zinc/86/90/19/1009869019.db2.gz CURMWWWZPCVWQP-PMVMPFDFSA-N 2 2 406.574 3.707 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520883072 1009938423 /nfs/dbraw/zinc/93/84/23/1009938423.db2.gz XWEHXKZHOFAYTR-XMSQKQJNSA-N 2 2 415.965 3.523 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000544411848 1010030810 /nfs/dbraw/zinc/03/08/10/1010030810.db2.gz GTCSOPHSGVLXQG-OAQYLSRUSA-N 2 2 408.571 3.681 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000550662095 1010089484 /nfs/dbraw/zinc/08/94/84/1010089484.db2.gz QDNIOXUUDQOERG-LPHOPBHVSA-N 2 2 407.377 3.725 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000550662095 1010089502 /nfs/dbraw/zinc/08/95/02/1010089502.db2.gz QDNIOXUUDQOERG-LPHOPBHVSA-N 2 2 407.377 3.725 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544507275 1010129538 /nfs/dbraw/zinc/12/95/38/1010129538.db2.gz LEOZJVBUDXRBTD-KDURUIRLSA-N 2 2 409.578 3.885 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544507275 1010129544 /nfs/dbraw/zinc/12/95/44/1010129544.db2.gz LEOZJVBUDXRBTD-KDURUIRLSA-N 2 2 409.578 3.885 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)cc2)C[C@@H](C)O1 ZINC000544579761 1010207212 /nfs/dbraw/zinc/20/72/12/1010207212.db2.gz DAMLEMJOYZYZBI-FHAGJXEFSA-N 2 2 402.542 3.965 20 0 HHADLP Cc1ccc([C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C2CCC2)o1 ZINC000544579872 1010207892 /nfs/dbraw/zinc/20/78/92/1010207892.db2.gz XJCXIWAGRZBOHQ-DEOSSOPVSA-N 2 2 411.546 3.880 20 0 HHADLP CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521197380 1010224497 /nfs/dbraw/zinc/22/44/97/1010224497.db2.gz JCMGLNDOIVELPB-XMMPIXPASA-N 2 2 409.574 3.608 20 0 HHADLP CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521197380 1010224506 /nfs/dbraw/zinc/22/45/06/1010224506.db2.gz JCMGLNDOIVELPB-XMMPIXPASA-N 2 2 409.574 3.608 20 0 HHADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000547284795 1010229383 /nfs/dbraw/zinc/22/93/83/1010229383.db2.gz LMAQRUIGPFSWMK-VWLOTQADSA-N 2 2 416.525 3.501 20 0 HHADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000547284795 1010229395 /nfs/dbraw/zinc/22/93/95/1010229395.db2.gz LMAQRUIGPFSWMK-VWLOTQADSA-N 2 2 416.525 3.501 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2ccc(Br)cc2F)CC1 ZINC000547325754 1010253820 /nfs/dbraw/zinc/25/38/20/1010253820.db2.gz KGSHICVRTXGNSZ-UHFFFAOYSA-N 2 2 415.347 3.528 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000547330301 1010255389 /nfs/dbraw/zinc/25/53/89/1010255389.db2.gz SGWUCRGKSCYJCV-UHFFFAOYSA-N 2 2 403.567 3.546 20 0 HHADLP O=C(C[N@@H+]1CCCCC[C@H]1c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521426233 1010369844 /nfs/dbraw/zinc/36/98/44/1010369844.db2.gz LXIZQPPQILLPLP-VWLOTQADSA-N 2 2 421.585 3.752 20 0 HHADLP O=C(C[N@H+]1CCCCC[C@H]1c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000521426233 1010369860 /nfs/dbraw/zinc/36/98/60/1010369860.db2.gz LXIZQPPQILLPLP-VWLOTQADSA-N 2 2 421.585 3.752 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000544826888 1010418462 /nfs/dbraw/zinc/41/84/62/1010418462.db2.gz HXHLLGMYYXVPBW-QGZVFWFLSA-N 2 2 422.411 3.826 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483054 1010641925 /nfs/dbraw/zinc/64/19/25/1010641925.db2.gz QWSHSUZUJOENSG-IRLDBZIGSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483054 1010641929 /nfs/dbraw/zinc/64/19/29/1010641929.db2.gz QWSHSUZUJOENSG-IRLDBZIGSA-N 3 2 407.606 3.935 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000521842781 1010653212 /nfs/dbraw/zinc/65/32/12/1010653212.db2.gz PWSWDWGSAALQCH-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000521842781 1010653235 /nfs/dbraw/zinc/65/32/35/1010653235.db2.gz PWSWDWGSAALQCH-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000521844752 1010655027 /nfs/dbraw/zinc/65/50/27/1010655027.db2.gz SXLLTEWMODQAOM-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000521844752 1010655033 /nfs/dbraw/zinc/65/50/33/1010655033.db2.gz SXLLTEWMODQAOM-QGZVFWFLSA-N 2 2 422.392 3.607 20 0 HHADLP COc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159708 1010657342 /nfs/dbraw/zinc/65/73/42/1010657342.db2.gz YTKAVUCXMYNOPI-NHCUHLMSSA-N 2 2 409.357 3.942 20 0 HHADLP COc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159708 1010657345 /nfs/dbraw/zinc/65/73/45/1010657345.db2.gz YTKAVUCXMYNOPI-NHCUHLMSSA-N 2 2 409.357 3.942 20 0 HHADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000521882430 1010684367 /nfs/dbraw/zinc/68/43/67/1010684367.db2.gz CKUAVVFRTUWPHQ-QHCPKHFHSA-N 2 2 411.615 3.935 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919632 1010710540 /nfs/dbraw/zinc/71/05/40/1010710540.db2.gz TVAOQTKNYNKSCF-RDPSFJRHSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919632 1010710546 /nfs/dbraw/zinc/71/05/46/1010710546.db2.gz TVAOQTKNYNKSCF-RDPSFJRHSA-N 2 2 421.585 3.785 20 0 HHADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000548931660 1010766540 /nfs/dbraw/zinc/76/65/40/1010766540.db2.gz VWUIYZRLMPRFJC-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1 ZINC000548931660 1010766554 /nfs/dbraw/zinc/76/65/54/1010766554.db2.gz VWUIYZRLMPRFJC-QFIPXVFZSA-N 2 2 411.546 3.533 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062159 1010784863 /nfs/dbraw/zinc/78/48/63/1010784863.db2.gz GLZOFADVHUIGOY-RBUKOAKNSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2c(F)cccc2F)C1 ZINC000522062159 1010784868 /nfs/dbraw/zinc/78/48/68/1010784868.db2.gz GLZOFADVHUIGOY-RBUKOAKNSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000522062159 1010784875 /nfs/dbraw/zinc/78/48/75/1010784875.db2.gz GLZOFADVHUIGOY-RBUKOAKNSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000522062159 1010784878 /nfs/dbraw/zinc/78/48/78/1010784878.db2.gz GLZOFADVHUIGOY-RBUKOAKNSA-N 2 2 422.564 3.883 20 0 HHADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000522561762 1011081030 /nfs/dbraw/zinc/08/10/30/1011081030.db2.gz YHFFJUYKMMYLMQ-LEWJYISDSA-N 2 2 421.589 3.695 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2cc(Cl)sc2Cl)([NH+]2CCCCC2)CC1 ZINC000536150776 1011275443 /nfs/dbraw/zinc/27/54/43/1011275443.db2.gz LODGYCXCHWIUPR-UHFFFAOYSA-N 2 2 419.422 3.804 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1C ZINC000523219960 1011708638 /nfs/dbraw/zinc/70/86/38/1011708638.db2.gz VQARCNRSEZCLFT-LJQANCHMSA-N 2 2 400.523 3.587 20 0 HHADLP Cc1cc2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000541152952 1011813372 /nfs/dbraw/zinc/81/33/72/1011813372.db2.gz ZWTFIIDBIQAYOW-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP Cc1cc2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)oc2c(Br)c1 ZINC000541152952 1011813390 /nfs/dbraw/zinc/81/33/90/1011813390.db2.gz ZWTFIIDBIQAYOW-UHFFFAOYSA-N 2 2 422.367 3.602 20 0 HHADLP CC[N@H+](Cc1ccoc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672846 1011829509 /nfs/dbraw/zinc/82/95/09/1011829509.db2.gz UGCCPDCPGIPKHX-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP CC[N@@H+](Cc1ccoc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000536672846 1011829527 /nfs/dbraw/zinc/82/95/27/1011829527.db2.gz UGCCPDCPGIPKHX-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2)c1 ZINC000536676385 1011837910 /nfs/dbraw/zinc/83/79/10/1011837910.db2.gz ALUVFAGWEWQSIJ-UHFFFAOYSA-N 2 2 414.546 3.775 20 0 HHADLP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2)c1 ZINC000536676385 1011837929 /nfs/dbraw/zinc/83/79/29/1011837929.db2.gz ALUVFAGWEWQSIJ-UHFFFAOYSA-N 2 2 414.546 3.775 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541185027 1011858132 /nfs/dbraw/zinc/85/81/32/1011858132.db2.gz RTSNTAMTWLZVAE-QPPBQGQZSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541185027 1011858150 /nfs/dbraw/zinc/85/81/50/1011858150.db2.gz RTSNTAMTWLZVAE-QPPBQGQZSA-N 2 2 423.605 3.996 20 0 HHADLP O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000523384009 1011860504 /nfs/dbraw/zinc/86/05/04/1011860504.db2.gz HEFPKPXIPROTNE-VWLOTQADSA-N 2 2 410.521 3.890 20 0 HHADLP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000523391849 1011870984 /nfs/dbraw/zinc/87/09/84/1011870984.db2.gz OAEZEOANAMIISX-UHFFFAOYSA-N 2 2 407.518 3.625 20 0 HHADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000541336639 1012048188 /nfs/dbraw/zinc/04/81/88/1012048188.db2.gz QDOWUYTYOUXQEI-IBGZPJMESA-N 2 2 409.496 3.757 20 0 HHADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000541336639 1012048206 /nfs/dbraw/zinc/04/82/06/1012048206.db2.gz QDOWUYTYOUXQEI-IBGZPJMESA-N 2 2 409.496 3.757 20 0 HHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048443 1012068291 /nfs/dbraw/zinc/06/82/91/1012068291.db2.gz SROVNYFDRFUKKW-ROUUACIJSA-N 2 2 401.473 3.569 20 0 HHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048443 1012068308 /nfs/dbraw/zinc/06/83/08/1012068308.db2.gz SROVNYFDRFUKKW-ROUUACIJSA-N 2 2 401.473 3.569 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876450 1012119766 /nfs/dbraw/zinc/11/97/66/1012119766.db2.gz MTYRKKBSYAKLPX-BYXVTNLJSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876450 1012119778 /nfs/dbraw/zinc/11/97/78/1012119778.db2.gz MTYRKKBSYAKLPX-BYXVTNLJSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000536876450 1012119791 /nfs/dbraw/zinc/11/97/91/1012119791.db2.gz MTYRKKBSYAKLPX-BYXVTNLJSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000536876450 1012119803 /nfs/dbraw/zinc/11/98/03/1012119803.db2.gz MTYRKKBSYAKLPX-BYXVTNLJSA-N 2 2 406.618 3.965 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C[C@@H](C)O1 ZINC000536895161 1012148709 /nfs/dbraw/zinc/14/87/09/1012148709.db2.gz YQJKNJTYHCBCAH-IAGOWNOFSA-N 2 2 403.954 3.983 20 0 HHADLP COc1cccc2c(N3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc(C)[nH+]c12 ZINC000536897624 1012154119 /nfs/dbraw/zinc/15/41/19/1012154119.db2.gz SLNYBCWBXSJEDV-OALUTQOASA-N 2 2 413.562 3.646 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523616290 1012190678 /nfs/dbraw/zinc/19/06/78/1012190678.db2.gz QAFCGDBZCHCWGZ-IAGOWNOFSA-N 2 2 401.530 3.567 20 0 HHADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCSC1 ZINC000541458299 1012218819 /nfs/dbraw/zinc/21/88/19/1012218819.db2.gz CPALCEZEWWMNAZ-SFHVURJKSA-N 2 2 416.418 3.511 20 0 HHADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCSC1 ZINC000541458299 1012218830 /nfs/dbraw/zinc/21/88/30/1012218830.db2.gz CPALCEZEWWMNAZ-SFHVURJKSA-N 2 2 416.418 3.511 20 0 HHADLP CCC(CC)(CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[NH2+][C@H](C)c1ccccc1 ZINC000536978488 1012276563 /nfs/dbraw/zinc/27/65/63/1012276563.db2.gz OVKSXWMSXNAUSG-GOSISDBHSA-N 2 2 421.545 3.607 20 0 HHADLP COc1cccc([C@@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000523782583 1012432212 /nfs/dbraw/zinc/43/22/12/1012432212.db2.gz ZOTCXYNQDWIPKK-HSZRJFAPSA-N 2 2 419.529 3.517 20 0 HHADLP CC(C)C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000541627621 1012439164 /nfs/dbraw/zinc/43/91/64/1012439164.db2.gz RXFTYLCUGLUVSG-OAQYLSRUSA-N 2 2 415.603 3.574 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000541728218 1012579830 /nfs/dbraw/zinc/57/98/30/1012579830.db2.gz JUXPTNHUESRTCF-SFHVURJKSA-N 2 2 403.530 3.647 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000541728218 1012579837 /nfs/dbraw/zinc/57/98/37/1012579837.db2.gz JUXPTNHUESRTCF-SFHVURJKSA-N 2 2 403.530 3.647 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3cc4ccccc4o3)c3ccccc3)cn2)CC1 ZINC000537212428 1012634438 /nfs/dbraw/zinc/63/44/38/1012634438.db2.gz DMXLRECUYUCUAZ-XMMPIXPASA-N 2 2 413.525 3.854 20 0 HHADLP NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000541800751 1012679219 /nfs/dbraw/zinc/67/92/19/1012679219.db2.gz LRAYBFNFMOCIBT-VWLOTQADSA-N 2 2 410.521 3.785 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249324 1012694676 /nfs/dbraw/zinc/69/46/76/1012694676.db2.gz XODHOFBQGFGYSJ-WOJBJXKFSA-N 2 2 418.630 3.747 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249324 1012694682 /nfs/dbraw/zinc/69/46/82/1012694682.db2.gz XODHOFBQGFGYSJ-WOJBJXKFSA-N 2 2 418.630 3.747 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)CC(C)C ZINC000552710133 1012721901 /nfs/dbraw/zinc/72/19/01/1012721901.db2.gz KSUWXBVJHLEQNK-UHFFFAOYSA-N 2 2 415.626 3.840 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1)CC(C)C ZINC000552710133 1012721920 /nfs/dbraw/zinc/72/19/20/1012721920.db2.gz KSUWXBVJHLEQNK-UHFFFAOYSA-N 2 2 415.626 3.840 20 0 HHADLP COc1cccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)c1 ZINC000552818829 1012828947 /nfs/dbraw/zinc/82/89/47/1012828947.db2.gz GTNLLLFYFNCTKD-DHIUTWEWSA-N 2 2 418.541 3.894 20 0 HHADLP O=C1C[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000542101692 1013034480 /nfs/dbraw/zinc/03/44/80/1013034480.db2.gz ANMAYULZJVZJMN-QHCPKHFHSA-N 2 2 416.525 3.861 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542109509 1013041925 /nfs/dbraw/zinc/04/19/25/1013041925.db2.gz GEXLQKLHTTUDCW-UHFFFAOYSA-N 2 2 409.578 3.881 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542110253 1013043460 /nfs/dbraw/zinc/04/34/60/1013043460.db2.gz RFHSIXUVVZGEPN-OAQYLSRUSA-N 2 2 413.566 3.905 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000729684385 1071806705 /nfs/dbraw/zinc/80/67/05/1071806705.db2.gz NQVKUMVPDNHRSR-LEWJYISDSA-N 2 2 408.571 3.613 20 0 HHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000729684385 1071806728 /nfs/dbraw/zinc/80/67/28/1071806728.db2.gz NQVKUMVPDNHRSR-LEWJYISDSA-N 2 2 408.571 3.613 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684395 1071806901 /nfs/dbraw/zinc/80/69/01/1071806901.db2.gz NWJMHDRVQXBVLP-DNQXCXABSA-N 2 2 402.542 3.801 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684395 1071806910 /nfs/dbraw/zinc/80/69/10/1071806910.db2.gz NWJMHDRVQXBVLP-DNQXCXABSA-N 2 2 402.542 3.801 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684176 1071803516 /nfs/dbraw/zinc/80/35/16/1071803516.db2.gz KPQXUMWEDUQQEA-CWRNSKLLSA-N 2 2 412.374 3.511 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684176 1071803531 /nfs/dbraw/zinc/80/35/31/1071803531.db2.gz KPQXUMWEDUQQEA-CWRNSKLLSA-N 2 2 412.374 3.511 20 0 HHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001687423911 1071969004 /nfs/dbraw/zinc/96/90/04/1071969004.db2.gz IXKWAGLWGOHSQY-HSZRJFAPSA-N 2 2 403.530 3.542 20 0 HHADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001687423911 1071969012 /nfs/dbraw/zinc/96/90/12/1071969012.db2.gz IXKWAGLWGOHSQY-HSZRJFAPSA-N 2 2 403.530 3.542 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000611648363 1072145200 /nfs/dbraw/zinc/14/52/00/1072145200.db2.gz LLLILGZZRBBIGL-LJQANCHMSA-N 2 2 421.010 3.922 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000611648363 1072145202 /nfs/dbraw/zinc/14/52/02/1072145202.db2.gz LLLILGZZRBBIGL-LJQANCHMSA-N 2 2 421.010 3.922 20 0 HHADLP C[C@@H](CN1CCOCC1)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340385 1072518646 /nfs/dbraw/zinc/51/86/46/1072518646.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@@H](CN1CCOCC1)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340385 1072518657 /nfs/dbraw/zinc/51/86/57/1072518657.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@H](CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCOCC1 ZINC001168340385 1072518665 /nfs/dbraw/zinc/51/86/65/1072518665.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@H](CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCOCC1 ZINC001168340385 1072518670 /nfs/dbraw/zinc/51/86/70/1072518670.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 2 2 413.528 3.570 20 0 HHADLP O=C(Nc1ccccc1)c1nc2c(s1)CC[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378339 1072579026 /nfs/dbraw/zinc/57/90/26/1072579026.db2.gz ULZTYSLGXLOJPU-UHFFFAOYSA-N 2 2 410.587 3.670 20 0 HHADLP O=C(Nc1ccccc1)c1nc2c(s1)CC[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378339 1072579033 /nfs/dbraw/zinc/57/90/33/1072579033.db2.gz ULZTYSLGXLOJPU-UHFFFAOYSA-N 2 2 410.587 3.670 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675771 1072752108 /nfs/dbraw/zinc/75/21/08/1072752108.db2.gz HDTARIKTEMAXEO-NQIIRXRSSA-N 2 2 402.583 3.529 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760675771 1072752112 /nfs/dbraw/zinc/75/21/12/1072752112.db2.gz HDTARIKTEMAXEO-NQIIRXRSSA-N 2 2 402.583 3.529 20 0 HHADLP O=C1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1ccccc1C(F)(F)F ZINC000479402451 1072794407 /nfs/dbraw/zinc/79/44/07/1072794407.db2.gz PGGAZCZGFSYSFT-GOSISDBHSA-N 2 2 400.404 3.786 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000554861877 1072898543 /nfs/dbraw/zinc/89/85/43/1072898543.db2.gz WSYPZXMSWDWHRU-UHFFFAOYSA-N 2 2 414.509 3.628 20 0 HHADLP Brc1ccccc1Cn1cncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168364518 1073007107 /nfs/dbraw/zinc/00/71/07/1073007107.db2.gz FFAKNCRIDWPNTQ-UHFFFAOYSA-N 2 2 403.368 3.658 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)c(C)c2)CC1 ZINC000554957038 1073007953 /nfs/dbraw/zinc/00/79/53/1073007953.db2.gz SOJSRMBRKPNXKF-UHFFFAOYSA-N 2 2 417.557 3.563 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[NH+](CC(C)C)C3)c2C1 ZINC000555013069 1073066789 /nfs/dbraw/zinc/06/67/89/1073066789.db2.gz AKMPVHIFIRDHOG-LJQANCHMSA-N 2 2 408.590 3.711 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[NH+](CC(C)C)C3)c2C1 ZINC000555013069 1073066798 /nfs/dbraw/zinc/06/67/98/1073066798.db2.gz AKMPVHIFIRDHOG-LJQANCHMSA-N 2 2 408.590 3.711 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)c2C1 ZINC000555013069 1073066805 /nfs/dbraw/zinc/06/68/05/1073066805.db2.gz AKMPVHIFIRDHOG-LJQANCHMSA-N 2 2 408.590 3.711 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)c2C1 ZINC000555013069 1073066812 /nfs/dbraw/zinc/06/68/12/1073066812.db2.gz AKMPVHIFIRDHOG-LJQANCHMSA-N 2 2 408.590 3.711 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024713 1073113992 /nfs/dbraw/zinc/11/39/92/1073113992.db2.gz VXXCRHMUBXCMST-JOCHJYFZSA-N 2 2 418.589 3.516 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000555151449 1073204984 /nfs/dbraw/zinc/20/49/84/1073204984.db2.gz YVNNRXCVVWIEGV-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000555151449 1073204989 /nfs/dbraw/zinc/20/49/89/1073204989.db2.gz YVNNRXCVVWIEGV-DEOSSOPVSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377564 1073386984 /nfs/dbraw/zinc/38/69/84/1073386984.db2.gz QRLBAZKHLCSZOK-ZILOHOTNSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377564 1073386990 /nfs/dbraw/zinc/38/69/90/1073386990.db2.gz QRLBAZKHLCSZOK-ZILOHOTNSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000555377564 1073386995 /nfs/dbraw/zinc/38/69/95/1073386995.db2.gz QRLBAZKHLCSZOK-ZILOHOTNSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000555377564 1073386999 /nfs/dbraw/zinc/38/69/99/1073386999.db2.gz QRLBAZKHLCSZOK-ZILOHOTNSA-N 2 2 409.549 3.942 20 0 HHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000589999877 1073441600 /nfs/dbraw/zinc/44/16/00/1073441600.db2.gz KINIQRPSQQCFEW-UHFFFAOYSA-N 2 2 400.336 3.581 20 0 HHADLP C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600052734 1073452556 /nfs/dbraw/zinc/45/25/56/1073452556.db2.gz IHFBZVKOIZWQAU-LJQANCHMSA-N 2 2 420.532 3.971 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509018 1073576524 /nfs/dbraw/zinc/57/65/24/1073576524.db2.gz FRYNZABLRIHQSY-VXKWHMMOSA-N 2 2 400.611 3.511 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509018 1073576529 /nfs/dbraw/zinc/57/65/29/1073576529.db2.gz FRYNZABLRIHQSY-VXKWHMMOSA-N 2 2 400.611 3.511 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156892 1073598399 /nfs/dbraw/zinc/59/83/99/1073598399.db2.gz FVXOGLXEEMIMGI-JQVVWYNYSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000590156892 1073598407 /nfs/dbraw/zinc/59/84/07/1073598407.db2.gz FVXOGLXEEMIMGI-JQVVWYNYSA-N 2 2 409.578 3.977 20 0 HHADLP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560857 1073629931 /nfs/dbraw/zinc/62/99/31/1073629931.db2.gz RBBRIGJQUQIFHK-NRFANRHFSA-N 2 2 413.993 3.843 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560857 1073629934 /nfs/dbraw/zinc/62/99/34/1073629934.db2.gz RBBRIGJQUQIFHK-NRFANRHFSA-N 2 2 413.993 3.843 20 0 HHADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560857 1073629939 /nfs/dbraw/zinc/62/99/39/1073629939.db2.gz RBBRIGJQUQIFHK-NRFANRHFSA-N 2 2 413.993 3.843 20 0 HHADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1Cl ZINC000555560857 1073629941 /nfs/dbraw/zinc/62/99/41/1073629941.db2.gz RBBRIGJQUQIFHK-NRFANRHFSA-N 2 2 413.993 3.843 20 0 HHADLP CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597674 1073665379 /nfs/dbraw/zinc/66/53/79/1073665379.db2.gz LLXWWGMASXSLQN-JWQCQUIFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597674 1073665385 /nfs/dbraw/zinc/66/53/85/1073665385.db2.gz LLXWWGMASXSLQN-JWQCQUIFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597674 1073665391 /nfs/dbraw/zinc/66/53/91/1073665391.db2.gz LLXWWGMASXSLQN-JWQCQUIFSA-N 2 2 409.549 3.791 20 0 HHADLP CN(C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000555597674 1073665395 /nfs/dbraw/zinc/66/53/95/1073665395.db2.gz LLXWWGMASXSLQN-JWQCQUIFSA-N 2 2 409.549 3.791 20 0 HHADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591164113 1074160588 /nfs/dbraw/zinc/16/05/88/1074160588.db2.gz KPLPHJRAWJFFEL-UHFFFAOYSA-N 2 2 408.468 3.805 20 0 HHADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591164113 1074160592 /nfs/dbraw/zinc/16/05/92/1074160592.db2.gz KPLPHJRAWJFFEL-UHFFFAOYSA-N 2 2 408.468 3.805 20 0 HHADLP C[C@H]([C@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000591479844 1074336111 /nfs/dbraw/zinc/33/61/11/1074336111.db2.gz VLLJNZHDYOFULB-RBUKOAKNSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@H]([C@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000591479844 1074336121 /nfs/dbraw/zinc/33/61/21/1074336121.db2.gz VLLJNZHDYOFULB-RBUKOAKNSA-N 2 2 402.583 3.682 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000591520800 1074361538 /nfs/dbraw/zinc/36/15/38/1074361538.db2.gz BGXQWRDTCBMHOE-WMZHIEFXSA-N 2 2 410.562 3.813 20 0 HHADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522928 1074363526 /nfs/dbraw/zinc/36/35/26/1074363526.db2.gz YZBRHKGQOQOVOE-IBGZPJMESA-N 2 2 402.583 3.664 20 0 HHADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591522928 1074363533 /nfs/dbraw/zinc/36/35/33/1074363533.db2.gz YZBRHKGQOQOVOE-IBGZPJMESA-N 2 2 402.583 3.664 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000591523345 1074366406 /nfs/dbraw/zinc/36/64/06/1074366406.db2.gz ZMBRBHXUTXTXPJ-WOJBJXKFSA-N 2 2 402.583 3.856 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000591523345 1074366413 /nfs/dbraw/zinc/36/64/13/1074366413.db2.gz ZMBRBHXUTXTXPJ-WOJBJXKFSA-N 2 2 402.583 3.856 20 0 HHADLP CN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472971 1075617792 /nfs/dbraw/zinc/61/77/92/1075617792.db2.gz AXWYWFVCUONPPM-QGZVFWFLSA-N 2 2 424.570 3.797 20 0 HHADLP CN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472971 1075617793 /nfs/dbraw/zinc/61/77/93/1075617793.db2.gz AXWYWFVCUONPPM-QGZVFWFLSA-N 2 2 424.570 3.797 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474075 1075618669 /nfs/dbraw/zinc/61/86/69/1075618669.db2.gz LMTRTYDUVMGSBZ-UGKGYDQZSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474075 1075618672 /nfs/dbraw/zinc/61/86/72/1075618672.db2.gz LMTRTYDUVMGSBZ-UGKGYDQZSA-N 2 2 401.595 3.513 20 0 HHADLP CCCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OCCC ZINC000601479392 1075621093 /nfs/dbraw/zinc/62/10/93/1075621093.db2.gz YJVRYJMJTNMHHN-NRFANRHFSA-N 2 2 417.594 3.505 20 0 HHADLP CCCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OCCC ZINC000601479392 1075621097 /nfs/dbraw/zinc/62/10/97/1075621097.db2.gz YJVRYJMJTNMHHN-NRFANRHFSA-N 2 2 417.594 3.505 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000602200605 1075717055 /nfs/dbraw/zinc/71/70/55/1075717055.db2.gz DRYDKXKISLMXBS-IBGZPJMESA-N 2 2 424.614 3.748 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000602200605 1075717059 /nfs/dbraw/zinc/71/70/59/1075717059.db2.gz DRYDKXKISLMXBS-IBGZPJMESA-N 2 2 424.614 3.748 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628442 719110516 /nfs/dbraw/zinc/11/05/16/719110516.db2.gz MVOXFYPACPWBOG-XUZZJYLKSA-N 3 2 406.574 3.655 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)CC1 ZINC001164628442 719110522 /nfs/dbraw/zinc/11/05/22/719110522.db2.gz MVOXFYPACPWBOG-XUZZJYLKSA-N 3 2 406.574 3.655 20 0 HHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164712148 720092311 /nfs/dbraw/zinc/09/23/11/720092311.db2.gz VZZLRIPHKCOZMR-NRFANRHFSA-N 2 2 424.593 3.508 20 0 HHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164712148 720092317 /nfs/dbraw/zinc/09/23/17/720092317.db2.gz VZZLRIPHKCOZMR-NRFANRHFSA-N 2 2 424.593 3.508 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164738352 720827113 /nfs/dbraw/zinc/82/71/13/720827113.db2.gz DXAYFZRLLAWALH-QNWVGRARSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164738352 720827114 /nfs/dbraw/zinc/82/71/14/720827114.db2.gz DXAYFZRLLAWALH-QNWVGRARSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739818 720829434 /nfs/dbraw/zinc/82/94/34/720829434.db2.gz IWTOWKQCYLSKDU-MIZPHKNDSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739818 720829437 /nfs/dbraw/zinc/82/94/37/720829437.db2.gz IWTOWKQCYLSKDU-MIZPHKNDSA-N 2 2 402.546 3.514 20 0 HHADLP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747991 720923353 /nfs/dbraw/zinc/92/33/53/720923353.db2.gz FAEHZHCSWUSKKO-NOZRDPDXSA-N 2 2 421.589 3.552 20 0 HHADLP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747991 720923364 /nfs/dbraw/zinc/92/33/64/720923364.db2.gz FAEHZHCSWUSKKO-NOZRDPDXSA-N 2 2 421.589 3.552 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164788059 721467513 /nfs/dbraw/zinc/46/75/13/721467513.db2.gz HYJLCEMSHSGRKD-IBGZPJMESA-N 2 2 405.608 3.537 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SC)cc[nH+]1)CC2 ZINC001164788059 721467516 /nfs/dbraw/zinc/46/75/16/721467516.db2.gz HYJLCEMSHSGRKD-IBGZPJMESA-N 2 2 405.608 3.537 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001165027025 721822934 /nfs/dbraw/zinc/82/29/34/721822934.db2.gz QXUVQMLGRVUJPY-ILWGZMRPSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001165027025 721822935 /nfs/dbraw/zinc/82/29/35/721822935.db2.gz QXUVQMLGRVUJPY-ILWGZMRPSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC001165027025 721822938 /nfs/dbraw/zinc/82/29/38/721822938.db2.gz QXUVQMLGRVUJPY-ILWGZMRPSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]21 ZINC001165027025 721822940 /nfs/dbraw/zinc/82/29/40/721822940.db2.gz QXUVQMLGRVUJPY-ILWGZMRPSA-N 2 2 406.578 3.599 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996148 722212426 /nfs/dbraw/zinc/21/24/26/722212426.db2.gz MBTCKJWXATXDDE-VWLOTQADSA-N 3 2 424.564 3.939 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996148 722212427 /nfs/dbraw/zinc/21/24/27/722212427.db2.gz MBTCKJWXATXDDE-VWLOTQADSA-N 3 2 424.564 3.939 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)[nH+]1 ZINC000301989229 971144862 /nfs/dbraw/zinc/14/48/62/971144862.db2.gz WSMUCQOZHVKDPD-UHFFFAOYSA-N 2 2 418.332 3.628 20 0 HHADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000302148729 971187645 /nfs/dbraw/zinc/18/76/45/971187645.db2.gz KOIASNYVQHCPBT-JOCHJYFZSA-N 2 2 406.917 3.746 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000302794150 971320897 /nfs/dbraw/zinc/32/08/97/971320897.db2.gz NPHHRTAQJFXFTR-JOCHJYFZSA-N 2 2 409.578 3.672 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000302794150 971320904 /nfs/dbraw/zinc/32/09/04/971320904.db2.gz NPHHRTAQJFXFTR-JOCHJYFZSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302796157 971321794 /nfs/dbraw/zinc/32/17/94/971321794.db2.gz PNEKFBNVBNRJLB-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302796157 971321800 /nfs/dbraw/zinc/32/18/00/971321800.db2.gz PNEKFBNVBNRJLB-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302796157 971321809 /nfs/dbraw/zinc/32/18/09/971321809.db2.gz PNEKFBNVBNRJLB-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302796157 971321814 /nfs/dbraw/zinc/32/18/14/971321814.db2.gz PNEKFBNVBNRJLB-DENIHFKCSA-N 2 2 409.578 3.672 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000303414041 971690860 /nfs/dbraw/zinc/69/08/60/971690860.db2.gz VQLZUQJAOMOTHY-QHCPKHFHSA-N 2 2 418.541 3.948 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000303414041 971690866 /nfs/dbraw/zinc/69/08/66/971690866.db2.gz VQLZUQJAOMOTHY-QHCPKHFHSA-N 2 2 418.541 3.948 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303451789 971752261 /nfs/dbraw/zinc/75/22/61/971752261.db2.gz IUDXYHSVQZWSJK-NOTZXAQLSA-N 2 2 415.541 3.867 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303451789 971752279 /nfs/dbraw/zinc/75/22/79/971752279.db2.gz IUDXYHSVQZWSJK-NOTZXAQLSA-N 2 2 415.541 3.867 20 0 HHADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303466680 971769451 /nfs/dbraw/zinc/76/94/51/971769451.db2.gz MSDSWKODVQYPCA-NOTZXAQLSA-N 2 2 419.573 3.545 20 0 HHADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303466680 971769455 /nfs/dbraw/zinc/76/94/55/971769455.db2.gz MSDSWKODVQYPCA-NOTZXAQLSA-N 2 2 419.573 3.545 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178236 1013116849 /nfs/dbraw/zinc/11/68/49/1013116849.db2.gz ABSMJNNHAXSHIK-YADHBBJMSA-N 2 2 416.610 3.526 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178236 1013116852 /nfs/dbraw/zinc/11/68/52/1013116852.db2.gz ABSMJNNHAXSHIK-YADHBBJMSA-N 2 2 416.610 3.526 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(F)cc2)c1 ZINC000537606884 1013147805 /nfs/dbraw/zinc/14/78/05/1013147805.db2.gz WZUOQNVJWLIEGP-NRFANRHFSA-N 2 2 401.507 3.585 20 0 HHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553221627 1013188844 /nfs/dbraw/zinc/18/88/44/1013188844.db2.gz KKVFDKUEVJOSRN-AJSBUHFISA-N 2 2 402.542 3.959 20 0 HHADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553221627 1013188850 /nfs/dbraw/zinc/18/88/50/1013188850.db2.gz KKVFDKUEVJOSRN-AJSBUHFISA-N 2 2 402.542 3.959 20 0 HHADLP O=C1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2N1 ZINC000542473875 1013421185 /nfs/dbraw/zinc/42/11/85/1013421185.db2.gz RWNKGCSKQNCCCZ-NRFANRHFSA-N 2 2 412.965 3.915 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000542508255 1013451927 /nfs/dbraw/zinc/45/19/27/1013451927.db2.gz CTPJTCCTULRSFA-QHCPKHFHSA-N 2 2 424.570 3.548 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508332 1013452120 /nfs/dbraw/zinc/45/21/20/1013452120.db2.gz UKPKCDRUDYHKPF-UNMCSNQZSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508332 1013452142 /nfs/dbraw/zinc/45/21/42/1013452142.db2.gz UKPKCDRUDYHKPF-UNMCSNQZSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508329 1013452245 /nfs/dbraw/zinc/45/22/45/1013452245.db2.gz UKPKCDRUDYHKPF-IFMALSPDSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000542508329 1013452251 /nfs/dbraw/zinc/45/22/51/1013452251.db2.gz UKPKCDRUDYHKPF-IFMALSPDSA-N 2 2 424.570 3.617 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000542508091 1013452397 /nfs/dbraw/zinc/45/23/97/1013452397.db2.gz ZGCRDFPDGRIOSL-NRFANRHFSA-N 2 2 402.966 3.985 20 0 HHADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000542508091 1013452403 /nfs/dbraw/zinc/45/24/03/1013452403.db2.gz ZGCRDFPDGRIOSL-NRFANRHFSA-N 2 2 402.966 3.985 20 0 HHADLP CCCCc1ccc(C(=O)CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797518 964400034 /nfs/dbraw/zinc/40/00/34/964400034.db2.gz AOHAMIBDSNJINV-UHFFFAOYSA-N 2 2 413.606 3.667 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)CC2)CC1 ZINC000051761348 964689236 /nfs/dbraw/zinc/68/92/36/964689236.db2.gz OTWYMVMIRNKFRX-NRFANRHFSA-N 2 2 419.013 3.615 20 0 HHADLP CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759767 964689922 /nfs/dbraw/zinc/68/99/22/964689922.db2.gz OENKUKFYNVVJIC-UHFFFAOYSA-N 2 2 413.393 3.693 20 0 HHADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)s1 ZINC000537976415 1013552721 /nfs/dbraw/zinc/55/27/21/1013552721.db2.gz WRTJXQJZBKMKCS-HZPDHXFCSA-N 2 2 421.998 3.738 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)c2)cc[nH+]1 ZINC000542619473 1013555227 /nfs/dbraw/zinc/55/52/27/1013555227.db2.gz TYVKYCLLYNUIJO-QFIPXVFZSA-N 2 2 421.589 3.981 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000030906972 965828462 /nfs/dbraw/zinc/82/84/62/965828462.db2.gz RWWCLRRWXDBDNG-LLVKDONJSA-N 2 2 418.173 3.794 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000030906972 965828469 /nfs/dbraw/zinc/82/84/69/965828469.db2.gz RWWCLRRWXDBDNG-LLVKDONJSA-N 2 2 418.173 3.794 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058878742 965937817 /nfs/dbraw/zinc/93/78/17/965937817.db2.gz FHYNTWZENXWLMW-LADGPHEKSA-N 2 2 423.626 3.805 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058878742 965937825 /nfs/dbraw/zinc/93/78/25/965937825.db2.gz FHYNTWZENXWLMW-LADGPHEKSA-N 2 2 423.626 3.805 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000538046894 1013619457 /nfs/dbraw/zinc/61/94/57/1013619457.db2.gz HKJMSFXECDAIDV-CALCHBBNSA-N 2 2 421.632 3.962 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000538046894 1013619463 /nfs/dbraw/zinc/61/94/63/1013619463.db2.gz HKJMSFXECDAIDV-CALCHBBNSA-N 2 2 421.632 3.962 20 0 HHADLP COc1ccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000056894339 966505740 /nfs/dbraw/zinc/50/57/40/966505740.db2.gz KIHXXFJSZZJQNO-HSZRJFAPSA-N 2 2 419.529 3.517 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056895190 966506576 /nfs/dbraw/zinc/50/65/76/966506576.db2.gz JMTMRXLSYWCPNC-UHFFFAOYSA-N 2 2 403.530 3.645 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(C[NH+](C)C)c3)n2)C1 ZINC000043546308 966995398 /nfs/dbraw/zinc/99/53/98/966995398.db2.gz QURPZEWMXRZQGS-MRXNPFEDSA-N 2 2 401.580 3.758 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(C[NH+](C)C)c3)n2)C1 ZINC000043546308 966995406 /nfs/dbraw/zinc/99/54/06/966995406.db2.gz QURPZEWMXRZQGS-MRXNPFEDSA-N 2 2 401.580 3.758 20 0 HHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000542844927 1013704348 /nfs/dbraw/zinc/70/43/48/1013704348.db2.gz ZUYCUZQZYGDWIZ-NRFANRHFSA-N 2 2 408.590 3.894 20 0 HHADLP COc1cccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000044836045 967299941 /nfs/dbraw/zinc/29/99/41/967299941.db2.gz ILJNFXGXEIGLRZ-QHCPKHFHSA-N 2 2 404.514 3.507 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000044849937 967302841 /nfs/dbraw/zinc/30/28/41/967302841.db2.gz HQURSLXRYLCFLZ-OAHLLOKOSA-N 2 2 407.345 3.778 20 0 HHADLP Cc1ccc([C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cc1 ZINC000044850326 967303070 /nfs/dbraw/zinc/30/30/70/967303070.db2.gz KOFCSQPGGJJUGD-SANMLTNESA-N 2 2 414.553 3.808 20 0 HHADLP COc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045327827 967423602 /nfs/dbraw/zinc/42/36/02/967423602.db2.gz ZFPYLOCJUPJBMM-QHCPKHFHSA-N 2 2 422.573 3.746 20 0 HHADLP COc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000045327827 967423605 /nfs/dbraw/zinc/42/36/05/967423605.db2.gz ZFPYLOCJUPJBMM-QHCPKHFHSA-N 2 2 422.573 3.746 20 0 HHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000538163198 1013724887 /nfs/dbraw/zinc/72/48/87/1013724887.db2.gz HERHHQINEIKFFI-SFHVURJKSA-N 2 2 401.576 3.530 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542890869 1013736142 /nfs/dbraw/zinc/73/61/42/1013736142.db2.gz HBKLXFGVMMRGEJ-RPBOFIJWSA-N 2 2 422.617 3.946 20 0 HHADLP CN(C(=O)c1ccn(Cc2ccccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542890869 1013736149 /nfs/dbraw/zinc/73/61/49/1013736149.db2.gz HBKLXFGVMMRGEJ-RPBOFIJWSA-N 2 2 422.617 3.946 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000047569986 968240735 /nfs/dbraw/zinc/24/07/35/968240735.db2.gz LKGBDVJWHIFCRT-BGYRXZFFSA-N 2 2 414.594 3.778 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000047569986 968240745 /nfs/dbraw/zinc/24/07/45/968240745.db2.gz LKGBDVJWHIFCRT-BGYRXZFFSA-N 2 2 414.594 3.778 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949030 968374974 /nfs/dbraw/zinc/37/49/74/968374974.db2.gz BUIZZDXQQJMXSU-HSZRJFAPSA-N 2 2 403.530 3.568 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000047970378 968380691 /nfs/dbraw/zinc/38/06/91/968380691.db2.gz OWKWMBCWZSYOPN-UHFFFAOYSA-N 2 2 401.885 3.688 20 0 HHADLP Cc1ccccc1[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000538258709 1013800200 /nfs/dbraw/zinc/80/02/00/1013800200.db2.gz CWVUGLZMJSMNTL-VWLOTQADSA-N 2 2 423.601 3.820 20 0 HHADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccnn1Cc1cccs1 ZINC000048564536 968605045 /nfs/dbraw/zinc/60/50/45/968605045.db2.gz DZAZMESEFQHTCQ-UHFFFAOYSA-N 2 2 415.607 3.519 20 0 HHADLP Cc1c(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000065980789 968748156 /nfs/dbraw/zinc/74/81/56/968748156.db2.gz JDJQRVWMEQOLDN-RUZDIDTESA-N 2 2 418.585 3.657 20 0 HHADLP Cc1c(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000065980789 968748161 /nfs/dbraw/zinc/74/81/61/968748161.db2.gz JDJQRVWMEQOLDN-RUZDIDTESA-N 2 2 418.585 3.657 20 0 HHADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554240732 1013868717 /nfs/dbraw/zinc/86/87/17/1013868717.db2.gz ZMIGLTIXIZLHPF-LJQANCHMSA-N 2 2 401.942 3.509 20 0 HHADLP C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554278612 1013890697 /nfs/dbraw/zinc/89/06/97/1013890697.db2.gz ODWKXNQAYSCGAE-OAQYLSRUSA-N 2 2 416.569 3.891 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122618 969626573 /nfs/dbraw/zinc/62/65/73/969626573.db2.gz HGZNKGIEEGWWLW-DEOSSOPVSA-N 2 2 409.574 3.548 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122618 969626577 /nfs/dbraw/zinc/62/65/77/969626577.db2.gz HGZNKGIEEGWWLW-DEOSSOPVSA-N 2 2 409.574 3.548 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122618 969626581 /nfs/dbraw/zinc/62/65/81/969626581.db2.gz HGZNKGIEEGWWLW-DEOSSOPVSA-N 2 2 409.574 3.548 20 0 HHADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1)C(C)C ZINC000110122618 969626583 /nfs/dbraw/zinc/62/65/83/969626583.db2.gz HGZNKGIEEGWWLW-DEOSSOPVSA-N 2 2 409.574 3.548 20 0 HHADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000111071372 969771705 /nfs/dbraw/zinc/77/17/05/969771705.db2.gz ANIXOTMOHJJCSL-VWLOTQADSA-N 2 2 422.617 3.523 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000195652337 969934587 /nfs/dbraw/zinc/93/45/87/969934587.db2.gz ILEROKFJFXDVFF-HNAYVOBHSA-N 2 2 419.363 3.528 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Br ZINC000195652337 969934589 /nfs/dbraw/zinc/93/45/89/969934589.db2.gz ILEROKFJFXDVFF-HNAYVOBHSA-N 2 2 419.363 3.528 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000554444322 1013951697 /nfs/dbraw/zinc/95/16/97/1013951697.db2.gz GDTZPLBOMZRMHO-YCRNBWNJSA-N 2 2 410.562 3.893 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236627459 970148998 /nfs/dbraw/zinc/14/89/98/970148998.db2.gz BHHVVFXELGBQQM-JOCHJYFZSA-N 2 2 415.965 3.775 20 0 HHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3O)CC2)cc1 ZINC000237142192 970230593 /nfs/dbraw/zinc/23/05/93/970230593.db2.gz VJELWESJIWUHDW-UHFFFAOYSA-N 2 2 404.352 3.979 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000237303951 970259098 /nfs/dbraw/zinc/25/90/98/970259098.db2.gz POJCYTIPCOBBDG-HNNXBMFYSA-N 2 2 412.465 3.536 20 0 HHADLP CC(=O)N(c1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cs1)c1ccc(F)cc1 ZINC000237596773 970318728 /nfs/dbraw/zinc/31/87/28/970318728.db2.gz MVFKYDUSHARHMB-CQSZACIVSA-N 2 2 401.511 3.898 20 0 HHADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000238064031 970431793 /nfs/dbraw/zinc/43/17/93/970431793.db2.gz ZMLVHJAQQMZPAX-UHFFFAOYSA-N 2 2 409.530 3.971 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674856 970557030 /nfs/dbraw/zinc/55/70/30/970557030.db2.gz UXDICXRRXNNVHY-KBPBESRZSA-N 2 2 418.173 3.937 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674856 970557038 /nfs/dbraw/zinc/55/70/38/970557038.db2.gz UXDICXRRXNNVHY-KBPBESRZSA-N 2 2 418.173 3.937 20 0 HHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000388566047 972806979 /nfs/dbraw/zinc/80/69/79/972806979.db2.gz DROGTWWQTMEOMO-KRWDZBQOSA-N 2 2 417.347 3.847 20 0 HHADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000388566047 972806994 /nfs/dbraw/zinc/80/69/94/972806994.db2.gz DROGTWWQTMEOMO-KRWDZBQOSA-N 2 2 417.347 3.847 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[C@H]1c1ccccc1 ZINC000409732400 973207417 /nfs/dbraw/zinc/20/74/17/973207417.db2.gz DWUIQQHRJWPLFV-BAGYTPMASA-N 2 2 407.562 3.554 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[C@H]1c1ccccc1 ZINC000409732400 973207422 /nfs/dbraw/zinc/20/74/22/973207422.db2.gz DWUIQQHRJWPLFV-BAGYTPMASA-N 2 2 407.562 3.554 20 0 HHADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409762096 973238484 /nfs/dbraw/zinc/23/84/84/973238484.db2.gz NJRZXQGJDDZYPQ-CTNGQTDRSA-N 2 2 409.578 3.629 20 0 HHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409762096 973238487 /nfs/dbraw/zinc/23/84/87/973238487.db2.gz NJRZXQGJDDZYPQ-CTNGQTDRSA-N 2 2 409.578 3.629 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000409779029 973255747 /nfs/dbraw/zinc/25/57/47/973255747.db2.gz ZSCTWRFFJQTPLY-LJQANCHMSA-N 2 2 413.541 3.509 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4cnc5ccccc5c4)C3)CC2)nc1 ZINC000410337301 973919695 /nfs/dbraw/zinc/91/96/95/973919695.db2.gz MZWOEMOOGWXBJL-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4cnc5ccccc5c4)C3)CC2)nc1 ZINC000410337301 973919706 /nfs/dbraw/zinc/91/97/06/973919706.db2.gz MZWOEMOOGWXBJL-NRFANRHFSA-N 2 2 401.558 3.664 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930672 974041265 /nfs/dbraw/zinc/04/12/65/974041265.db2.gz YBSLBGUNRPSJNL-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930672 974041290 /nfs/dbraw/zinc/04/12/90/974041290.db2.gz YBSLBGUNRPSJNL-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425930672 974041297 /nfs/dbraw/zinc/04/12/97/974041297.db2.gz YBSLBGUNRPSJNL-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425930672 974041309 /nfs/dbraw/zinc/04/13/09/974041309.db2.gz YBSLBGUNRPSJNL-OAQYLSRUSA-N 2 2 408.464 3.697 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973141 974079556 /nfs/dbraw/zinc/07/95/56/974079556.db2.gz GHYIRXGSYNIEGW-SJORKVTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973141 974079579 /nfs/dbraw/zinc/07/95/79/974079579.db2.gz GHYIRXGSYNIEGW-SJORKVTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973141 974079587 /nfs/dbraw/zinc/07/95/87/974079587.db2.gz GHYIRXGSYNIEGW-SJORKVTESA-N 2 2 420.907 3.659 20 0 HHADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)CCC(F)(F)F ZINC000425973141 974079598 /nfs/dbraw/zinc/07/95/98/974079598.db2.gz GHYIRXGSYNIEGW-SJORKVTESA-N 2 2 420.907 3.659 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccsc1 ZINC000426033758 974155896 /nfs/dbraw/zinc/15/58/96/974155896.db2.gz GQMLUTRBBBLGMK-HBMCJLEFSA-N 2 2 409.559 3.775 20 0 HHADLP Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)cc1 ZINC000426060030 974181750 /nfs/dbraw/zinc/18/17/50/974181750.db2.gz JJESODFLXRVCCE-GMAHTHKFSA-N 2 2 412.622 3.833 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000426788365 974660165 /nfs/dbraw/zinc/66/01/65/974660165.db2.gz MMKQYJQGNVNXJP-OTWHNJEPSA-N 2 2 405.558 3.672 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000426788365 974660168 /nfs/dbraw/zinc/66/01/68/974660168.db2.gz MMKQYJQGNVNXJP-OTWHNJEPSA-N 2 2 405.558 3.672 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689974 975239776 /nfs/dbraw/zinc/23/97/76/975239776.db2.gz KWLWKAJXCPORLJ-RBDMOPTHSA-N 2 2 419.491 3.950 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689974 975239781 /nfs/dbraw/zinc/23/97/81/975239781.db2.gz KWLWKAJXCPORLJ-RBDMOPTHSA-N 2 2 419.491 3.950 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842649 975316914 /nfs/dbraw/zinc/31/69/14/975316914.db2.gz KUEAXIJRVFKUBJ-AUSIDOKSSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000427842649 975316919 /nfs/dbraw/zinc/31/69/19/975316919.db2.gz KUEAXIJRVFKUBJ-AUSIDOKSSA-N 2 2 415.603 3.642 20 0 HHADLP Fc1ccc(C2(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CCCC2)c(Cl)c1 ZINC000427897556 975337477 /nfs/dbraw/zinc/33/74/77/975337477.db2.gz YKMRWAJTMARBOJ-UHFFFAOYSA-N 2 2 424.004 3.677 20 0 HHADLP Fc1ccc(C2(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CCCC2)c(Cl)c1 ZINC000427897556 975337482 /nfs/dbraw/zinc/33/74/82/975337482.db2.gz YKMRWAJTMARBOJ-UHFFFAOYSA-N 2 2 424.004 3.677 20 0 HHADLP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428432924 975747260 /nfs/dbraw/zinc/74/72/60/975747260.db2.gz AEIKKRLEQGBOSP-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428432924 975747266 /nfs/dbraw/zinc/74/72/66/975747266.db2.gz AEIKKRLEQGBOSP-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428432924 975747277 /nfs/dbraw/zinc/74/72/77/975747277.db2.gz AEIKKRLEQGBOSP-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP C[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432924 975747284 /nfs/dbraw/zinc/74/72/84/975747284.db2.gz AEIKKRLEQGBOSP-HSZRJFAPSA-N 2 2 410.949 3.799 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428489107 975788796 /nfs/dbraw/zinc/78/87/96/975788796.db2.gz WIPSKBOHDXDCPC-DEOSSOPVSA-N 2 2 412.578 3.596 20 0 HHADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428489107 975788801 /nfs/dbraw/zinc/78/88/01/975788801.db2.gz WIPSKBOHDXDCPC-DEOSSOPVSA-N 2 2 412.578 3.596 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000428547732 975855600 /nfs/dbraw/zinc/85/56/00/975855600.db2.gz YYLPCNMNJNPTBH-LOSJGSFVSA-N 2 2 410.558 3.625 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000428547732 975855611 /nfs/dbraw/zinc/85/56/11/975855611.db2.gz YYLPCNMNJNPTBH-LOSJGSFVSA-N 2 2 410.558 3.625 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000428702897 975994059 /nfs/dbraw/zinc/99/40/59/975994059.db2.gz UXRAYCFCLTZXBW-JOCHJYFZSA-N 2 2 411.594 3.704 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000428702897 975994065 /nfs/dbraw/zinc/99/40/65/975994065.db2.gz UXRAYCFCLTZXBW-JOCHJYFZSA-N 2 2 411.594 3.704 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428841925 976127654 /nfs/dbraw/zinc/12/76/54/976127654.db2.gz RIOKMJMTBQADMD-UNMCSNQZSA-N 2 2 411.594 3.778 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428841925 976127664 /nfs/dbraw/zinc/12/76/64/976127664.db2.gz RIOKMJMTBQADMD-UNMCSNQZSA-N 2 2 411.594 3.778 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000429089314 976374729 /nfs/dbraw/zinc/37/47/29/976374729.db2.gz FNYWRYZKHWKGCP-WTOYTKOKSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429089314 976374741 /nfs/dbraw/zinc/37/47/41/976374741.db2.gz FNYWRYZKHWKGCP-WTOYTKOKSA-N 2 2 422.013 3.903 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976712011 /nfs/dbraw/zinc/71/20/11/976712011.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[NH+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976712020 /nfs/dbraw/zinc/71/20/20/976712020.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976712029 /nfs/dbraw/zinc/71/20/29/976712029.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 3 2 419.613 3.778 20 0 HHADLP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C[C@@H]4C[N@@H+](Cc5ccccc5)CCCO4)[C@@H]3C2)cc1 ZINC000429432421 976712032 /nfs/dbraw/zinc/71/20/32/976712032.db2.gz XCIBUANHKBOJOD-FICKONGGSA-N 3 2 419.613 3.778 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634635 976924334 /nfs/dbraw/zinc/92/43/34/976924334.db2.gz LZDHVKFBKHEECK-VOQZNFBZSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000429634635 976924344 /nfs/dbraw/zinc/92/43/44/976924344.db2.gz LZDHVKFBKHEECK-VOQZNFBZSA-N 2 2 416.614 3.655 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807558 977081949 /nfs/dbraw/zinc/08/19/49/977081949.db2.gz NYMFVXNIWFZXBN-OFVILXPXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807558 977081966 /nfs/dbraw/zinc/08/19/66/977081966.db2.gz NYMFVXNIWFZXBN-OFVILXPXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807558 977081974 /nfs/dbraw/zinc/08/19/74/977081974.db2.gz NYMFVXNIWFZXBN-OFVILXPXSA-N 2 2 407.602 3.987 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000429807558 977081985 /nfs/dbraw/zinc/08/19/85/977081985.db2.gz NYMFVXNIWFZXBN-OFVILXPXSA-N 2 2 407.602 3.987 20 0 HHADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430911947 977881409 /nfs/dbraw/zinc/88/14/09/977881409.db2.gz JOVVFEIIKHWIPS-HXUWFJFHSA-N 3 2 414.638 3.704 20 0 HHADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430911947 977881422 /nfs/dbraw/zinc/88/14/22/977881422.db2.gz JOVVFEIIKHWIPS-HXUWFJFHSA-N 3 2 414.638 3.704 20 0 HHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914278 977883346 /nfs/dbraw/zinc/88/33/46/977883346.db2.gz IXMQLEDYRWEEOP-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914278 977883348 /nfs/dbraw/zinc/88/33/48/977883348.db2.gz IXMQLEDYRWEEOP-GOSISDBHSA-N 3 2 421.029 3.795 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430967967 977918409 /nfs/dbraw/zinc/91/84/09/977918409.db2.gz WJFMECLEMWQQJK-NRFANRHFSA-N 2 2 415.969 3.765 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430967967 977918415 /nfs/dbraw/zinc/91/84/15/977918415.db2.gz WJFMECLEMWQQJK-NRFANRHFSA-N 2 2 415.969 3.765 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431860205 978556923 /nfs/dbraw/zinc/55/69/23/978556923.db2.gz PPOBUELSXJZMQE-NRFANRHFSA-N 2 2 408.590 3.977 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431860205 978556925 /nfs/dbraw/zinc/55/69/25/978556925.db2.gz PPOBUELSXJZMQE-NRFANRHFSA-N 2 2 408.590 3.977 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909361 978593414 /nfs/dbraw/zinc/59/34/14/978593414.db2.gz MYVVFSQTURYMPZ-YFNKSVMNSA-N 2 2 413.606 3.521 20 0 HHADLP COc1ccc2c(c1)[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000431909361 978593418 /nfs/dbraw/zinc/59/34/18/978593418.db2.gz MYVVFSQTURYMPZ-YFNKSVMNSA-N 2 2 413.606 3.521 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[C@@H](C)O1 ZINC000432671082 978931191 /nfs/dbraw/zinc/93/11/91/978931191.db2.gz PXTPUSHCDLGGBN-XUVXKRRUSA-N 2 2 414.594 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C[C@@H](C)O1 ZINC000432671082 978931196 /nfs/dbraw/zinc/93/11/96/978931196.db2.gz PXTPUSHCDLGGBN-XUVXKRRUSA-N 2 2 414.594 3.634 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)CC1 ZINC000432741254 978955151 /nfs/dbraw/zinc/95/51/51/978955151.db2.gz FHSUACMDSACLEH-UHFFFAOYSA-N 2 2 416.368 3.899 20 0 HHADLP CCOc1ccc2c(c1)CC[N@@H+](CC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000432775481 978970859 /nfs/dbraw/zinc/97/08/59/978970859.db2.gz UURHOHNQIXXADG-UHFFFAOYSA-N 2 2 421.585 3.533 20 0 HHADLP CCOc1ccc2c(c1)CC[N@H+](CC(=O)NC1CC[NH+](Cc3ccccc3C)CC1)C2 ZINC000432775481 978970860 /nfs/dbraw/zinc/97/08/60/978970860.db2.gz UURHOHNQIXXADG-UHFFFAOYSA-N 2 2 421.585 3.533 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000432962711 979025745 /nfs/dbraw/zinc/02/57/45/979025745.db2.gz SFXPZVOZNYIJSI-VQTJNVASSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000432962711 979025750 /nfs/dbraw/zinc/02/57/50/979025750.db2.gz SFXPZVOZNYIJSI-VQTJNVASSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C[NH+]2CCC[C@H](OC)C2)C1 ZINC000432962711 979025753 /nfs/dbraw/zinc/02/57/53/979025753.db2.gz SFXPZVOZNYIJSI-VQTJNVASSA-N 2 2 411.384 3.671 20 0 HHADLP CO[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C[NH+]2CCC[C@H](OC)C2)C1 ZINC000432962711 979025757 /nfs/dbraw/zinc/02/57/57/979025757.db2.gz SFXPZVOZNYIJSI-VQTJNVASSA-N 2 2 411.384 3.671 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433372880 979260408 /nfs/dbraw/zinc/26/04/08/979260408.db2.gz FIZRUQTUXSXESZ-SFTDATJTSA-N 2 2 416.569 3.747 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433372872 979260822 /nfs/dbraw/zinc/26/08/22/979260822.db2.gz FIZRUQTUXSXESZ-ACWUQQCTSA-N 2 2 416.569 3.747 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433372872 979260829 /nfs/dbraw/zinc/26/08/29/979260829.db2.gz FIZRUQTUXSXESZ-ACWUQQCTSA-N 2 2 416.569 3.747 20 0 HHADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc4cccc(Br)c4n3)CC2)CC1 ZINC000433525473 979358456 /nfs/dbraw/zinc/35/84/56/979358456.db2.gz ORCHWSWTXAUHNO-UHFFFAOYSA-N 2 2 417.395 3.992 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903222 979665076 /nfs/dbraw/zinc/66/50/76/979665076.db2.gz GURGNFMQEXVFNY-FFZOFVMBSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903222 979665082 /nfs/dbraw/zinc/66/50/82/979665082.db2.gz GURGNFMQEXVFNY-FFZOFVMBSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903222 979665088 /nfs/dbraw/zinc/66/50/88/979665088.db2.gz GURGNFMQEXVFNY-FFZOFVMBSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433903222 979665093 /nfs/dbraw/zinc/66/50/93/979665093.db2.gz GURGNFMQEXVFNY-FFZOFVMBSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433934271 979693366 /nfs/dbraw/zinc/69/33/66/979693366.db2.gz OPUYEMWIWMYAFU-BGYRXZFFSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433934271 979693370 /nfs/dbraw/zinc/69/33/70/979693370.db2.gz OPUYEMWIWMYAFU-BGYRXZFFSA-N 2 2 415.626 3.867 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433995671 979743840 /nfs/dbraw/zinc/74/38/40/979743840.db2.gz VWUUMOMAZCCAMT-AUSIDOKSSA-N 2 2 408.546 3.819 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433995671 979743847 /nfs/dbraw/zinc/74/38/47/979743847.db2.gz VWUUMOMAZCCAMT-AUSIDOKSSA-N 2 2 408.546 3.819 20 0 HHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(C(F)(F)F)cc1 ZINC000434083644 979831233 /nfs/dbraw/zinc/83/12/33/979831233.db2.gz DRVWPKKNBLOFIB-SFHVURJKSA-N 2 2 423.483 3.827 20 0 HHADLP CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000434107618 979859033 /nfs/dbraw/zinc/85/90/33/979859033.db2.gz YFLAIOOCUAHIMY-JOCHJYFZSA-N 2 2 404.574 3.723 20 0 HHADLP C[C@H]1CCC[C@@](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)([NH+](C)C)C1 ZINC000434268746 980030349 /nfs/dbraw/zinc/03/03/49/980030349.db2.gz DHFMSMDNMJDYFP-FDDCHVKYSA-N 2 2 401.599 3.619 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434466846 980198342 /nfs/dbraw/zinc/19/83/42/980198342.db2.gz GSRQOVGWOXZWSH-GSPCLOLRSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434466846 980198343 /nfs/dbraw/zinc/19/83/43/980198343.db2.gz GSRQOVGWOXZWSH-GSPCLOLRSA-N 2 2 416.585 3.660 20 0 HHADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434669228 980330599 /nfs/dbraw/zinc/33/05/99/980330599.db2.gz HEABRAGTGGYWSW-UHFFFAOYSA-N 2 2 424.589 3.640 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H]1CCCc2ccccc21 ZINC000434682278 980336486 /nfs/dbraw/zinc/33/64/86/980336486.db2.gz VOVROBRQKRWILK-QHCPKHFHSA-N 2 2 406.574 3.935 20 0 HHADLP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687727 980340614 /nfs/dbraw/zinc/34/06/14/980340614.db2.gz FNYCDQDCTXLJMW-QGZVFWFLSA-N 2 2 410.587 3.926 20 0 HHADLP FC(F)Oc1cc2c(cc1C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)OCO2 ZINC000435057260 980601559 /nfs/dbraw/zinc/60/15/59/980601559.db2.gz JNMWYXYVMGHOGN-UHFFFAOYSA-N 2 2 405.445 3.929 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000435643654 980972554 /nfs/dbraw/zinc/97/25/54/980972554.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000435643654 980972559 /nfs/dbraw/zinc/97/25/59/980972559.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000435643654 980972562 /nfs/dbraw/zinc/97/25/62/980972562.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000435643654 980972566 /nfs/dbraw/zinc/97/25/66/980972566.db2.gz DKVYDIXPCWPAIK-UHFFFAOYSA-N 2 2 423.561 3.519 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379029 981336709 /nfs/dbraw/zinc/33/67/09/981336709.db2.gz VUSKNJQLZABQBW-GOTSBHOMSA-N 2 2 417.557 3.538 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)CC1 ZINC000436379029 981336714 /nfs/dbraw/zinc/33/67/14/981336714.db2.gz VUSKNJQLZABQBW-GOTSBHOMSA-N 2 2 417.557 3.538 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600192 981467909 /nfs/dbraw/zinc/46/79/09/981467909.db2.gz DPBAXKALNGVUOA-FCHUYYIVSA-N 2 2 401.595 3.925 20 0 HHADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000436600192 981467911 /nfs/dbraw/zinc/46/79/11/981467911.db2.gz DPBAXKALNGVUOA-FCHUYYIVSA-N 2 2 401.595 3.925 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448234782 981644378 /nfs/dbraw/zinc/64/43/78/981644378.db2.gz RELSSLXBFYSIJT-LPHOPBHVSA-N 2 2 403.596 3.610 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448234782 981644380 /nfs/dbraw/zinc/64/43/80/981644380.db2.gz RELSSLXBFYSIJT-LPHOPBHVSA-N 2 2 403.596 3.610 20 0 HHADLP CC(C)[C@@H]1C[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000448257265 981658287 /nfs/dbraw/zinc/65/82/87/981658287.db2.gz QODGCWFIRVBNNL-CVDCTZTESA-N 2 2 400.611 3.581 20 0 HHADLP CC(C)[C@@H]1C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000448257265 981658293 /nfs/dbraw/zinc/65/82/93/981658293.db2.gz QODGCWFIRVBNNL-CVDCTZTESA-N 2 2 400.611 3.581 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372255 981731128 /nfs/dbraw/zinc/73/11/28/981731128.db2.gz CBPXNMRZTBPFCP-QHAWAJNXSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372255 981731132 /nfs/dbraw/zinc/73/11/32/981731132.db2.gz CBPXNMRZTBPFCP-QHAWAJNXSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372255 981731136 /nfs/dbraw/zinc/73/11/36/981731136.db2.gz CBPXNMRZTBPFCP-QHAWAJNXSA-N 2 2 416.610 3.785 20 0 HHADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000448372255 981731139 /nfs/dbraw/zinc/73/11/39/981731139.db2.gz CBPXNMRZTBPFCP-QHAWAJNXSA-N 2 2 416.610 3.785 20 0 HHADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525528 981854095 /nfs/dbraw/zinc/85/40/95/981854095.db2.gz RFMDIAZWBIOZAW-SCWSEQNSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525528 981854105 /nfs/dbraw/zinc/85/41/05/981854105.db2.gz RFMDIAZWBIOZAW-SCWSEQNSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525528 981854114 /nfs/dbraw/zinc/85/41/14/981854114.db2.gz RFMDIAZWBIOZAW-SCWSEQNSSA-N 2 2 424.992 3.815 20 0 HHADLP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)[C@@H](C)C1 ZINC000448525528 981854121 /nfs/dbraw/zinc/85/41/21/981854121.db2.gz RFMDIAZWBIOZAW-SCWSEQNSSA-N 2 2 424.992 3.815 20 0 HHADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000437538474 982167660 /nfs/dbraw/zinc/16/76/60/982167660.db2.gz PKNSCKOBJAROOI-UHFFFAOYSA-N 2 2 424.593 3.561 20 0 HHADLP Cc1cc(OCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C(C)C ZINC000460488387 982278434 /nfs/dbraw/zinc/27/84/34/982278434.db2.gz BJAGESORRAYCCK-UHFFFAOYSA-N 2 2 401.595 3.564 20 0 HHADLP C[NH+]1CCC(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460490817 982280732 /nfs/dbraw/zinc/28/07/32/982280732.db2.gz MWQYSDREAOLFBR-UHFFFAOYSA-N 2 2 407.986 3.564 20 0 HHADLP C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460496135 982285251 /nfs/dbraw/zinc/28/52/51/982285251.db2.gz XWLHLQKFZNGCIN-HXUWFJFHSA-N 2 2 415.622 3.818 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000460503927 982292790 /nfs/dbraw/zinc/29/27/90/982292790.db2.gz NARWALKVFZVMEO-VQTJNVASSA-N 2 2 423.523 3.875 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2csc(-c3cccs3)n2)([NH+]2CCCCC2)CC1 ZINC000460505884 982294852 /nfs/dbraw/zinc/29/48/52/982294852.db2.gz XFRTXMXOOOQDLF-UHFFFAOYSA-N 2 2 404.605 3.552 20 0 HHADLP CCCN(CC)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460506040 982294909 /nfs/dbraw/zinc/29/49/09/982294909.db2.gz ZDTACWZEIKKUOY-UHFFFAOYSA-N 2 2 400.611 3.603 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103846 982590093 /nfs/dbraw/zinc/59/00/93/982590093.db2.gz LIDWIKQQXSGCFO-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103846 982590098 /nfs/dbraw/zinc/59/00/98/982590098.db2.gz LIDWIKQQXSGCFO-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103846 982590103 /nfs/dbraw/zinc/59/01/03/982590103.db2.gz LIDWIKQQXSGCFO-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103846 982590106 /nfs/dbraw/zinc/59/01/06/982590106.db2.gz LIDWIKQQXSGCFO-GCJKJVERSA-N 2 2 412.578 3.548 20 0 HHADLP CC(C)Oc1ccc(F)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000438121101 982598315 /nfs/dbraw/zinc/59/83/15/982598315.db2.gz TXBCPWRBSSPJJS-UHFFFAOYSA-N 2 2 406.546 3.685 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)([NH+]2CCCCC2)CC1 ZINC000461300221 983000354 /nfs/dbraw/zinc/00/03/54/983000354.db2.gz XALGQGHTAYCPOS-UHFFFAOYSA-N 2 2 416.953 3.675 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467194 983129441 /nfs/dbraw/zinc/12/94/41/983129441.db2.gz MVZYQAWRISYUST-DEOSSOPVSA-N 2 2 416.569 3.892 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467194 983129444 /nfs/dbraw/zinc/12/94/44/983129444.db2.gz MVZYQAWRISYUST-DEOSSOPVSA-N 2 2 416.569 3.892 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)([NH+]2CCCCC2)CC1 ZINC000439320696 983363947 /nfs/dbraw/zinc/36/39/47/983363947.db2.gz BUYJNZWCIXJPPN-ZWKOTPCHSA-N 2 2 418.548 3.605 20 0 HHADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602277 983467355 /nfs/dbraw/zinc/46/73/55/983467355.db2.gz FHACRYHJZKXNMQ-FUHIMQAGSA-N 2 2 404.580 4.215 20 0 HHADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602277 983467360 /nfs/dbraw/zinc/46/73/60/983467360.db2.gz FHACRYHJZKXNMQ-FUHIMQAGSA-N 2 2 404.580 4.215 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955603 983593802 /nfs/dbraw/zinc/59/38/02/983593802.db2.gz JPCBSEYRFHADRT-SQGPQFPESA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955603 983593804 /nfs/dbraw/zinc/59/38/04/983593804.db2.gz JPCBSEYRFHADRT-SQGPQFPESA-N 2 2 420.479 3.664 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000440698549 983858297 /nfs/dbraw/zinc/85/82/97/983858297.db2.gz ZJJRMXFBEXYJAZ-XMMPIXPASA-N 2 2 422.598 3.856 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710307 983863724 /nfs/dbraw/zinc/86/37/24/983863724.db2.gz GLGGCTRZWZDYFO-QZTJIDSGSA-N 2 2 405.612 3.715 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710307 983863729 /nfs/dbraw/zinc/86/37/29/983863729.db2.gz GLGGCTRZWZDYFO-QZTJIDSGSA-N 2 2 405.612 3.715 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000440816370 983919447 /nfs/dbraw/zinc/91/94/47/983919447.db2.gz YKDMELHIYOXYKI-HSZRJFAPSA-N 2 2 405.546 3.802 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876598 983946913 /nfs/dbraw/zinc/94/69/13/983946913.db2.gz RLPSNZDEIQBAIS-FYYLOGMGSA-N 2 2 409.578 3.805 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876598 983946915 /nfs/dbraw/zinc/94/69/15/983946915.db2.gz RLPSNZDEIQBAIS-FYYLOGMGSA-N 2 2 409.578 3.805 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000441058519 984048056 /nfs/dbraw/zinc/04/80/56/984048056.db2.gz HHHADYAZCUNSNF-UHFFFAOYSA-N 2 2 402.970 3.985 20 0 HHADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441355952 984204295 /nfs/dbraw/zinc/20/42/95/984204295.db2.gz LHGQPUVRANLYAZ-DEOSSOPVSA-N 2 2 409.574 3.719 20 0 HHADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441355952 984204298 /nfs/dbraw/zinc/20/42/98/984204298.db2.gz LHGQPUVRANLYAZ-DEOSSOPVSA-N 2 2 409.574 3.719 20 0 HHADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378855 984219587 /nfs/dbraw/zinc/21/95/87/984219587.db2.gz NDRBIORBDXUJLT-ZJSXRUAMSA-N 2 2 420.557 3.723 20 0 HHADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378854 984219905 /nfs/dbraw/zinc/21/99/05/984219905.db2.gz NDRBIORBDXUJLT-XUZZJYLKSA-N 2 2 420.557 3.723 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000441380421 984220238 /nfs/dbraw/zinc/22/02/38/984220238.db2.gz FYOIIRZBIAQSTO-LEWJYISDSA-N 2 2 404.514 3.645 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000441382096 984221429 /nfs/dbraw/zinc/22/14/29/984221429.db2.gz IVYZJTGALSPVON-YLJYHZDGSA-N 2 2 406.486 3.587 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395927 984228765 /nfs/dbraw/zinc/22/87/65/984228765.db2.gz PTEZHXKINREUBW-VWKPWSFCSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441395927 984228770 /nfs/dbraw/zinc/22/87/70/984228770.db2.gz PTEZHXKINREUBW-VWKPWSFCSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441395927 984228775 /nfs/dbraw/zinc/22/87/75/984228775.db2.gz PTEZHXKINREUBW-VWKPWSFCSA-N 2 2 407.961 3.775 20 0 HHADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441395927 984228779 /nfs/dbraw/zinc/22/87/79/984228779.db2.gz PTEZHXKINREUBW-VWKPWSFCSA-N 2 2 407.961 3.775 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395944 984228792 /nfs/dbraw/zinc/22/87/92/984228792.db2.gz BCIUITXCCVUBKA-CWFSZBLJSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395944 984228797 /nfs/dbraw/zinc/22/87/97/984228797.db2.gz BCIUITXCCVUBKA-CWFSZBLJSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395944 984228803 /nfs/dbraw/zinc/22/88/03/984228803.db2.gz BCIUITXCCVUBKA-CWFSZBLJSA-N 2 2 407.480 3.759 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000441395944 984228808 /nfs/dbraw/zinc/22/88/08/984228808.db2.gz BCIUITXCCVUBKA-CWFSZBLJSA-N 2 2 407.480 3.759 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400788 984232279 /nfs/dbraw/zinc/23/22/79/984232279.db2.gz DZGIOBGNKFLNEP-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400788 984232283 /nfs/dbraw/zinc/23/22/83/984232283.db2.gz DZGIOBGNKFLNEP-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400788 984232288 /nfs/dbraw/zinc/23/22/88/984232288.db2.gz DZGIOBGNKFLNEP-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400788 984232291 /nfs/dbraw/zinc/23/22/91/984232291.db2.gz DZGIOBGNKFLNEP-OXQOHEQNSA-N 2 2 410.389 3.901 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419154 984240967 /nfs/dbraw/zinc/24/09/67/984240967.db2.gz JLIGPIMQJHXDIU-OFNKIYASSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419154 984240977 /nfs/dbraw/zinc/24/09/77/984240977.db2.gz JLIGPIMQJHXDIU-OFNKIYASSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419154 984240984 /nfs/dbraw/zinc/24/09/84/984240984.db2.gz JLIGPIMQJHXDIU-OFNKIYASSA-N 2 2 411.590 3.573 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1OC1CCCC1 ZINC000441419154 984240993 /nfs/dbraw/zinc/24/09/93/984240993.db2.gz JLIGPIMQJHXDIU-OFNKIYASSA-N 2 2 411.590 3.573 20 0 HHADLP CC[N@H+](CCC(=O)NCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441617002 984358338 /nfs/dbraw/zinc/35/83/38/984358338.db2.gz VCYGEKOEVZOWPC-UHFFFAOYSA-N 2 2 414.981 3.980 20 0 HHADLP CC[N@@H+](CCC(=O)NCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441617002 984358344 /nfs/dbraw/zinc/35/83/44/984358344.db2.gz VCYGEKOEVZOWPC-UHFFFAOYSA-N 2 2 414.981 3.980 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000441623108 984360708 /nfs/dbraw/zinc/36/07/08/984360708.db2.gz SSHGGBAJSVGEQH-JOCHJYFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000441623108 984360715 /nfs/dbraw/zinc/36/07/15/984360715.db2.gz SSHGGBAJSVGEQH-JOCHJYFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000441623108 984360721 /nfs/dbraw/zinc/36/07/21/984360721.db2.gz SSHGGBAJSVGEQH-JOCHJYFZSA-N 2 2 411.615 3.821 20 0 HHADLP CSc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000441623108 984360727 /nfs/dbraw/zinc/36/07/27/984360727.db2.gz SSHGGBAJSVGEQH-JOCHJYFZSA-N 2 2 411.615 3.821 20 0 HHADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462057538 985031001 /nfs/dbraw/zinc/03/10/01/985031001.db2.gz KNOHADDUHRHBHS-LJQANCHMSA-N 2 2 416.953 3.708 20 0 HHADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462057538 985031017 /nfs/dbraw/zinc/03/10/17/985031017.db2.gz KNOHADDUHRHBHS-LJQANCHMSA-N 2 2 416.953 3.708 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000462212618 985192948 /nfs/dbraw/zinc/19/29/48/985192948.db2.gz UZJCDRVRKSRJEJ-GOSISDBHSA-N 2 2 404.624 3.791 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000462513786 985464558 /nfs/dbraw/zinc/46/45/58/985464558.db2.gz ACFONTFEPYJWFS-DENIHFKCSA-N 2 2 412.603 3.973 20 0 HHADLP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)CCO1 ZINC000443506535 985677796 /nfs/dbraw/zinc/67/77/96/985677796.db2.gz GELMCLUBPNYQEC-ZDUSSCGKSA-N 2 2 408.315 3.826 20 0 HHADLP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)CCO1 ZINC000443506535 985677806 /nfs/dbraw/zinc/67/78/06/985677806.db2.gz GELMCLUBPNYQEC-ZDUSSCGKSA-N 2 2 408.315 3.826 20 0 HHADLP Cc1cc(N2CC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)ccc1Br ZINC000462843569 985767597 /nfs/dbraw/zinc/76/75/97/985767597.db2.gz JTUWKGRKJHIZJS-SFHVURJKSA-N 2 2 408.384 3.715 20 0 HHADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)c2ccccc21 ZINC000462846256 985770678 /nfs/dbraw/zinc/77/06/78/985770678.db2.gz RUSPNICUZZLTRO-SFHVURJKSA-N 2 2 401.982 3.940 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000462910170 985840756 /nfs/dbraw/zinc/84/07/56/985840756.db2.gz CQJLQWQKUCQTQA-UHFFFAOYSA-N 2 2 401.482 3.520 20 0 HHADLP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(Br)cc1OCCCO ZINC000463031869 985991491 /nfs/dbraw/zinc/99/14/91/985991491.db2.gz GMQHITZSKGSTCI-CQSZACIVSA-N 2 2 408.340 3.522 20 0 HHADLP CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000468297131 985996026 /nfs/dbraw/zinc/99/60/26/985996026.db2.gz PMYOYZMZWBCFMT-UHFFFAOYSA-N 2 2 418.632 3.715 20 0 HHADLP CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000468297131 985996046 /nfs/dbraw/zinc/99/60/46/985996046.db2.gz PMYOYZMZWBCFMT-UHFFFAOYSA-N 2 2 418.632 3.715 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077060 986034535 /nfs/dbraw/zinc/03/45/35/986034535.db2.gz MFDPAVITWIWUHI-RDGATRHJSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077060 986034547 /nfs/dbraw/zinc/03/45/47/986034547.db2.gz MFDPAVITWIWUHI-RDGATRHJSA-N 2 2 423.601 3.540 20 0 HHADLP O[C@@H]1CCC[C@@]1(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC000463238712 986206515 /nfs/dbraw/zinc/20/65/15/986206515.db2.gz QKJOBDCEWOQPBR-UXHICEINSA-N 2 2 402.476 3.906 20 0 HHADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468504623 986206547 /nfs/dbraw/zinc/20/65/47/986206547.db2.gz AUWGFCSNUMURKM-XZOQPEGZSA-N 2 2 422.960 3.959 20 0 HHADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468504623 986206559 /nfs/dbraw/zinc/20/65/59/986206559.db2.gz AUWGFCSNUMURKM-XZOQPEGZSA-N 2 2 422.960 3.959 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444047996 986246540 /nfs/dbraw/zinc/24/65/40/986246540.db2.gz PNSMNECTAYRJEC-KNQAVFIVSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444047996 986246550 /nfs/dbraw/zinc/24/65/50/986246550.db2.gz PNSMNECTAYRJEC-KNQAVFIVSA-N 2 2 409.578 3.741 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197987 986376222 /nfs/dbraw/zinc/37/62/22/986376222.db2.gz SQSMGSCCVPBPBL-ZRCGQRJVSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197987 986376230 /nfs/dbraw/zinc/37/62/30/986376230.db2.gz SQSMGSCCVPBPBL-ZRCGQRJVSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197982 986376418 /nfs/dbraw/zinc/37/64/18/986376418.db2.gz SQSMGSCCVPBPBL-TXTKFYIRSA-N 2 2 423.605 3.987 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)c1 ZINC000468817420 986526772 /nfs/dbraw/zinc/52/67/72/986526772.db2.gz CVQBJJFZKZBRBQ-LJQANCHMSA-N 2 2 416.525 3.775 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000468862271 986571651 /nfs/dbraw/zinc/57/16/51/986571651.db2.gz HJDVQLORGMMSJM-CVDCTZTESA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000468862271 986571656 /nfs/dbraw/zinc/57/16/56/986571656.db2.gz HJDVQLORGMMSJM-CVDCTZTESA-N 2 2 408.546 3.676 20 0 HHADLP CCC[N@H+](Cc1nncn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444659014 986839421 /nfs/dbraw/zinc/83/94/21/986839421.db2.gz ORBATLGVGUHEHY-UHFFFAOYSA-N 2 2 405.550 3.555 20 0 HHADLP CCC[N@@H+](Cc1nncn1-c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444659014 986839433 /nfs/dbraw/zinc/83/94/33/986839433.db2.gz ORBATLGVGUHEHY-UHFFFAOYSA-N 2 2 405.550 3.555 20 0 HHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188834 986913964 /nfs/dbraw/zinc/91/39/64/986913964.db2.gz HMASWYUKPIPMGA-KKSFZXQISA-N 2 2 410.953 3.624 20 0 HHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188834 986913969 /nfs/dbraw/zinc/91/39/69/986913969.db2.gz HMASWYUKPIPMGA-KKSFZXQISA-N 2 2 410.953 3.624 20 0 HHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791445 986946353 /nfs/dbraw/zinc/94/63/53/986946353.db2.gz MXXIVMGZOZPGJN-DENIHFKCSA-N 2 2 404.514 3.988 20 0 HHADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444791445 986946363 /nfs/dbraw/zinc/94/63/63/986946363.db2.gz MXXIVMGZOZPGJN-DENIHFKCSA-N 2 2 404.514 3.988 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CC1 ZINC000444843148 987001823 /nfs/dbraw/zinc/00/18/23/987001823.db2.gz AKGQJYBUNMATIK-UHFFFAOYSA-N 2 2 412.500 3.862 20 0 HHADLP Cc1ccccc1C[C@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000445140207 987236811 /nfs/dbraw/zinc/23/68/11/987236811.db2.gz OLPJUHUHINGSIJ-NRFANRHFSA-N 2 2 400.611 3.518 20 0 HHADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707461 987363643 /nfs/dbraw/zinc/36/36/43/987363643.db2.gz IXZVYSMOXNMWJM-QZTJIDSGSA-N 2 2 420.479 3.743 20 0 HHADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000469707461 987363652 /nfs/dbraw/zinc/36/36/52/987363652.db2.gz IXZVYSMOXNMWJM-QZTJIDSGSA-N 2 2 420.479 3.743 20 0 HHADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469763480 987416439 /nfs/dbraw/zinc/41/64/39/987416439.db2.gz JVRQTXNXFRBIIP-QFIPXVFZSA-N 2 2 416.516 3.845 20 0 HHADLP Cc1ccc(S(=O)(=O)CCC[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000469768636 987420667 /nfs/dbraw/zinc/42/06/67/987420667.db2.gz LEXOGYLBXJZGGM-NHCUHLMSSA-N 2 2 414.615 3.905 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469769337 987421302 /nfs/dbraw/zinc/42/13/02/987421302.db2.gz OQEWSHRTNSHGRJ-HZPDHXFCSA-N 2 2 415.607 3.520 20 0 HHADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccncc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469778404 987427254 /nfs/dbraw/zinc/42/72/54/987427254.db2.gz CINAWMUCMDJBCA-OAQYLSRUSA-N 2 2 406.496 3.957 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000469788387 987433764 /nfs/dbraw/zinc/43/37/64/987433764.db2.gz UFNHPCURIFOHQY-RDJZCZTQSA-N 2 2 423.399 3.562 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000469788387 987433766 /nfs/dbraw/zinc/43/37/66/987433766.db2.gz UFNHPCURIFOHQY-RDJZCZTQSA-N 2 2 423.399 3.562 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000470102505 988004595 /nfs/dbraw/zinc/00/45/95/988004595.db2.gz CCFBZPTUHMVJRZ-KGLIPLIRSA-N 2 2 403.162 3.510 20 0 HHADLP Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000470102505 988004607 /nfs/dbraw/zinc/00/46/07/988004607.db2.gz CCFBZPTUHMVJRZ-KGLIPLIRSA-N 2 2 403.162 3.510 20 0 HHADLP CCOC(=O)[C@](C)(C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)c1ccccc1 ZINC000470153326 988062905 /nfs/dbraw/zinc/06/29/05/988062905.db2.gz RYSBUGRFDJBSDP-JOCHJYFZSA-N 2 2 401.576 3.520 20 0 HHADLP CCOC(=O)[C@](C)(C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000470153326 988062917 /nfs/dbraw/zinc/06/29/17/988062917.db2.gz RYSBUGRFDJBSDP-JOCHJYFZSA-N 2 2 401.576 3.520 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464083805 988204169 /nfs/dbraw/zinc/20/41/69/988204169.db2.gz WNMUHBSEMUUJQQ-FCHUYYIVSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cc2c(cn1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464083805 988204175 /nfs/dbraw/zinc/20/41/75/988204175.db2.gz WNMUHBSEMUUJQQ-FCHUYYIVSA-N 2 2 413.610 3.761 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291550 988249743 /nfs/dbraw/zinc/24/97/43/988249743.db2.gz ZSQUOEWSZNHROA-OALUTQOASA-N 2 2 422.451 3.566 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464319847 988452212 /nfs/dbraw/zinc/45/22/12/988452212.db2.gz QZTLSVDDMAMRPO-IAGOWNOFSA-N 2 2 401.473 3.708 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464319847 988452221 /nfs/dbraw/zinc/45/22/21/988452221.db2.gz QZTLSVDDMAMRPO-IAGOWNOFSA-N 2 2 401.473 3.708 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600122 988616828 /nfs/dbraw/zinc/61/68/28/988616828.db2.gz LJLZSHXOFMMFOW-PMACEKPBSA-N 2 2 405.464 3.699 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470600122 988616833 /nfs/dbraw/zinc/61/68/33/988616833.db2.gz LJLZSHXOFMMFOW-PMACEKPBSA-N 2 2 405.464 3.699 20 0 HHADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470721326 988747236 /nfs/dbraw/zinc/74/72/36/988747236.db2.gz CAUPLPUDBIXTCQ-OAQYLSRUSA-N 2 2 421.520 3.817 20 0 HHADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470721326 988747241 /nfs/dbraw/zinc/74/72/41/988747241.db2.gz CAUPLPUDBIXTCQ-OAQYLSRUSA-N 2 2 421.520 3.817 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805230 989035091 /nfs/dbraw/zinc/03/50/91/989035091.db2.gz LTZSAOWVZKETMF-UHFFFAOYSA-N 2 2 418.488 3.860 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805230 989035103 /nfs/dbraw/zinc/03/51/03/989035103.db2.gz LTZSAOWVZKETMF-UHFFFAOYSA-N 2 2 418.488 3.860 20 0 HHADLP CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805697 989035996 /nfs/dbraw/zinc/03/59/96/989035996.db2.gz BETXTKFFDGULAL-UHFFFAOYSA-N 2 2 410.562 3.713 20 0 HHADLP CC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805697 989036007 /nfs/dbraw/zinc/03/60/07/989036007.db2.gz BETXTKFFDGULAL-UHFFFAOYSA-N 2 2 410.562 3.713 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807653 989040093 /nfs/dbraw/zinc/04/00/93/989040093.db2.gz IAYTZRCBLCVSPW-HSZRJFAPSA-N 2 2 406.574 3.814 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807653 989040107 /nfs/dbraw/zinc/04/01/07/989040107.db2.gz IAYTZRCBLCVSPW-HSZRJFAPSA-N 2 2 406.574 3.814 20 0 HHADLP CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809197 989042865 /nfs/dbraw/zinc/04/28/65/989042865.db2.gz ZDEBFUXLNDMMIU-UHFFFAOYSA-N 2 2 407.518 3.879 20 0 HHADLP CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809197 989042878 /nfs/dbraw/zinc/04/28/78/989042878.db2.gz ZDEBFUXLNDMMIU-UHFFFAOYSA-N 2 2 407.518 3.879 20 0 HHADLP C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843303 989092113 /nfs/dbraw/zinc/09/21/13/989092113.db2.gz SIXRCYRFPQBEHO-NRFANRHFSA-N 2 2 416.569 3.507 20 0 HHADLP C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843303 989092127 /nfs/dbraw/zinc/09/21/27/989092127.db2.gz SIXRCYRFPQBEHO-NRFANRHFSA-N 2 2 416.569 3.507 20 0 HHADLP C[NH+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843303 989092133 /nfs/dbraw/zinc/09/21/33/989092133.db2.gz SIXRCYRFPQBEHO-NRFANRHFSA-N 2 2 416.569 3.507 20 0 HHADLP C[NH+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843303 989092143 /nfs/dbraw/zinc/09/21/43/989092143.db2.gz SIXRCYRFPQBEHO-NRFANRHFSA-N 2 2 416.569 3.507 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845684 989096004 /nfs/dbraw/zinc/09/60/04/989096004.db2.gz OOKNLQSVQPHJQT-QUCCMNQESA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845684 989096018 /nfs/dbraw/zinc/09/60/18/989096018.db2.gz OOKNLQSVQPHJQT-QUCCMNQESA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845684 989096028 /nfs/dbraw/zinc/09/60/28/989096028.db2.gz OOKNLQSVQPHJQT-QUCCMNQESA-N 2 2 415.528 3.938 20 0 HHADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845684 989096044 /nfs/dbraw/zinc/09/60/44/989096044.db2.gz OOKNLQSVQPHJQT-QUCCMNQESA-N 2 2 415.528 3.938 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151450 989266287 /nfs/dbraw/zinc/26/62/87/989266287.db2.gz MZABKZQFLULROY-IRLDBZIGSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000471151450 989266297 /nfs/dbraw/zinc/26/62/97/989266297.db2.gz MZABKZQFLULROY-IRLDBZIGSA-N 2 2 422.573 3.518 20 0 HHADLP COC(=O)c1cc2cc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)ccc2o1 ZINC000471182984 989314100 /nfs/dbraw/zinc/31/41/00/989314100.db2.gz VQBXRIHROYLMTA-UHFFFAOYSA-N 2 2 407.514 3.753 20 0 HHADLP COC(=O)c1cc2cc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)ccc2o1 ZINC000471182984 989314109 /nfs/dbraw/zinc/31/41/09/989314109.db2.gz VQBXRIHROYLMTA-UHFFFAOYSA-N 2 2 407.514 3.753 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[NH+]3CCC[C@@H](C)C3)cs1)CC2 ZINC000465064255 989388157 /nfs/dbraw/zinc/38/81/57/989388157.db2.gz DJYHWVKQZKMNOE-QRQLOZEOSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[NH+]3CCC[C@@H](C)C3)cs1)CC2 ZINC000465064255 989388166 /nfs/dbraw/zinc/38/81/66/989388166.db2.gz DJYHWVKQZKMNOE-QRQLOZEOSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[N@@H+]3CCC[C@@H](C)C3)cs1)CC2 ZINC000465064255 989388177 /nfs/dbraw/zinc/38/81/77/989388177.db2.gz DJYHWVKQZKMNOE-QRQLOZEOSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[N@H+]3CCC[C@@H](C)C3)cs1)CC2 ZINC000465064255 989388189 /nfs/dbraw/zinc/38/81/89/989388189.db2.gz DJYHWVKQZKMNOE-QRQLOZEOSA-N 2 2 405.612 3.854 20 0 HHADLP COc1ccc([C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000465589103 989966332 /nfs/dbraw/zinc/96/63/32/989966332.db2.gz BWADRGICDHPVKO-JOCHJYFZSA-N 2 2 416.610 3.642 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000465609693 989992935 /nfs/dbraw/zinc/99/29/35/989992935.db2.gz WASMLGMYCVYNQL-KRWDZBQOSA-N 2 2 424.536 3.599 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000465634411 990020212 /nfs/dbraw/zinc/02/02/12/990020212.db2.gz RQCCFJFLIWYMDQ-UHFFFAOYSA-N 2 2 409.578 3.591 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472002462 990171149 /nfs/dbraw/zinc/17/11/49/990171149.db2.gz MKMBTILWIYLCHJ-DHIUTWEWSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472002462 990171155 /nfs/dbraw/zinc/17/11/55/990171155.db2.gz MKMBTILWIYLCHJ-DHIUTWEWSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472002464 990171290 /nfs/dbraw/zinc/17/12/90/990171290.db2.gz MKMBTILWIYLCHJ-PKTZIBPZSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472002464 990171295 /nfs/dbraw/zinc/17/12/95/990171295.db2.gz MKMBTILWIYLCHJ-PKTZIBPZSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+]2CCCC2)cc1 ZINC000465803244 990185623 /nfs/dbraw/zinc/18/56/23/990185623.db2.gz CBEQILWGAAZLDX-QHCPKHFHSA-N 2 2 421.589 3.804 20 0 HHADLP Cc1ccccc1[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000465921960 991054858 /nfs/dbraw/zinc/05/48/58/991054858.db2.gz LEWQDBBMGYZBRR-QFIPXVFZSA-N 2 2 400.611 3.942 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465956197 991096860 /nfs/dbraw/zinc/09/68/60/991096860.db2.gz ONNYJPNLTLCBSH-GOTSBHOMSA-N 2 2 412.622 3.647 20 0 HHADLP CC[C@@H](C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466137205 991318251 /nfs/dbraw/zinc/31/82/51/991318251.db2.gz ATEWJKUDIQEIOF-LJQANCHMSA-N 2 2 402.583 3.936 20 0 HHADLP CC[C@@H](C)N(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143323 991326003 /nfs/dbraw/zinc/32/60/03/991326003.db2.gz NAZMMQLGPPECFQ-OAQYLSRUSA-N 2 2 400.611 3.947 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)([NH+]2CCCCC2)CC1 ZINC000466146376 991329221 /nfs/dbraw/zinc/32/92/21/991329221.db2.gz OGSMCEMYRMAMTA-UHFFFAOYSA-N 2 2 416.585 3.698 20 0 HHADLP C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154086 991339126 /nfs/dbraw/zinc/33/91/26/991339126.db2.gz NPZSCMDOZAVZMX-CTNGQTDRSA-N 2 2 416.585 3.663 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2CCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466154677 991340926 /nfs/dbraw/zinc/34/09/26/991340926.db2.gz QJZUSWZYRFNXQB-QHCPKHFHSA-N 2 2 412.622 3.744 20 0 HHADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[C@H]1c1ccccc1 ZINC000466155391 991341753 /nfs/dbraw/zinc/34/17/53/991341753.db2.gz WZOGCTHJBMIIDK-JTHBVZDNSA-N 2 2 412.622 3.772 20 0 HHADLP CCN(Cc1ccccc1Cl)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466159686 991348836 /nfs/dbraw/zinc/34/88/36/991348836.db2.gz VMPODEQYIKDHFP-UHFFFAOYSA-N 2 2 407.002 3.822 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466881288 992202721 /nfs/dbraw/zinc/20/27/21/992202721.db2.gz QHENKBLWYRZCTJ-RBUKOAKNSA-N 2 2 403.571 3.661 20 0 HHADLP Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466881288 992202732 /nfs/dbraw/zinc/20/27/32/992202732.db2.gz QHENKBLWYRZCTJ-RBUKOAKNSA-N 2 2 403.571 3.661 20 0 HHADLP Fc1ccc(OCc2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)cc1 ZINC000466916691 992230931 /nfs/dbraw/zinc/23/09/31/992230931.db2.gz WCKMWDCDWSCJGR-UHFFFAOYSA-N 2 2 419.566 3.938 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000467127466 992444609 /nfs/dbraw/zinc/44/46/09/992444609.db2.gz HQSACPILRYSNLK-QHCPKHFHSA-N 2 2 400.526 3.763 20 0 HHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000467374796 992691746 /nfs/dbraw/zinc/69/17/46/992691746.db2.gz AURQTRCHXMNIQH-JTHBVZDNSA-N 2 2 409.574 3.917 20 0 HHADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000472125336 993177693 /nfs/dbraw/zinc/17/76/93/993177693.db2.gz BWKJCLGNMSUWNL-LJQANCHMSA-N 2 2 416.525 3.876 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263067 993287459 /nfs/dbraw/zinc/28/74/59/993287459.db2.gz MUKOESRSVZITEV-HOCLYGCPSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263067 993287466 /nfs/dbraw/zinc/28/74/66/993287466.db2.gz MUKOESRSVZITEV-HOCLYGCPSA-N 2 2 402.366 3.753 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000472366506 993364091 /nfs/dbraw/zinc/36/40/91/993364091.db2.gz RMKVGISVRSKAPV-GRLJGPAPSA-N 2 2 418.585 3.549 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000472366506 993364097 /nfs/dbraw/zinc/36/40/97/993364097.db2.gz RMKVGISVRSKAPV-GRLJGPAPSA-N 2 2 418.585 3.549 20 0 HHADLP O[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480805042 993676050 /nfs/dbraw/zinc/67/60/50/993676050.db2.gz PIEYTTRABRKCHZ-WIYYLYMNSA-N 2 2 406.448 3.581 20 0 HHADLP O[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000480805042 993676055 /nfs/dbraw/zinc/67/60/55/993676055.db2.gz PIEYTTRABRKCHZ-WIYYLYMNSA-N 2 2 406.448 3.581 20 0 HHADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000472759447 993698379 /nfs/dbraw/zinc/69/83/79/993698379.db2.gz ZXSJKWMVURZYRQ-UHFFFAOYSA-N 2 2 420.645 3.810 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907899 993764276 /nfs/dbraw/zinc/76/42/76/993764276.db2.gz KONQLLXWQXNYFL-XXBNENTESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907899 993764289 /nfs/dbraw/zinc/76/42/89/993764289.db2.gz KONQLLXWQXNYFL-XXBNENTESA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472943742 993872950 /nfs/dbraw/zinc/87/29/50/993872950.db2.gz XCNVLIGOIFGGAS-HXUWFJFHSA-N 2 2 409.578 3.782 20 0 HHADLP C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472943742 993872956 /nfs/dbraw/zinc/87/29/56/993872956.db2.gz XCNVLIGOIFGGAS-HXUWFJFHSA-N 2 2 409.578 3.782 20 0 HHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481184374 994015364 /nfs/dbraw/zinc/01/53/64/994015364.db2.gz AJMHVYRSPBYTFA-OAQYLSRUSA-N 2 2 400.494 3.540 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189778 994022132 /nfs/dbraw/zinc/02/21/32/994022132.db2.gz JLFUVTBQNYORIU-CRAIPNDOSA-N 2 2 412.534 3.874 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000481189778 994022140 /nfs/dbraw/zinc/02/21/40/994022140.db2.gz JLFUVTBQNYORIU-CRAIPNDOSA-N 2 2 412.534 3.874 20 0 HHADLP O=C(CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481191078 994023141 /nfs/dbraw/zinc/02/31/41/994023141.db2.gz NSWZPYMJFJIQHV-GOTSBHOMSA-N 2 2 406.574 3.511 20 0 HHADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000481207276 994040220 /nfs/dbraw/zinc/04/02/20/994040220.db2.gz JJQVOFNHSQCJSP-AWEZNQCLSA-N 2 2 407.331 3.586 20 0 HHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481209430 994043073 /nfs/dbraw/zinc/04/30/73/994043073.db2.gz UTOAMTXJPQJWFW-KRWDZBQOSA-N 2 2 404.938 3.910 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000481244376 994071897 /nfs/dbraw/zinc/07/18/97/994071897.db2.gz ASEJWGCXDOJIOO-KRWDZBQOSA-N 2 2 424.980 3.832 20 0 HHADLP O=C(CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481424205 994259075 /nfs/dbraw/zinc/25/90/75/994259075.db2.gz ITWJGSCHNWEHPV-FQEVSTJZSA-N 2 2 410.537 3.529 20 0 HHADLP O=C(CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000481424205 994259083 /nfs/dbraw/zinc/25/90/83/994259083.db2.gz ITWJGSCHNWEHPV-FQEVSTJZSA-N 2 2 410.537 3.529 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556760 994390203 /nfs/dbraw/zinc/39/02/03/994390203.db2.gz KCOZJSPKGXPZOK-MOPGFXCFSA-N 2 2 405.546 3.647 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556760 994390210 /nfs/dbraw/zinc/39/02/10/994390210.db2.gz KCOZJSPKGXPZOK-MOPGFXCFSA-N 2 2 405.546 3.647 20 0 HHADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000473738634 994638276 /nfs/dbraw/zinc/63/82/76/994638276.db2.gz FDHOSBBBKQBWLQ-KRWDZBQOSA-N 2 2 416.541 3.882 20 0 HHADLP Cc1nc(CC(C)C)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000473847514 994784655 /nfs/dbraw/zinc/78/46/55/994784655.db2.gz DROCWMICEYDDMX-UHFFFAOYSA-N 2 2 407.628 3.722 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000473935201 994908745 /nfs/dbraw/zinc/90/87/45/994908745.db2.gz AILBUORNKRBYCO-UHFFFAOYSA-N 2 2 410.965 3.572 20 0 HHADLP Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482014869 994922659 /nfs/dbraw/zinc/92/26/59/994922659.db2.gz KAHNQMCBBQWYOT-UHFFFAOYSA-N 2 2 403.530 3.963 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@@H+]2C2CC2)c1 ZINC000482016484 994925986 /nfs/dbraw/zinc/92/59/86/994925986.db2.gz IFEHIOMMADAFPS-GOTSBHOMSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC[N@H+]2C2CC2)c1 ZINC000482016484 994926001 /nfs/dbraw/zinc/92/60/01/994926001.db2.gz IFEHIOMMADAFPS-GOTSBHOMSA-N 2 2 402.498 3.589 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473951132 994928285 /nfs/dbraw/zinc/92/82/85/994928285.db2.gz RFUYSQPJKMNUIO-REWPJTCUSA-N 2 2 421.589 3.917 20 0 HHADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473951132 994928292 /nfs/dbraw/zinc/92/82/92/994928292.db2.gz RFUYSQPJKMNUIO-REWPJTCUSA-N 2 2 421.589 3.917 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050086 994974557 /nfs/dbraw/zinc/97/45/57/994974557.db2.gz QPGCZBQISMWCKS-RPWUZVMVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc2)c1 ZINC000482050086 994974565 /nfs/dbraw/zinc/97/45/65/994974565.db2.gz QPGCZBQISMWCKS-RPWUZVMVSA-N 2 2 409.574 3.511 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000482102771 995048919 /nfs/dbraw/zinc/04/89/19/995048919.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000482102771 995048925 /nfs/dbraw/zinc/04/89/25/995048925.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102771 995048931 /nfs/dbraw/zinc/04/89/31/995048931.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 2 2 419.569 3.754 20 0 HHADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000482102771 995048938 /nfs/dbraw/zinc/04/89/38/995048938.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 2 2 419.569 3.754 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C(=O)OC)ccc3Cl)cc2)CC1 ZINC000482154439 995108197 /nfs/dbraw/zinc/10/81/97/995108197.db2.gz SUZHESRQBSOVCP-UHFFFAOYSA-N 2 2 415.965 3.554 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)o1 ZINC000482230227 995213567 /nfs/dbraw/zinc/21/35/67/995213567.db2.gz XBOPDAZRKROARA-UHFFFAOYSA-N 2 2 400.519 3.712 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000482233677 995216679 /nfs/dbraw/zinc/21/66/79/995216679.db2.gz HJVWARUNUJPOQC-INIZCTEOSA-N 2 2 402.922 3.637 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000482233677 995216685 /nfs/dbraw/zinc/21/66/85/995216685.db2.gz HJVWARUNUJPOQC-INIZCTEOSA-N 2 2 402.922 3.637 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000474508557 995468921 /nfs/dbraw/zinc/46/89/21/995468921.db2.gz IAWIUTDMZNVHCB-ZYSLNFODSA-N 2 2 409.578 3.632 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000474508557 995468927 /nfs/dbraw/zinc/46/89/27/995468927.db2.gz IAWIUTDMZNVHCB-ZYSLNFODSA-N 2 2 409.578 3.632 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474539827 995506772 /nfs/dbraw/zinc/50/67/72/995506772.db2.gz GMBFAUNKISWBGX-PNGKTBNWSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474539827 995506784 /nfs/dbraw/zinc/50/67/84/995506784.db2.gz GMBFAUNKISWBGX-PNGKTBNWSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616688 995567901 /nfs/dbraw/zinc/56/79/01/995567901.db2.gz VGNVCGHVKRBRKZ-YESZJQIVSA-N 2 2 418.994 3.617 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474616686 995568018 /nfs/dbraw/zinc/56/80/18/995568018.db2.gz VGNVCGHVKRBRKZ-IXDOHACOSA-N 2 2 418.994 3.617 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482595769 995596896 /nfs/dbraw/zinc/59/68/96/995596896.db2.gz ZQBBOXCJLCEDMN-FGZHOGPDSA-N 2 2 407.562 3.580 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595769 995596903 /nfs/dbraw/zinc/59/69/03/995596903.db2.gz ZQBBOXCJLCEDMN-FGZHOGPDSA-N 2 2 407.562 3.580 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633472 995627280 /nfs/dbraw/zinc/62/72/80/995627280.db2.gz XKXFMMGBMXSGMM-AEFFLSMTSA-N 2 2 418.994 3.770 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000482633472 995627283 /nfs/dbraw/zinc/62/72/83/995627283.db2.gz XKXFMMGBMXSGMM-AEFFLSMTSA-N 2 2 418.994 3.770 20 0 HHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474895029 995784885 /nfs/dbraw/zinc/78/48/85/995784885.db2.gz FLMWSHJFKATDDI-IBGZPJMESA-N 2 2 412.578 3.675 20 0 HHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474895029 995784892 /nfs/dbraw/zinc/78/48/92/995784892.db2.gz FLMWSHJFKATDDI-IBGZPJMESA-N 2 2 412.578 3.675 20 0 HHADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482864916 995801546 /nfs/dbraw/zinc/80/15/46/995801546.db2.gz IMVHAXSQHCKCPP-QGZVFWFLSA-N 2 2 414.619 3.636 20 0 HHADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000474940610 995814134 /nfs/dbraw/zinc/81/41/34/995814134.db2.gz FJFNFHACBMIUKP-QGZVFWFLSA-N 2 2 407.327 3.835 20 0 HHADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000474940610 995814138 /nfs/dbraw/zinc/81/41/38/995814138.db2.gz FJFNFHACBMIUKP-QGZVFWFLSA-N 2 2 407.327 3.835 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000482985055 995902061 /nfs/dbraw/zinc/90/20/61/995902061.db2.gz BSEDGORNQVWXTL-OAQYLSRUSA-N 2 2 409.578 3.935 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475130630 995941840 /nfs/dbraw/zinc/94/18/40/995941840.db2.gz WSOYKFFYHWYQLV-XMMPIXPASA-N 2 2 407.562 3.581 20 0 HHADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475130630 995941843 /nfs/dbraw/zinc/94/18/43/995941843.db2.gz WSOYKFFYHWYQLV-XMMPIXPASA-N 2 2 407.562 3.581 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000483362027 996126292 /nfs/dbraw/zinc/12/62/92/996126292.db2.gz WZUKVXNBFDUDBQ-IBGZPJMESA-N 2 2 400.567 3.562 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)CC1 ZINC000475455145 996151100 /nfs/dbraw/zinc/15/11/00/996151100.db2.gz XAPJENMKNIGFFD-UHFFFAOYSA-N 2 2 418.541 3.783 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CCC2 ZINC000483438443 996179076 /nfs/dbraw/zinc/17/90/76/996179076.db2.gz NCBXTIAJJRODBK-UYAOXDASSA-N 2 2 416.591 3.594 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639074 996301822 /nfs/dbraw/zinc/30/18/22/996301822.db2.gz OAUSQKSRQZILDM-HXUWFJFHSA-N 2 2 400.611 3.554 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1(c2ccccc2)CCCC1 ZINC000483639074 996301826 /nfs/dbraw/zinc/30/18/26/996301826.db2.gz OAUSQKSRQZILDM-HXUWFJFHSA-N 2 2 400.611 3.554 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739867 996338840 /nfs/dbraw/zinc/33/88/40/996338840.db2.gz XYQJWWSOJSWDKX-RSXGOPAZSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739867 996338844 /nfs/dbraw/zinc/33/88/44/996338844.db2.gz XYQJWWSOJSWDKX-RSXGOPAZSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475739867 996338857 /nfs/dbraw/zinc/33/88/57/996338857.db2.gz XYQJWWSOJSWDKX-RSXGOPAZSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475739867 996338862 /nfs/dbraw/zinc/33/88/62/996338862.db2.gz XYQJWWSOJSWDKX-RSXGOPAZSA-N 2 2 422.569 3.617 20 0 HHADLP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706663 996340182 /nfs/dbraw/zinc/34/01/82/996340182.db2.gz DDZNTRQKUJGBFG-MSOLQXFVSA-N 2 2 404.576 3.660 20 0 HHADLP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1S(C)(=O)=O ZINC000483706663 996340185 /nfs/dbraw/zinc/34/01/85/996340185.db2.gz DDZNTRQKUJGBFG-MSOLQXFVSA-N 2 2 404.576 3.660 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000483709596 996342274 /nfs/dbraw/zinc/34/22/74/996342274.db2.gz FOKLHYSYCOHZBC-IBGZPJMESA-N 2 2 424.570 3.914 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000483709596 996342279 /nfs/dbraw/zinc/34/22/79/996342279.db2.gz FOKLHYSYCOHZBC-IBGZPJMESA-N 2 2 424.570 3.914 20 0 HHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000483715078 996345231 /nfs/dbraw/zinc/34/52/31/996345231.db2.gz PVTUJIJVVSRUNL-OAQYLSRUSA-N 2 2 423.601 3.809 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863216 996434407 /nfs/dbraw/zinc/43/44/07/996434407.db2.gz BNGLLBRQYDMHIU-RZUBCFFCSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863216 996434412 /nfs/dbraw/zinc/43/44/12/996434412.db2.gz BNGLLBRQYDMHIU-RZUBCFFCSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863216 996434414 /nfs/dbraw/zinc/43/44/14/996434414.db2.gz BNGLLBRQYDMHIU-RZUBCFFCSA-N 2 2 416.610 3.928 20 0 HHADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483863216 996434416 /nfs/dbraw/zinc/43/44/16/996434416.db2.gz BNGLLBRQYDMHIU-RZUBCFFCSA-N 2 2 416.610 3.928 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(COC4CCCC4)cc3)CC2)CC1 ZINC000483943393 996481389 /nfs/dbraw/zinc/48/13/89/996481389.db2.gz PWCNZBPMDDXVQK-UHFFFAOYSA-N 2 2 414.594 3.826 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CCOCC1)c1ccccc1 ZINC000484125667 996584246 /nfs/dbraw/zinc/58/42/46/996584246.db2.gz HJQSFTOJJOJVGI-VQTJNVASSA-N 2 2 405.546 3.818 20 0 HHADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1 ZINC000484128148 996585697 /nfs/dbraw/zinc/58/56/97/996585697.db2.gz IBJGPWBWYLKRCB-OALUTQOASA-N 2 2 415.603 3.909 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1OC(F)F ZINC000484141941 996595770 /nfs/dbraw/zinc/59/57/70/996595770.db2.gz RPUMAINVJIQSLK-VDGAXYAQSA-N 2 2 420.500 3.830 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1OC(F)F ZINC000484141941 996595777 /nfs/dbraw/zinc/59/57/77/996595777.db2.gz RPUMAINVJIQSLK-VDGAXYAQSA-N 2 2 420.500 3.830 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1SC ZINC000484157228 996605599 /nfs/dbraw/zinc/60/55/99/996605599.db2.gz HDTTZKILKMEEEJ-IOMROCGXSA-N 2 2 400.588 3.951 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1SC ZINC000484157228 996605602 /nfs/dbraw/zinc/60/56/02/996605602.db2.gz HDTTZKILKMEEEJ-IOMROCGXSA-N 2 2 400.588 3.951 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160360 996608536 /nfs/dbraw/zinc/60/85/36/996608536.db2.gz KRQHOXZXPOAKOO-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000484160360 996608539 /nfs/dbraw/zinc/60/85/39/996608539.db2.gz KRQHOXZXPOAKOO-FOIQADDNSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162276 996609489 /nfs/dbraw/zinc/60/94/89/996609489.db2.gz KBMKLGCPTROYJG-VPWXQRGCSA-N 2 2 408.464 3.961 20 0 HHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1OC(F)F ZINC000484162276 996609492 /nfs/dbraw/zinc/60/94/92/996609492.db2.gz KBMKLGCPTROYJG-VPWXQRGCSA-N 2 2 408.464 3.961 20 0 HHADLP Cc1onc(-c2ccccc2C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000476119734 996612077 /nfs/dbraw/zinc/61/20/77/996612077.db2.gz JDBHQDVNVNVMKY-UHFFFAOYSA-N 2 2 410.562 3.639 20 0 HHADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000484389514 996743928 /nfs/dbraw/zinc/74/39/28/996743928.db2.gz XUDKRGDMBHRXOG-RUZDIDTESA-N 2 2 420.601 3.976 20 0 HHADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)c2C1 ZINC000484389514 996743933 /nfs/dbraw/zinc/74/39/33/996743933.db2.gz XUDKRGDMBHRXOG-RUZDIDTESA-N 2 2 420.601 3.976 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nnn1-c1ccc(F)cc1 ZINC000484467124 996786602 /nfs/dbraw/zinc/78/66/02/996786602.db2.gz MSERAEKNDSCPTG-KRWDZBQOSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000484499184 996825751 /nfs/dbraw/zinc/82/57/51/996825751.db2.gz LQJLXVONHLDOBI-AGILITTLSA-N 2 2 409.574 3.948 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000484499184 996825764 /nfs/dbraw/zinc/82/57/64/996825764.db2.gz LQJLXVONHLDOBI-AGILITTLSA-N 2 2 409.574 3.948 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000476500087 996986350 /nfs/dbraw/zinc/98/63/50/996986350.db2.gz MYLCXEXVFMIDGB-UHFFFAOYSA-N 2 2 404.505 3.782 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000476813692 997369215 /nfs/dbraw/zinc/36/92/15/997369215.db2.gz BBDKRLFEKGGUPA-VQTJNVASSA-N 2 2 415.622 3.610 20 0 HHADLP COc1cc(Cl)c(Cl)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000485018158 997383210 /nfs/dbraw/zinc/38/32/10/997383210.db2.gz CUWBJGSZYBYKMU-UHFFFAOYSA-N 2 2 415.365 3.682 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485121325 997504624 /nfs/dbraw/zinc/50/46/24/997504624.db2.gz ISTHNVLXBXGGOP-UHFFFAOYSA-N 2 2 406.349 3.999 20 0 HHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485121325 997504634 /nfs/dbraw/zinc/50/46/34/997504634.db2.gz ISTHNVLXBXGGOP-UHFFFAOYSA-N 2 2 406.349 3.999 20 0 HHADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050185 997690081 /nfs/dbraw/zinc/69/00/81/997690081.db2.gz QRMKUTNRLVNFIR-IFMALSPDSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050185 997690088 /nfs/dbraw/zinc/69/00/88/997690088.db2.gz QRMKUTNRLVNFIR-IFMALSPDSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050185 997690092 /nfs/dbraw/zinc/69/00/92/997690092.db2.gz QRMKUTNRLVNFIR-IFMALSPDSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050185 997690099 /nfs/dbraw/zinc/69/00/99/997690099.db2.gz QRMKUTNRLVNFIR-IFMALSPDSA-N 2 2 423.523 3.775 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000485311085 997720831 /nfs/dbraw/zinc/72/08/31/997720831.db2.gz WSZQPDRNZZVFQU-UXPWSPDFSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000485311085 997720840 /nfs/dbraw/zinc/72/08/40/997720840.db2.gz WSZQPDRNZZVFQU-UXPWSPDFSA-N 2 2 422.976 3.742 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485323403 997734542 /nfs/dbraw/zinc/73/45/42/997734542.db2.gz OSIBDYRJVSILDO-HBFSDRIKSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485323403 997734546 /nfs/dbraw/zinc/73/45/46/997734546.db2.gz OSIBDYRJVSILDO-HBFSDRIKSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485323403 997734549 /nfs/dbraw/zinc/73/45/49/997734549.db2.gz OSIBDYRJVSILDO-HBFSDRIKSA-N 2 2 413.562 3.861 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485323403 997734553 /nfs/dbraw/zinc/73/45/53/997734553.db2.gz OSIBDYRJVSILDO-HBFSDRIKSA-N 2 2 413.562 3.861 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@@H]21 ZINC000485337547 997754755 /nfs/dbraw/zinc/75/47/55/997754755.db2.gz OGWVIUYGDMUJRF-NHCICSSKSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@@H]21 ZINC000485337547 997754760 /nfs/dbraw/zinc/75/47/60/997754760.db2.gz OGWVIUYGDMUJRF-NHCICSSKSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@@H]21 ZINC000485337547 997754765 /nfs/dbraw/zinc/75/47/65/997754765.db2.gz OGWVIUYGDMUJRF-NHCICSSKSA-N 2 2 409.599 3.638 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC[C@@H]21 ZINC000485337547 997754766 /nfs/dbraw/zinc/75/47/66/997754766.db2.gz OGWVIUYGDMUJRF-NHCICSSKSA-N 2 2 409.599 3.638 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338232 997755931 /nfs/dbraw/zinc/75/59/31/997755931.db2.gz NMVDVQFYULGHFR-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338232 997755941 /nfs/dbraw/zinc/75/59/41/997755941.db2.gz NMVDVQFYULGHFR-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338232 997755951 /nfs/dbraw/zinc/75/59/51/997755951.db2.gz NMVDVQFYULGHFR-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@H]21 ZINC000485338232 997755964 /nfs/dbraw/zinc/75/59/64/997755964.db2.gz NMVDVQFYULGHFR-BKULYWANSA-N 2 2 411.977 3.962 20 0 HHADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000477290274 997974734 /nfs/dbraw/zinc/97/47/34/997974734.db2.gz NYASDXUKJORNKD-PMACEKPBSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000477290274 997974744 /nfs/dbraw/zinc/97/47/44/997974744.db2.gz NYASDXUKJORNKD-PMACEKPBSA-N 2 2 422.976 3.713 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000477322191 998010232 /nfs/dbraw/zinc/01/02/32/998010232.db2.gz VPQPIIBMKFLFFB-FRIKZZABSA-N 2 2 407.562 3.769 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000477322191 998010246 /nfs/dbraw/zinc/01/02/46/998010246.db2.gz VPQPIIBMKFLFFB-FRIKZZABSA-N 2 2 407.562 3.769 20 0 HHADLP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000485669050 998125056 /nfs/dbraw/zinc/12/50/56/998125056.db2.gz NZCCCBHYVSASMQ-UHFFFAOYSA-N 2 2 410.002 3.572 20 0 HHADLP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000485669050 998125064 /nfs/dbraw/zinc/12/50/64/998125064.db2.gz NZCCCBHYVSASMQ-UHFFFAOYSA-N 2 2 410.002 3.572 20 0 HHADLP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000485821270 998287818 /nfs/dbraw/zinc/28/78/18/998287818.db2.gz UZGHZOLYWDZSDZ-NZQKXSOJSA-N 2 2 420.561 3.992 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000486107976 998555549 /nfs/dbraw/zinc/55/55/49/998555549.db2.gz GISOXYGSSHKKAU-WAOWUJCRSA-N 2 2 415.607 3.529 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000486107976 998555559 /nfs/dbraw/zinc/55/55/59/998555559.db2.gz GISOXYGSSHKKAU-WAOWUJCRSA-N 2 2 415.607 3.529 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+](C)C ZINC000478185228 998809976 /nfs/dbraw/zinc/80/99/76/998809976.db2.gz WJMHWTRVFGIGAO-HYBUGGRVSA-N 2 2 419.573 3.773 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+](C)C ZINC000478204883 998821350 /nfs/dbraw/zinc/82/13/50/998821350.db2.gz ZNHFESSIUVVNGV-XXBNENTESA-N 2 2 409.578 3.871 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000487125842 999072308 /nfs/dbraw/zinc/07/23/08/999072308.db2.gz JNBVJIFSQDJZHK-TZIWHRDSSA-N 2 2 417.504 3.685 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000487125842 999072376 /nfs/dbraw/zinc/07/23/76/999072376.db2.gz JNBVJIFSQDJZHK-TZIWHRDSSA-N 2 2 417.504 3.685 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057310 999272054 /nfs/dbraw/zinc/27/20/54/999272054.db2.gz HWDDLTIRWZVVJS-FTBPSBKWSA-N 2 2 416.569 3.722 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057310 999272057 /nfs/dbraw/zinc/27/20/57/999272057.db2.gz HWDDLTIRWZVVJS-FTBPSBKWSA-N 2 2 416.569 3.722 20 0 HHADLP C[NH+](C)CCCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000487953575 999327428 /nfs/dbraw/zinc/32/74/28/999327428.db2.gz XAUTVBYFLGXEBP-UHFFFAOYSA-N 2 2 402.502 3.758 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[NH+]2CCSCC2)n1 ZINC000488179386 999404056 /nfs/dbraw/zinc/40/40/56/999404056.db2.gz KKPWDLKHSLANCK-UHFFFAOYSA-N 2 2 413.616 3.881 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488616747 999546965 /nfs/dbraw/zinc/54/69/65/999546965.db2.gz WEQUMGCCEJEHNP-NHCUHLMSSA-N 2 2 419.520 3.725 20 0 HHADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000488616747 999546969 /nfs/dbraw/zinc/54/69/69/999546969.db2.gz WEQUMGCCEJEHNP-NHCUHLMSSA-N 2 2 419.520 3.725 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770489 999582641 /nfs/dbraw/zinc/58/26/41/999582641.db2.gz FAEZWAJUJRSYBX-YADHBBJMSA-N 2 2 420.548 3.806 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000479770489 999582643 /nfs/dbraw/zinc/58/26/43/999582643.db2.gz FAEZWAJUJRSYBX-YADHBBJMSA-N 2 2 420.548 3.806 20 0 HHADLP CC(C)n1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1-c1ccccc1 ZINC000488757867 999598718 /nfs/dbraw/zinc/59/87/18/999598718.db2.gz IURXHCQVSDGEAU-UHFFFAOYSA-N 2 2 423.605 3.811 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127508 999707202 /nfs/dbraw/zinc/70/72/02/999707202.db2.gz KWOSIOYHNADJGN-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000489127508 999707205 /nfs/dbraw/zinc/70/72/05/999707205.db2.gz KWOSIOYHNADJGN-ZEQRLZLVSA-N 2 2 408.590 3.952 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489132153 999708477 /nfs/dbraw/zinc/70/84/77/999708477.db2.gz ULBKJWJJSFYOIC-XZOQPEGZSA-N 2 2 411.590 3.615 20 0 HHADLP CN(C(=O)c1ccc2c(c1)CCCC2=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489132153 999708478 /nfs/dbraw/zinc/70/84/78/999708478.db2.gz ULBKJWJJSFYOIC-XZOQPEGZSA-N 2 2 411.590 3.615 20 0 HHADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000480087923 999713785 /nfs/dbraw/zinc/71/37/85/999713785.db2.gz QARDADGNHCODRM-OPXMRZJTSA-N 2 2 408.590 3.727 20 0 HHADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000480087923 999713786 /nfs/dbraw/zinc/71/37/86/999713786.db2.gz QARDADGNHCODRM-OPXMRZJTSA-N 2 2 408.590 3.727 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000489255203 999731270 /nfs/dbraw/zinc/73/12/70/999731270.db2.gz LOCXQUNPDXAHQV-OAQYLSRUSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000489255203 999731272 /nfs/dbraw/zinc/73/12/72/999731272.db2.gz LOCXQUNPDXAHQV-OAQYLSRUSA-N 2 2 408.590 3.676 20 0 HHADLP c1cc(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260068 999732162 /nfs/dbraw/zinc/73/21/62/999732162.db2.gz VYACXFBCGKKLGW-UIOOFZCWSA-N 4 2 410.650 3.522 20 0 HHADLP c1cc(C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000489260068 999732163 /nfs/dbraw/zinc/73/21/63/999732163.db2.gz VYACXFBCGKKLGW-UIOOFZCWSA-N 4 2 410.650 3.522 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000489394911 999757915 /nfs/dbraw/zinc/75/79/15/999757915.db2.gz RTVRUXVZDOKQES-HXUWFJFHSA-N 2 2 414.500 3.704 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000489394911 999757917 /nfs/dbraw/zinc/75/79/17/999757917.db2.gz RTVRUXVZDOKQES-HXUWFJFHSA-N 2 2 414.500 3.704 20 0 HHADLP CCC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000489688674 999818133 /nfs/dbraw/zinc/81/81/33/999818133.db2.gz POOVCULZFQVGLO-UHFFFAOYSA-N 2 2 403.530 3.690 20 0 HHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480601965 999837925 /nfs/dbraw/zinc/83/79/25/999837925.db2.gz OULRXZVIWFQIJP-MRXNPFEDSA-N 2 2 401.938 3.587 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(OC(F)F)c1 ZINC000480603747 999838441 /nfs/dbraw/zinc/83/84/41/999838441.db2.gz AVXIDXABZWXCMY-INIZCTEOSA-N 2 2 403.473 3.526 20 0 HHADLP Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(-c2ccccc2)s1 ZINC000489793693 999839481 /nfs/dbraw/zinc/83/94/81/999839481.db2.gz DLMRBHSBAIREDW-UHFFFAOYSA-N 2 2 412.603 3.799 20 0 HHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480639250 999848320 /nfs/dbraw/zinc/84/83/20/999848320.db2.gz AHCIDSKYIOIDOH-PXDATVDWSA-N 2 2 404.558 3.526 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000490067489 999888279 /nfs/dbraw/zinc/88/82/79/999888279.db2.gz OESYRKNCEABHHF-QHCPKHFHSA-N 2 2 424.614 3.750 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000490067489 999888281 /nfs/dbraw/zinc/88/82/81/999888281.db2.gz OESYRKNCEABHHF-QHCPKHFHSA-N 2 2 424.614 3.750 20 0 HHADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396404 999950748 /nfs/dbraw/zinc/95/07/48/999950748.db2.gz GDROVSJNKPGUPG-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)C2)cc1 ZINC000490396404 999950750 /nfs/dbraw/zinc/95/07/50/999950750.db2.gz GDROVSJNKPGUPG-QFIPXVFZSA-N 2 2 404.514 3.906 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1OC ZINC000491024196 1000035209 /nfs/dbraw/zinc/03/52/09/1000035209.db2.gz SGZUJKUQZQQNOW-GAJHUEQPSA-N 2 2 417.981 3.672 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051893 1000039582 /nfs/dbraw/zinc/03/95/82/1000039582.db2.gz KLICFDRDZVNVLJ-WIYYLYMNSA-N 2 2 403.929 3.746 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000491051893 1000039584 /nfs/dbraw/zinc/03/95/84/1000039584.db2.gz KLICFDRDZVNVLJ-WIYYLYMNSA-N 2 2 403.929 3.746 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491961223 1000102460 /nfs/dbraw/zinc/10/24/60/1000102460.db2.gz SAAHKJSUIUMLNH-UHFFFAOYSA-N 2 2 404.518 3.634 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492350991 1000122640 /nfs/dbraw/zinc/12/26/40/1000122640.db2.gz LAMVSOKNYUFPIC-NRFANRHFSA-N 2 2 404.518 3.503 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492350991 1000122642 /nfs/dbraw/zinc/12/26/42/1000122642.db2.gz LAMVSOKNYUFPIC-NRFANRHFSA-N 2 2 404.518 3.503 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)c2)cc[nH+]1 ZINC000494049623 1000283756 /nfs/dbraw/zinc/28/37/56/1000283756.db2.gz OBZXTSIDTIDYJH-JPYJTQIMSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)c2)cc[nH+]1 ZINC000494049623 1000283765 /nfs/dbraw/zinc/28/37/65/1000283765.db2.gz OBZXTSIDTIDYJH-JPYJTQIMSA-N 2 2 415.541 3.790 20 0 HHADLP CCCOc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000494425971 1000486243 /nfs/dbraw/zinc/48/62/43/1000486243.db2.gz NZFAOKRGIOCXSQ-OAHLLOKOSA-N 2 2 408.340 3.938 20 0 HHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)c2C1 ZINC000494443769 1000495111 /nfs/dbraw/zinc/49/51/11/1000495111.db2.gz WZHZYDRSQQNNPV-DEOSSOPVSA-N 2 2 407.558 3.795 20 0 HHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)c2C1 ZINC000494443769 1000495116 /nfs/dbraw/zinc/49/51/16/1000495116.db2.gz WZHZYDRSQQNNPV-DEOSSOPVSA-N 2 2 407.558 3.795 20 0 HHADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145869 1000576451 /nfs/dbraw/zinc/57/64/51/1000576451.db2.gz OTDPIQCCICYTPC-NHCUHLMSSA-N 2 2 424.564 3.977 20 0 HHADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145869 1000576458 /nfs/dbraw/zinc/57/64/58/1000576458.db2.gz OTDPIQCCICYTPC-NHCUHLMSSA-N 2 2 424.564 3.977 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000505493815 1000820285 /nfs/dbraw/zinc/82/02/85/1000820285.db2.gz JVWQOLWRWRRIGY-FQEVSTJZSA-N 2 2 407.558 3.810 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000505527087 1000873157 /nfs/dbraw/zinc/87/31/57/1000873157.db2.gz RMTLMDRUECDBKB-YKSBVNFPSA-N 2 2 407.558 3.565 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000505527087 1000873159 /nfs/dbraw/zinc/87/31/59/1000873159.db2.gz RMTLMDRUECDBKB-YKSBVNFPSA-N 2 2 407.558 3.565 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)cc[nH+]1 ZINC000505590711 1000924014 /nfs/dbraw/zinc/92/40/14/1000924014.db2.gz JIZCGLCYHDEIQK-SBUREZEXSA-N 2 2 403.530 3.818 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415445 1001004203 /nfs/dbraw/zinc/00/42/03/1001004203.db2.gz QCWCHRVUVLQLCJ-UZLBHIALSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000495415445 1001004209 /nfs/dbraw/zinc/00/42/09/1001004209.db2.gz QCWCHRVUVLQLCJ-UZLBHIALSA-N 2 2 403.368 3.756 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774179 1001074811 /nfs/dbraw/zinc/07/48/11/1001074811.db2.gz HSXYEXBWERLPBI-ZLGUVYLKSA-N 2 2 407.549 3.864 20 0 HHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000495774179 1001074818 /nfs/dbraw/zinc/07/48/18/1001074818.db2.gz HSXYEXBWERLPBI-ZLGUVYLKSA-N 2 2 407.549 3.864 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821458 1001233149 /nfs/dbraw/zinc/23/31/49/1001233149.db2.gz GMQSIPFWZZIAKX-QZTJIDSGSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000496821458 1001233153 /nfs/dbraw/zinc/23/31/53/1001233153.db2.gz GMQSIPFWZZIAKX-QZTJIDSGSA-N 2 2 405.612 3.604 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC000506472702 1001428380 /nfs/dbraw/zinc/42/83/80/1001428380.db2.gz GPDFSVYTIRTLPS-SVFBPWRDSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1F ZINC000506472702 1001428382 /nfs/dbraw/zinc/42/83/82/1001428382.db2.gz GPDFSVYTIRTLPS-SVFBPWRDSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1F ZINC000506472702 1001428386 /nfs/dbraw/zinc/42/83/86/1001428386.db2.gz GPDFSVYTIRTLPS-SVFBPWRDSA-N 2 2 419.585 3.768 20 0 HHADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1F ZINC000506472702 1001428391 /nfs/dbraw/zinc/42/83/91/1001428391.db2.gz GPDFSVYTIRTLPS-SVFBPWRDSA-N 2 2 419.585 3.768 20 0 HHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507005587 1001760291 /nfs/dbraw/zinc/76/02/91/1001760291.db2.gz BBQOJNRMFGHBTK-UHFFFAOYSA-N 2 2 420.513 3.819 20 0 HHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507005587 1001760301 /nfs/dbraw/zinc/76/03/01/1001760301.db2.gz BBQOJNRMFGHBTK-UHFFFAOYSA-N 2 2 420.513 3.819 20 0 HHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507007135 1001761248 /nfs/dbraw/zinc/76/12/48/1001761248.db2.gz MDINQKAGIJIJHX-UHFFFAOYSA-N 2 2 420.513 3.705 20 0 HHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507007135 1001761254 /nfs/dbraw/zinc/76/12/54/1001761254.db2.gz MDINQKAGIJIJHX-UHFFFAOYSA-N 2 2 420.513 3.705 20 0 HHADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507106916 1001813947 /nfs/dbraw/zinc/81/39/47/1001813947.db2.gz XVRSIUWVLJVFIP-GGAORHGYSA-N 2 2 421.589 3.946 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507136719 1001829554 /nfs/dbraw/zinc/82/95/54/1001829554.db2.gz SSSQHWOKSPKTKS-UHFFFAOYSA-N 2 2 402.542 3.712 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507136719 1001829565 /nfs/dbraw/zinc/82/95/65/1001829565.db2.gz SSSQHWOKSPKTKS-UHFFFAOYSA-N 2 2 402.542 3.712 20 0 HHADLP C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303952 1001985528 /nfs/dbraw/zinc/98/55/28/1001985528.db2.gz KGLCLOHFRGWBQX-PWHSHALESA-N 2 2 401.599 3.619 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507529989 1002138646 /nfs/dbraw/zinc/13/86/46/1002138646.db2.gz PJNOQWSREPFDNY-SGKWCMOWSA-N 2 2 412.599 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507529989 1002138651 /nfs/dbraw/zinc/13/86/51/1002138651.db2.gz PJNOQWSREPFDNY-SGKWCMOWSA-N 2 2 412.599 3.739 20 0 HHADLP Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498775201 1002160112 /nfs/dbraw/zinc/16/01/12/1002160112.db2.gz NUOJTBSGFXASEQ-UHFFFAOYSA-N 2 2 414.619 3.833 20 0 HHADLP Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498775201 1002160116 /nfs/dbraw/zinc/16/01/16/1002160116.db2.gz NUOJTBSGFXASEQ-UHFFFAOYSA-N 2 2 414.619 3.833 20 0 HHADLP Cn1ccnc1[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1Cl ZINC000507897830 1002431308 /nfs/dbraw/zinc/43/13/08/1002431308.db2.gz JMKWJIFSVXGHMV-UWJYYQICSA-N 2 2 410.953 3.810 20 0 HHADLP O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000499189145 1002579149 /nfs/dbraw/zinc/57/91/49/1002579149.db2.gz IBZAFHYZEXXTIK-BJWYYQGGSA-N 2 2 403.448 3.828 20 0 HHADLP O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000499189145 1002579158 /nfs/dbraw/zinc/57/91/58/1002579158.db2.gz IBZAFHYZEXXTIK-BJWYYQGGSA-N 2 2 403.448 3.828 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690915 1003128846 /nfs/dbraw/zinc/12/88/46/1003128846.db2.gz LFJKHJXLRJMXJH-KSEOMHKRSA-N 2 2 400.588 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690915 1003128850 /nfs/dbraw/zinc/12/88/50/1003128850.db2.gz LFJKHJXLRJMXJH-KSEOMHKRSA-N 2 2 400.588 3.739 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000508691688 1003129893 /nfs/dbraw/zinc/12/98/93/1003129893.db2.gz OSECJKHZHDUGSR-AWEZNQCLSA-N 2 2 408.340 3.655 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000508691688 1003129886 /nfs/dbraw/zinc/12/98/86/1003129886.db2.gz OSECJKHZHDUGSR-AWEZNQCLSA-N 2 2 408.340 3.655 20 0 HHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC000508852028 1003272237 /nfs/dbraw/zinc/27/22/37/1003272237.db2.gz IQMYPSMDUXLNLS-RXVVDRJESA-N 2 2 400.592 3.575 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508877418 1003297602 /nfs/dbraw/zinc/29/76/02/1003297602.db2.gz YBFZTVSQXMIJBL-BBTUJRGHSA-N 2 2 400.592 3.828 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(C)c1 ZINC000500103817 1003465424 /nfs/dbraw/zinc/46/54/24/1003465424.db2.gz DVKWAIFGCDFQBM-DHIUTWEWSA-N 2 2 423.536 3.982 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000509008819 1003479668 /nfs/dbraw/zinc/47/96/68/1003479668.db2.gz RLGOQEXLUQFEOA-OAQYLSRUSA-N 2 2 406.574 3.676 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509020030 1003492153 /nfs/dbraw/zinc/49/21/53/1003492153.db2.gz BHIOQPYHARNIQS-ZCYQVOJMSA-N 3 2 406.618 3.699 20 0 HHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000509020030 1003492150 /nfs/dbraw/zinc/49/21/50/1003492150.db2.gz BHIOQPYHARNIQS-ZCYQVOJMSA-N 3 2 406.618 3.699 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372168 1003668650 /nfs/dbraw/zinc/66/86/50/1003668650.db2.gz UOYVZYYSJZMNAB-MOPGFXCFSA-N 2 2 410.389 3.772 20 0 HHADLP CC(C)[NH2+]C1CCN(c2nc(N3CCC([NH2+]C(C)C)CC3)c3ccccc3[nH+]2)CC1 ZINC000500472985 1003736162 /nfs/dbraw/zinc/73/61/62/1003736162.db2.gz YUARJLZSJAWREU-UHFFFAOYSA-N 3 2 410.610 3.563 20 0 HHADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000511904101 1003880844 /nfs/dbraw/zinc/88/08/44/1003880844.db2.gz DGCXRZGTSQYSGB-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000511904101 1003880859 /nfs/dbraw/zinc/88/08/59/1003880859.db2.gz DGCXRZGTSQYSGB-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512053228 1003984411 /nfs/dbraw/zinc/98/44/11/1003984411.db2.gz PKVLBAFBSYVRKQ-SFTDATJTSA-N 2 2 422.495 3.749 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733053 1004059333 /nfs/dbraw/zinc/05/93/33/1004059333.db2.gz YZJLABQQZBROBN-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000509733053 1004059344 /nfs/dbraw/zinc/05/93/44/1004059344.db2.gz YZJLABQQZBROBN-SIKLNZKXSA-N 2 2 407.562 3.534 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000510016878 1004267378 /nfs/dbraw/zinc/26/73/78/1004267378.db2.gz ZNDOIVVNYSGKQK-YADHBBJMSA-N 2 2 415.965 3.905 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512434790 1004300147 /nfs/dbraw/zinc/30/01/47/1004300147.db2.gz BJCJBTUCOMEASU-PUHATCMVSA-N 2 2 423.605 3.685 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000512434790 1004300161 /nfs/dbraw/zinc/30/01/61/1004300161.db2.gz BJCJBTUCOMEASU-PUHATCMVSA-N 2 2 423.605 3.685 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512434788 1004300361 /nfs/dbraw/zinc/30/03/61/1004300361.db2.gz BJCJBTUCOMEASU-AKIFATBCSA-N 2 2 423.605 3.685 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000512434788 1004300366 /nfs/dbraw/zinc/30/03/66/1004300366.db2.gz BJCJBTUCOMEASU-AKIFATBCSA-N 2 2 423.605 3.685 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000501250154 1004313960 /nfs/dbraw/zinc/31/39/60/1004313960.db2.gz ITANZZRRPMRQQB-OAQYLSRUSA-N 2 2 414.619 3.528 20 0 HHADLP C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000501271544 1004325637 /nfs/dbraw/zinc/32/56/37/1004325637.db2.gz ODNOMAOCKJPDDY-HXUWFJFHSA-N 2 2 421.585 3.796 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000501328191 1004351630 /nfs/dbraw/zinc/35/16/30/1004351630.db2.gz OGVTWNIDZJYBPY-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000501328191 1004351638 /nfs/dbraw/zinc/35/16/38/1004351638.db2.gz OGVTWNIDZJYBPY-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347737 1004359743 /nfs/dbraw/zinc/35/97/43/1004359743.db2.gz AYQWFUZXTZZRBA-FCHUYYIVSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2n[nH]cc21 ZINC000501347737 1004359750 /nfs/dbraw/zinc/35/97/50/1004359750.db2.gz AYQWFUZXTZZRBA-FCHUYYIVSA-N 2 2 412.582 3.672 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000510185926 1004382708 /nfs/dbraw/zinc/38/27/08/1004382708.db2.gz PSNVUNZFXPQAPI-UHFFFAOYSA-N 2 2 408.377 3.946 20 0 HHADLP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000510185926 1004382715 /nfs/dbraw/zinc/38/27/15/1004382715.db2.gz PSNVUNZFXPQAPI-UHFFFAOYSA-N 2 2 408.377 3.946 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000501401266 1004394144 /nfs/dbraw/zinc/39/41/44/1004394144.db2.gz SSWFFDQPEGSFGT-QHCPKHFHSA-N 2 2 421.589 3.708 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000501401266 1004394152 /nfs/dbraw/zinc/39/41/52/1004394152.db2.gz SSWFFDQPEGSFGT-QHCPKHFHSA-N 2 2 421.589 3.708 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471887 /nfs/dbraw/zinc/47/18/87/1004471887.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512661173 1004471895 /nfs/dbraw/zinc/47/18/95/1004471895.db2.gz QFYNDDHECLMNKS-ISJGIBHGSA-N 3 2 411.634 3.912 20 0 HHADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000512664337 1004475664 /nfs/dbraw/zinc/47/56/64/1004475664.db2.gz ZYUUGIMXDRLGIO-QFIPXVFZSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000512664337 1004475667 /nfs/dbraw/zinc/47/56/67/1004475667.db2.gz ZYUUGIMXDRLGIO-QFIPXVFZSA-N 2 2 415.585 3.972 20 0 HHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000512692829 1004499340 /nfs/dbraw/zinc/49/93/40/1004499340.db2.gz ICNPDWIRDCEYRH-RTBURBONSA-N 2 2 413.585 3.619 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501539107 1004500561 /nfs/dbraw/zinc/50/05/61/1004500561.db2.gz WEMRXIBVAGUKPS-UAFMIMERSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501539107 1004500571 /nfs/dbraw/zinc/50/05/71/1004500571.db2.gz WEMRXIBVAGUKPS-UAFMIMERSA-N 2 2 402.583 3.538 20 0 HHADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701854 1004504900 /nfs/dbraw/zinc/50/49/00/1004504900.db2.gz WGOHGVLPYNNCNW-OAQYLSRUSA-N 2 2 416.573 3.506 20 0 HHADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512701854 1004504906 /nfs/dbraw/zinc/50/49/06/1004504906.db2.gz WGOHGVLPYNNCNW-OAQYLSRUSA-N 2 2 416.573 3.506 20 0 HHADLP Clc1ccc(-n2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)cn2)cc1 ZINC000512827017 1004585811 /nfs/dbraw/zinc/58/58/11/1004585811.db2.gz JIHLBJYQVRRWIN-UHFFFAOYSA-N 2 2 409.965 3.828 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000512844485 1004605631 /nfs/dbraw/zinc/60/56/31/1004605631.db2.gz ILKPBDJZXVUWGM-GOSISDBHSA-N 2 2 421.467 3.523 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000512844485 1004605637 /nfs/dbraw/zinc/60/56/37/1004605637.db2.gz ILKPBDJZXVUWGM-GOSISDBHSA-N 2 2 421.467 3.523 20 0 HHADLP O=C(Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1)c1ccncc1 ZINC000513053788 1004781087 /nfs/dbraw/zinc/78/10/87/1004781087.db2.gz YHSNAHQXVXIRDU-UHFFFAOYSA-N 2 2 406.452 3.840 20 0 HHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000513055566 1004782291 /nfs/dbraw/zinc/78/22/91/1004782291.db2.gz AYPLKUGDKHHHQD-RXVVDRJESA-N 2 2 421.651 3.896 20 0 HHADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000513102527 1004806813 /nfs/dbraw/zinc/80/68/13/1004806813.db2.gz ZKYZDRNDJGIYJI-BRWVUGGUSA-N 2 2 417.903 3.722 20 0 HHADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000513102527 1004806817 /nfs/dbraw/zinc/80/68/17/1004806817.db2.gz ZKYZDRNDJGIYJI-BRWVUGGUSA-N 2 2 417.903 3.722 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000510747795 1004830501 /nfs/dbraw/zinc/83/05/01/1004830501.db2.gz ODVFMAGUXNPCID-MOPGFXCFSA-N 2 2 422.411 3.977 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC000510747795 1004830510 /nfs/dbraw/zinc/83/05/10/1004830510.db2.gz ODVFMAGUXNPCID-MOPGFXCFSA-N 2 2 422.411 3.977 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCC[NH+](C)Cc3ccco3)n2)C1 ZINC000513320397 1004910776 /nfs/dbraw/zinc/91/07/76/1004910776.db2.gz LUAANHOCWYAUKY-QGZVFWFLSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCC[NH+](C)Cc3ccco3)n2)C1 ZINC000513320397 1004910783 /nfs/dbraw/zinc/91/07/83/1004910783.db2.gz LUAANHOCWYAUKY-QGZVFWFLSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CCC[N@H+](C)Cc3ccco3)n2)C1 ZINC000513320397 1004910786 /nfs/dbraw/zinc/91/07/86/1004910786.db2.gz LUAANHOCWYAUKY-QGZVFWFLSA-N 2 2 419.595 3.954 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)n2)C1 ZINC000513320397 1004910792 /nfs/dbraw/zinc/91/07/92/1004910792.db2.gz LUAANHOCWYAUKY-QGZVFWFLSA-N 2 2 419.595 3.954 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000513497014 1004990831 /nfs/dbraw/zinc/99/08/31/1004990831.db2.gz PEUZGLWPQZSWOD-XMMPIXPASA-N 2 2 422.548 3.861 20 0 HHADLP O=C(COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCC1 ZINC000502335171 1005018180 /nfs/dbraw/zinc/01/81/80/1005018180.db2.gz ALEFCVQEQIUVLR-NRFANRHFSA-N 2 2 422.573 3.600 20 0 HHADLP O=C(COc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCC1 ZINC000502335171 1005018185 /nfs/dbraw/zinc/01/81/85/1005018185.db2.gz ALEFCVQEQIUVLR-NRFANRHFSA-N 2 2 422.573 3.600 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000513638661 1005060775 /nfs/dbraw/zinc/06/07/75/1005060775.db2.gz VASILDSLFROUNM-UHFFFAOYSA-N 2 2 415.475 3.611 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000513685020 1005081611 /nfs/dbraw/zinc/08/16/11/1005081611.db2.gz WFHBNBTXPAKABS-UHFFFAOYSA-N 2 2 415.475 3.611 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502509512 1005096496 /nfs/dbraw/zinc/09/64/96/1005096496.db2.gz KPSWJSLSNCEDKN-UHFFFAOYSA-N 2 2 413.541 3.809 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268558 1005099693 /nfs/dbraw/zinc/09/96/93/1005099693.db2.gz WTZYJVHSUWSCTJ-IPKJWILSSA-N 2 2 410.606 3.680 20 0 HHADLP C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268558 1005099698 /nfs/dbraw/zinc/09/96/98/1005099698.db2.gz WTZYJVHSUWSCTJ-IPKJWILSSA-N 2 2 410.606 3.680 20 0 HHADLP CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366873 1005141235 /nfs/dbraw/zinc/14/12/35/1005141235.db2.gz LBZVAZDAOMCIJK-FGZHOGPDSA-N 2 2 405.945 3.702 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000513892340 1005176039 /nfs/dbraw/zinc/17/60/39/1005176039.db2.gz XBVAILOILOZUAM-JOCHJYFZSA-N 2 2 407.493 3.648 20 0 HHADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000511581002 1005232879 /nfs/dbraw/zinc/23/28/79/1005232879.db2.gz OTXPRXHYPQQKDE-AABGKKOBSA-N 2 2 402.583 3.539 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514027444 1005234093 /nfs/dbraw/zinc/23/40/93/1005234093.db2.gz RWEQCZWOLNAGQB-UHFFFAOYSA-N 2 2 421.520 3.997 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000514051994 1005244346 /nfs/dbraw/zinc/24/43/46/1005244346.db2.gz OVTZGYKURZLGSN-OAQYLSRUSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000514051994 1005244351 /nfs/dbraw/zinc/24/43/51/1005244351.db2.gz OVTZGYKURZLGSN-OAQYLSRUSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000514056358 1005246967 /nfs/dbraw/zinc/24/69/67/1005246967.db2.gz BYWICNVTJIBGHV-XMMPIXPASA-N 2 2 417.557 3.785 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000514056358 1005246972 /nfs/dbraw/zinc/24/69/72/1005246972.db2.gz BYWICNVTJIBGHV-XMMPIXPASA-N 2 2 417.557 3.785 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502877941 1005255081 /nfs/dbraw/zinc/25/50/81/1005255081.db2.gz SNKWLFZDVHOGGF-NJYVYQBISA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502877941 1005255082 /nfs/dbraw/zinc/25/50/82/1005255082.db2.gz SNKWLFZDVHOGGF-NJYVYQBISA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502877941 1005255087 /nfs/dbraw/zinc/25/50/87/1005255087.db2.gz SNKWLFZDVHOGGF-NJYVYQBISA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1CCC[NH+](CCCCNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000502877941 1005255091 /nfs/dbraw/zinc/25/50/91/1005255091.db2.gz SNKWLFZDVHOGGF-NJYVYQBISA-N 2 2 416.610 3.929 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514242250 1005329020 /nfs/dbraw/zinc/32/90/20/1005329020.db2.gz RBIXXHLYXFHAHN-OXJNMPFZSA-N 2 2 403.958 3.617 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503054789 1005329990 /nfs/dbraw/zinc/32/99/90/1005329990.db2.gz UMUKHPYFBRWJCE-WMZHIEFXSA-N 2 2 404.514 3.984 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503054789 1005329994 /nfs/dbraw/zinc/32/99/94/1005329994.db2.gz UMUKHPYFBRWJCE-WMZHIEFXSA-N 2 2 404.514 3.984 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503063907 1005334182 /nfs/dbraw/zinc/33/41/82/1005334182.db2.gz OUSCBUQFGMKQOC-GPMSIDNRSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503063907 1005334184 /nfs/dbraw/zinc/33/41/84/1005334184.db2.gz OUSCBUQFGMKQOC-GPMSIDNRSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503073941 1005338583 /nfs/dbraw/zinc/33/85/83/1005338583.db2.gz IZIRHGNTHQIEQE-QFBILLFUSA-N 2 2 423.542 3.719 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503073941 1005338588 /nfs/dbraw/zinc/33/85/88/1005338588.db2.gz IZIRHGNTHQIEQE-QFBILLFUSA-N 2 2 423.542 3.719 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503076035 1005339745 /nfs/dbraw/zinc/33/97/45/1005339745.db2.gz VKSLVSDCIVUVQI-VJBMBRPKSA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503076035 1005339750 /nfs/dbraw/zinc/33/97/50/1005339750.db2.gz VKSLVSDCIVUVQI-VJBMBRPKSA-N 2 2 410.562 3.919 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159316 1005359360 /nfs/dbraw/zinc/35/93/60/1005359360.db2.gz IKXGVWPWRPMKKX-FGZHOGPDSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000503159316 1005359362 /nfs/dbraw/zinc/35/93/62/1005359362.db2.gz IKXGVWPWRPMKKX-FGZHOGPDSA-N 2 2 412.965 3.825 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000503255059 1005377985 /nfs/dbraw/zinc/37/79/85/1005377985.db2.gz HQVCLKZECGSCFZ-OAHLLOKOSA-N 2 2 400.394 3.656 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000503255059 1005377987 /nfs/dbraw/zinc/37/79/87/1005377987.db2.gz HQVCLKZECGSCFZ-OAHLLOKOSA-N 2 2 400.394 3.656 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CCCC3)CC2)CC1 ZINC000503304019 1005387087 /nfs/dbraw/zinc/38/70/87/1005387087.db2.gz GZQMGLGHFHBWKO-UHFFFAOYSA-N 2 2 419.013 3.967 20 0 HHADLP O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375694 1005401651 /nfs/dbraw/zinc/40/16/51/1005401651.db2.gz LWXASZFSHKHBSK-RBBKRZOGSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375694 1005401652 /nfs/dbraw/zinc/40/16/52/1005401652.db2.gz LWXASZFSHKHBSK-RBBKRZOGSA-N 2 2 405.542 3.992 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379754 1005402912 /nfs/dbraw/zinc/40/29/12/1005402912.db2.gz REHWADJGEMQJIB-QUCCMNQESA-N 2 2 419.573 3.628 20 0 HHADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503379754 1005402915 /nfs/dbraw/zinc/40/29/15/1005402915.db2.gz REHWADJGEMQJIB-QUCCMNQESA-N 2 2 419.573 3.628 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411229 1005412039 /nfs/dbraw/zinc/41/20/39/1005412039.db2.gz CZHKGVNQEFMBPI-PKOBYXMFSA-N 2 2 403.954 3.801 20 0 HHADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503411229 1005412040 /nfs/dbraw/zinc/41/20/40/1005412040.db2.gz CZHKGVNQEFMBPI-PKOBYXMFSA-N 2 2 403.954 3.801 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503441596 1005421677 /nfs/dbraw/zinc/42/16/77/1005421677.db2.gz HETXGQSFCRMATC-QFIPXVFZSA-N 2 2 413.610 3.870 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000503465272 1005428861 /nfs/dbraw/zinc/42/88/61/1005428861.db2.gz DVWJIOLQBOZHJI-QHCPKHFHSA-N 2 2 418.541 3.764 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000503465272 1005428862 /nfs/dbraw/zinc/42/88/62/1005428862.db2.gz DVWJIOLQBOZHJI-QHCPKHFHSA-N 2 2 418.541 3.764 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503469612 1005430006 /nfs/dbraw/zinc/43/00/06/1005430006.db2.gz ZINAWLUOHNCGSJ-HSZRJFAPSA-N 2 2 423.605 3.772 20 0 HHADLP C[NH+](C)CCOc1ccccc1-c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000514631286 1006060801 /nfs/dbraw/zinc/06/08/01/1006060801.db2.gz JOBDNDYGPZFUCY-NRFANRHFSA-N 2 2 424.570 3.815 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000534207076 1006200794 /nfs/dbraw/zinc/20/07/94/1006200794.db2.gz LOJZYFKBEKSQMY-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000534207076 1006200805 /nfs/dbraw/zinc/20/08/05/1006200805.db2.gz LOJZYFKBEKSQMY-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000515017964 1006252543 /nfs/dbraw/zinc/25/25/43/1006252543.db2.gz CGKLFTPAZHPXTN-RUZDIDTESA-N 2 2 416.569 3.673 20 0 HHADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000515017964 1006252555 /nfs/dbraw/zinc/25/25/55/1006252555.db2.gz CGKLFTPAZHPXTN-RUZDIDTESA-N 2 2 416.569 3.673 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000531585040 1006286424 /nfs/dbraw/zinc/28/64/24/1006286424.db2.gz MWDPNFSOQLMQNS-DUXKGJEZSA-N 2 2 415.969 3.966 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357529 1006318185 /nfs/dbraw/zinc/31/81/85/1006318185.db2.gz BMTQQBFTEJNRQK-NJDAHSKKSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357529 1006318197 /nfs/dbraw/zinc/31/81/97/1006318197.db2.gz BMTQQBFTEJNRQK-NJDAHSKKSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360427 1006324091 /nfs/dbraw/zinc/32/40/91/1006324091.db2.gz MQSSDRSAIXLJRR-UXHICEINSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360427 1006324104 /nfs/dbraw/zinc/32/41/04/1006324104.db2.gz MQSSDRSAIXLJRR-UXHICEINSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360815 1006325396 /nfs/dbraw/zinc/32/53/96/1006325396.db2.gz QMHWMWVXILMBDE-LEWJYISDSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360815 1006325407 /nfs/dbraw/zinc/32/54/07/1006325407.db2.gz QMHWMWVXILMBDE-LEWJYISDSA-N 2 2 423.548 3.626 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385213 1006358623 /nfs/dbraw/zinc/35/86/23/1006358623.db2.gz UFDRHWSXKWHWGD-KCLUMXDGSA-N 2 2 410.672 3.639 20 0 HHADLP CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000534385213 1006358633 /nfs/dbraw/zinc/35/86/33/1006358633.db2.gz UFDRHWSXKWHWGD-KCLUMXDGSA-N 2 2 410.672 3.639 20 0 HHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)CC2)C1 ZINC000531932219 1006529423 /nfs/dbraw/zinc/52/94/23/1006529423.db2.gz LRODDJRQLIJJNG-HJNYFJLDSA-N 3 2 404.668 3.669 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954096 1006543311 /nfs/dbraw/zinc/54/33/11/1006543311.db2.gz FNNZRGDPHIIDRD-GCJKJVERSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954096 1006543321 /nfs/dbraw/zinc/54/33/21/1006543321.db2.gz FNNZRGDPHIIDRD-GCJKJVERSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000531963678 1006549722 /nfs/dbraw/zinc/54/97/22/1006549722.db2.gz OLBPWZVJBJGDTD-HNNXBMFYSA-N 2 2 407.345 3.778 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000534599881 1006581897 /nfs/dbraw/zinc/58/18/97/1006581897.db2.gz XASVCIMURUYMRH-UHFFFAOYSA-N 2 2 401.514 3.985 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394187 1006663902 /nfs/dbraw/zinc/66/39/02/1006663902.db2.gz QTJQQRBMOFAPIN-YOEHRIQHSA-N 2 2 422.367 3.789 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394187 1006663904 /nfs/dbraw/zinc/66/39/04/1006663904.db2.gz QTJQQRBMOFAPIN-YOEHRIQHSA-N 2 2 422.367 3.789 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394186 1006664082 /nfs/dbraw/zinc/66/40/82/1006664082.db2.gz QTJQQRBMOFAPIN-WMLDXEAASA-N 2 2 422.367 3.789 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394186 1006664088 /nfs/dbraw/zinc/66/40/88/1006664088.db2.gz QTJQQRBMOFAPIN-WMLDXEAASA-N 2 2 422.367 3.789 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394185 1006664172 /nfs/dbraw/zinc/66/41/72/1006664172.db2.gz QTJQQRBMOFAPIN-RHSMWYFYSA-N 2 2 422.367 3.789 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cc(Br)ccc2o1 ZINC000538394185 1006664178 /nfs/dbraw/zinc/66/41/78/1006664178.db2.gz QTJQQRBMOFAPIN-RHSMWYFYSA-N 2 2 422.367 3.789 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000515876243 1006731757 /nfs/dbraw/zinc/73/17/57/1006731757.db2.gz QNNPIXXTQLYWTR-UHFFFAOYSA-N 2 2 421.520 3.534 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467575 1006736627 /nfs/dbraw/zinc/73/66/27/1006736627.db2.gz IVXYIJWVLHMYJS-UYAOXDASSA-N 2 2 409.496 3.614 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467575 1006736638 /nfs/dbraw/zinc/73/66/38/1006736638.db2.gz IVXYIJWVLHMYJS-UYAOXDASSA-N 2 2 409.496 3.614 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488036 1006757447 /nfs/dbraw/zinc/75/74/47/1006757447.db2.gz LOAFMOCCTQEWMJ-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488036 1006757458 /nfs/dbraw/zinc/75/74/58/1006757458.db2.gz LOAFMOCCTQEWMJ-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488036 1006757472 /nfs/dbraw/zinc/75/74/72/1006757472.db2.gz LOAFMOCCTQEWMJ-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488036 1006757484 /nfs/dbraw/zinc/75/74/84/1006757484.db2.gz LOAFMOCCTQEWMJ-UYAOXDASSA-N 2 2 411.512 3.860 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496544 1006764063 /nfs/dbraw/zinc/76/40/63/1006764063.db2.gz PJACUEGOZRCNPW-DHIUTWEWSA-N 2 2 417.642 3.962 20 0 HHADLP CCC(CC)n1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538496544 1006764074 /nfs/dbraw/zinc/76/40/74/1006764074.db2.gz PJACUEGOZRCNPW-DHIUTWEWSA-N 2 2 417.642 3.962 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000534793800 1006797326 /nfs/dbraw/zinc/79/73/26/1006797326.db2.gz PRPMGSLZGBQWHI-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000534793800 1006797338 /nfs/dbraw/zinc/79/73/38/1006797338.db2.gz PRPMGSLZGBQWHI-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441984 1006885453 /nfs/dbraw/zinc/88/54/53/1006885453.db2.gz TZQSFJGCHLOCND-YMPZKCBVSA-N 3 2 412.647 3.679 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441984 1006885467 /nfs/dbraw/zinc/88/54/67/1006885467.db2.gz TZQSFJGCHLOCND-YMPZKCBVSA-N 3 2 412.647 3.679 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626869 1007047859 /nfs/dbraw/zinc/04/78/59/1007047859.db2.gz UKRYTYCOCMWCKT-BJKOFHAPSA-N 2 2 424.589 3.514 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)[NH+]2CCCCC2)cc1 ZINC000532626869 1007047873 /nfs/dbraw/zinc/04/78/73/1007047873.db2.gz UKRYTYCOCMWCKT-BJKOFHAPSA-N 2 2 424.589 3.514 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093656 1007108009 /nfs/dbraw/zinc/10/80/09/1007108009.db2.gz DCNBFHOTIMCMAG-BJKOFHAPSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093656 1007108018 /nfs/dbraw/zinc/10/80/18/1007108018.db2.gz DCNBFHOTIMCMAG-BJKOFHAPSA-N 2 2 408.590 3.887 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093978 1007109775 /nfs/dbraw/zinc/10/97/75/1007109775.db2.gz FVXLGXRMYPZGLF-PKTZIBPZSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093978 1007109779 /nfs/dbraw/zinc/10/97/79/1007109779.db2.gz FVXLGXRMYPZGLF-PKTZIBPZSA-N 2 2 408.590 3.952 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094507 1007109892 /nfs/dbraw/zinc/10/98/92/1007109892.db2.gz IQDACYKHDINRDR-OALUTQOASA-N 2 2 406.640 3.813 20 0 HHADLP CCCc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000535094507 1007109895 /nfs/dbraw/zinc/10/98/95/1007109895.db2.gz IQDACYKHDINRDR-OALUTQOASA-N 2 2 406.640 3.813 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095107 1007110474 /nfs/dbraw/zinc/11/04/74/1007110474.db2.gz JRKDFBTYWIITGR-WOJBJXKFSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095107 1007110481 /nfs/dbraw/zinc/11/04/81/1007110481.db2.gz JRKDFBTYWIITGR-WOJBJXKFSA-N 2 2 423.548 3.626 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095306 1007110801 /nfs/dbraw/zinc/11/08/01/1007110801.db2.gz MFULANNHTUGRLC-WMQCIHAUSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095306 1007110818 /nfs/dbraw/zinc/11/08/18/1007110818.db2.gz MFULANNHTUGRLC-WMQCIHAUSA-N 2 2 422.013 3.903 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095016 1007110848 /nfs/dbraw/zinc/11/08/48/1007110848.db2.gz MAHSTTTZRLAESM-UXHICEINSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000535095016 1007110850 /nfs/dbraw/zinc/11/08/50/1007110850.db2.gz MAHSTTTZRLAESM-UXHICEINSA-N 2 2 404.624 3.603 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095450 1007112296 /nfs/dbraw/zinc/11/22/96/1007112296.db2.gz LDHSJYIAIQCQMV-YGOYIFOWSA-N 2 2 415.622 3.984 20 0 HHADLP COc1cccc([C@H](C)CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535095450 1007112304 /nfs/dbraw/zinc/11/23/04/1007112304.db2.gz LDHSJYIAIQCQMV-YGOYIFOWSA-N 2 2 415.622 3.984 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096217 1007113416 /nfs/dbraw/zinc/11/34/16/1007113416.db2.gz MTCFGWAUNLKEDM-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP CCCOc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535096217 1007113421 /nfs/dbraw/zinc/11/34/21/1007113421.db2.gz MTCFGWAUNLKEDM-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119322 1007150393 /nfs/dbraw/zinc/15/03/93/1007150393.db2.gz AMXUCEGHNNTNOI-DHIUTWEWSA-N 2 2 423.605 3.713 20 0 HHADLP CN(C(=O)NCc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119322 1007150397 /nfs/dbraw/zinc/15/03/97/1007150397.db2.gz AMXUCEGHNNTNOI-DHIUTWEWSA-N 2 2 423.605 3.713 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119609 1007151641 /nfs/dbraw/zinc/15/16/41/1007151641.db2.gz CNHAQQUSRPADCG-PKTZIBPZSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119609 1007151647 /nfs/dbraw/zinc/15/16/47/1007151647.db2.gz CNHAQQUSRPADCG-PKTZIBPZSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535119613 1007151856 /nfs/dbraw/zinc/15/18/56/1007151856.db2.gz CNHAQQUSRPADCG-XZOQPEGZSA-N 2 2 418.601 3.655 20 0 HHADLP Cc1cc(F)ccc1CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535119613 1007151860 /nfs/dbraw/zinc/15/18/60/1007151860.db2.gz CNHAQQUSRPADCG-XZOQPEGZSA-N 2 2 418.601 3.655 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119803 1007151993 /nfs/dbraw/zinc/15/19/93/1007151993.db2.gz DDSPYEPIMDJBJM-VXKWHMMOSA-N 2 2 422.658 3.562 20 0 HHADLP COCCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000535119803 1007152006 /nfs/dbraw/zinc/15/20/06/1007152006.db2.gz DDSPYEPIMDJBJM-VXKWHMMOSA-N 2 2 422.658 3.562 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535121324 1007153587 /nfs/dbraw/zinc/15/35/87/1007153587.db2.gz KCPGCQYZAAYFCN-JRFVFWCSSA-N 2 2 412.622 3.523 20 0 HHADLP CN(C(=O)N[C@@H]1CCc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535121324 1007153594 /nfs/dbraw/zinc/15/35/94/1007153594.db2.gz KCPGCQYZAAYFCN-JRFVFWCSSA-N 2 2 412.622 3.523 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122808 1007155966 /nfs/dbraw/zinc/15/59/66/1007155966.db2.gz YFLYMYPCEWXGCQ-YUXAGFNASA-N 2 2 418.630 3.504 20 0 HHADLP CC(C)n1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535122808 1007155970 /nfs/dbraw/zinc/15/59/70/1007155970.db2.gz YFLYMYPCEWXGCQ-YUXAGFNASA-N 2 2 418.630 3.504 20 0 HHADLP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000532957101 1007322765 /nfs/dbraw/zinc/32/27/65/1007322765.db2.gz DEUYWYBXIRIQLB-GJZGRUSLSA-N 2 2 414.377 3.753 20 0 HHADLP COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280678 1007332361 /nfs/dbraw/zinc/33/23/61/1007332361.db2.gz IOCZBZVHXLXQCX-VWNXMTODSA-N 2 2 408.590 3.693 20 0 HHADLP COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000535280678 1007332373 /nfs/dbraw/zinc/33/23/73/1007332373.db2.gz IOCZBZVHXLXQCX-VWNXMTODSA-N 2 2 408.590 3.693 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045276 1007341876 /nfs/dbraw/zinc/34/18/76/1007341876.db2.gz ILPILWMNFPAYSL-RADWXHQJSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000539045276 1007341890 /nfs/dbraw/zinc/34/18/90/1007341890.db2.gz ILPILWMNFPAYSL-RADWXHQJSA-N 2 2 402.945 3.953 20 0 HHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000539045714 1007343333 /nfs/dbraw/zinc/34/33/33/1007343333.db2.gz FHPMACHXZDAOAG-HOTGVXAUSA-N 2 2 405.539 3.500 20 0 HHADLP COCCOCc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000516993535 1007362680 /nfs/dbraw/zinc/36/26/80/1007362680.db2.gz VVUPICAOOPGYAE-UHFFFAOYSA-N 2 2 400.485 3.745 20 0 HHADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000539078135 1007369619 /nfs/dbraw/zinc/36/96/19/1007369619.db2.gz MUPBZDZIBHHOBI-SFTDATJTSA-N 2 2 409.578 3.558 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539093751 1007383363 /nfs/dbraw/zinc/38/33/63/1007383363.db2.gz QEMUZTHHOHIKOI-AQNXPRMDSA-N 2 2 418.541 3.973 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533171973 1007512814 /nfs/dbraw/zinc/51/28/14/1007512814.db2.gz AFKHMBWIORNZNB-RBUKOAKNSA-N 2 2 407.921 3.509 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533171973 1007512835 /nfs/dbraw/zinc/51/28/35/1007512835.db2.gz AFKHMBWIORNZNB-RBUKOAKNSA-N 2 2 407.921 3.509 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533171974 1007513069 /nfs/dbraw/zinc/51/30/69/1007513069.db2.gz AFKHMBWIORNZNB-RTBURBONSA-N 2 2 407.921 3.509 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533171974 1007513078 /nfs/dbraw/zinc/51/30/78/1007513078.db2.gz AFKHMBWIORNZNB-RTBURBONSA-N 2 2 407.921 3.509 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172848 1007514490 /nfs/dbraw/zinc/51/44/90/1007514490.db2.gz FKVQBAHRNJFPRA-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172848 1007514496 /nfs/dbraw/zinc/51/44/96/1007514496.db2.gz FKVQBAHRNJFPRA-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172850 1007514915 /nfs/dbraw/zinc/51/49/15/1007514915.db2.gz FKVQBAHRNJFPRA-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000533172850 1007514922 /nfs/dbraw/zinc/51/49/22/1007514922.db2.gz FKVQBAHRNJFPRA-SFTDATJTSA-N 2 2 418.944 3.785 20 0 HHADLP CCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000539303008 1007600972 /nfs/dbraw/zinc/60/09/72/1007600972.db2.gz HZOJDAQITIDCLK-QGZVFWFLSA-N 2 2 403.617 3.855 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4cc(Cl)ccc43)cc2)CC1 ZINC000539307268 1007604866 /nfs/dbraw/zinc/60/48/66/1007604866.db2.gz RKQIEWXAQKSJAQ-OAQYLSRUSA-N 2 2 413.949 3.731 20 0 HHADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533347541 1007655796 /nfs/dbraw/zinc/65/57/96/1007655796.db2.gz MWCKNLBZGMLCBN-QGZVFWFLSA-N 2 2 410.518 3.979 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535660190 1007675890 /nfs/dbraw/zinc/67/58/90/1007675890.db2.gz WSVOZKAWNWNXJT-IAGOWNOFSA-N 2 2 422.643 3.637 20 0 HHADLP CN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535660190 1007675898 /nfs/dbraw/zinc/67/58/98/1007675898.db2.gz WSVOZKAWNWNXJT-IAGOWNOFSA-N 2 2 422.643 3.637 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000535681219 1007710366 /nfs/dbraw/zinc/71/03/66/1007710366.db2.gz QSAURSBXKIPHLJ-UHFFFAOYSA-N 2 2 405.543 3.651 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540877 1007756968 /nfs/dbraw/zinc/75/69/68/1007756968.db2.gz LUCFIPUVRLCEQB-DENIHFKCSA-N 2 2 407.562 3.707 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000517540877 1007756979 /nfs/dbraw/zinc/75/69/79/1007756979.db2.gz LUCFIPUVRLCEQB-DENIHFKCSA-N 2 2 407.562 3.707 20 0 HHADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000533483174 1007791979 /nfs/dbraw/zinc/79/19/79/1007791979.db2.gz GJRDXFJMBPFKID-QFIPXVFZSA-N 2 2 410.587 3.714 20 0 HHADLP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000533483174 1007791987 /nfs/dbraw/zinc/79/19/87/1007791987.db2.gz GJRDXFJMBPFKID-QFIPXVFZSA-N 2 2 410.587 3.714 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533484705 1007793605 /nfs/dbraw/zinc/79/36/05/1007793605.db2.gz SAIMWUDNNQCSRL-INIZCTEOSA-N 2 2 423.542 3.861 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n(-c2ccccc2)n1 ZINC000533484794 1007793731 /nfs/dbraw/zinc/79/37/31/1007793731.db2.gz RLWUENGGWCWZHY-UHFFFAOYSA-N 2 2 406.534 3.711 20 0 HHADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793360 1007799534 /nfs/dbraw/zinc/79/95/34/1007799534.db2.gz WPPIFELPYCQFLN-ZEQRLZLVSA-N 2 2 424.589 3.817 20 0 HHADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000535793360 1007799544 /nfs/dbraw/zinc/79/95/44/1007799544.db2.gz WPPIFELPYCQFLN-ZEQRLZLVSA-N 2 2 424.589 3.817 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855575 1007869503 /nfs/dbraw/zinc/86/95/03/1007869503.db2.gz MRNILSOXUTXNCQ-YSZBQJHXSA-N 2 2 403.586 3.800 20 0 HHADLP C[C@H](Cc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855575 1007869513 /nfs/dbraw/zinc/86/95/13/1007869513.db2.gz MRNILSOXUTXNCQ-YSZBQJHXSA-N 2 2 403.586 3.800 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857981 1007873405 /nfs/dbraw/zinc/87/34/05/1007873405.db2.gz ZRGKNQRXPBYZAP-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000535857981 1007873423 /nfs/dbraw/zinc/87/34/23/1007873423.db2.gz ZRGKNQRXPBYZAP-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650549 1007962638 /nfs/dbraw/zinc/96/26/38/1007962638.db2.gz YSPMDNYMGANDTG-FGZHOGPDSA-N 2 2 415.553 3.910 20 0 HHADLP CN(C(=O)Cc1coc2cc(F)ccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650549 1007962652 /nfs/dbraw/zinc/96/26/52/1007962652.db2.gz YSPMDNYMGANDTG-FGZHOGPDSA-N 2 2 415.553 3.910 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cncn2)cc1Cl ZINC000539658917 1007975323 /nfs/dbraw/zinc/97/53/23/1007975323.db2.gz KAGLQZWFRIRHTO-YJBOKZPZSA-N 2 2 411.941 3.629 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662444 1007977739 /nfs/dbraw/zinc/97/77/39/1007977739.db2.gz HPAMHJMCSBZYCJ-FGZHOGPDSA-N 2 2 404.574 3.613 20 0 HHADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000533662444 1007977744 /nfs/dbraw/zinc/97/77/44/1007977744.db2.gz HPAMHJMCSBZYCJ-FGZHOGPDSA-N 2 2 404.574 3.613 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672329 1007990962 /nfs/dbraw/zinc/99/09/62/1007990962.db2.gz KEWHDQKBNLDCDQ-QMMLZNLJSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672329 1007990966 /nfs/dbraw/zinc/99/09/66/1007990966.db2.gz KEWHDQKBNLDCDQ-QMMLZNLJSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673317 1007992678 /nfs/dbraw/zinc/99/26/78/1007992678.db2.gz NGJNBTYFKHMKNF-LEOXJPRUSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673317 1007992684 /nfs/dbraw/zinc/99/26/84/1007992684.db2.gz NGJNBTYFKHMKNF-LEOXJPRUSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903445 1008046758 /nfs/dbraw/zinc/04/67/58/1008046758.db2.gz NFPNBFCLJNLSFO-GBXCKJPGSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)[NH+]1CCOCC1 ZINC000517903445 1008046765 /nfs/dbraw/zinc/04/67/65/1008046765.db2.gz NFPNBFCLJNLSFO-GBXCKJPGSA-N 2 2 422.573 3.866 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808368 1008126997 /nfs/dbraw/zinc/12/69/97/1008126997.db2.gz HEKBQZSUXBDVDZ-UHFFFAOYSA-N 2 2 412.603 3.761 20 0 HHADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881104 1008158471 /nfs/dbraw/zinc/15/84/71/1008158471.db2.gz UNRBDOILUILGCV-UWJYYQICSA-N 2 2 400.954 3.681 20 0 HHADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881104 1008158476 /nfs/dbraw/zinc/15/84/76/1008158476.db2.gz UNRBDOILUILGCV-UWJYYQICSA-N 2 2 400.954 3.681 20 0 HHADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881101 1008158588 /nfs/dbraw/zinc/15/85/88/1008158588.db2.gz UNRBDOILUILGCV-DYESRHJHSA-N 2 2 400.954 3.681 20 0 HHADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539881101 1008158595 /nfs/dbraw/zinc/15/85/95/1008158595.db2.gz UNRBDOILUILGCV-DYESRHJHSA-N 2 2 400.954 3.681 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)CC1 ZINC000518248193 1008224804 /nfs/dbraw/zinc/22/48/04/1008224804.db2.gz LWVQFORPOSKLHT-UHFFFAOYSA-N 2 2 418.651 3.957 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000533958695 1008233590 /nfs/dbraw/zinc/23/35/90/1008233590.db2.gz SUZBUBNQEVQTQQ-ISKFKSNPSA-N 2 2 421.589 3.775 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533958695 1008233594 /nfs/dbraw/zinc/23/35/94/1008233594.db2.gz SUZBUBNQEVQTQQ-ISKFKSNPSA-N 2 2 421.589 3.775 20 0 HHADLP CC(C)[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000518359098 1008276106 /nfs/dbraw/zinc/27/61/06/1008276106.db2.gz QIOONPSNEAVGIP-NRFANRHFSA-N 2 2 413.566 3.840 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000540245778 1008351100 /nfs/dbraw/zinc/35/11/00/1008351100.db2.gz XWVNAIDWTCHQAR-IRXDYDNUSA-N 2 2 422.520 3.522 20 0 HHADLP CC(C)CCc1nc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000540248486 1008352142 /nfs/dbraw/zinc/35/21/42/1008352142.db2.gz RBHVAQPSBTYOAA-OALUTQOASA-N 2 2 409.640 3.822 20 0 HHADLP COc1ccccc1[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000540299953 1008372236 /nfs/dbraw/zinc/37/22/36/1008372236.db2.gz FEHKOZZTZPBIOZ-VWLOTQADSA-N 2 2 422.573 3.650 20 0 HHADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000540303947 1008373353 /nfs/dbraw/zinc/37/33/53/1008373353.db2.gz ZINGGNBRAVIEKR-UWJYYQICSA-N 2 2 411.981 3.866 20 0 HHADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000540321553 1008379039 /nfs/dbraw/zinc/37/90/39/1008379039.db2.gz UVFPQQZPUNOJJY-ROUUACIJSA-N 2 2 401.576 3.648 20 0 HHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000540363780 1008400836 /nfs/dbraw/zinc/40/08/36/1008400836.db2.gz UMRYDHNOLMRDBS-MRXNPFEDSA-N 2 2 402.564 3.815 20 0 HHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000540441299 1008435789 /nfs/dbraw/zinc/43/57/89/1008435789.db2.gz IECQUGHHUMRFGU-MRXNPFEDSA-N 2 2 417.550 3.672 20 0 HHADLP C[C@H](c1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000518912017 1008470422 /nfs/dbraw/zinc/47/04/22/1008470422.db2.gz BSUTWRPRTSCGPN-UZLBHIALSA-N 2 2 402.564 3.566 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549959 1008477196 /nfs/dbraw/zinc/47/71/96/1008477196.db2.gz QOWFGRZRMPBIJU-NHCUHLMSSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000540549959 1008477198 /nfs/dbraw/zinc/47/71/98/1008477198.db2.gz QOWFGRZRMPBIJU-NHCUHLMSSA-N 2 2 418.630 3.730 20 0 HHADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000548987830 1008564393 /nfs/dbraw/zinc/56/43/93/1008564393.db2.gz HSMFRVRPZUMOFD-RPWUZVMVSA-N 2 2 402.542 3.614 20 0 HHADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000548987830 1008564398 /nfs/dbraw/zinc/56/43/98/1008564398.db2.gz HSMFRVRPZUMOFD-RPWUZVMVSA-N 2 2 402.542 3.614 20 0 HHADLP C[N@H+](CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000519207856 1008612726 /nfs/dbraw/zinc/61/27/26/1008612726.db2.gz GKBBRQZIIYMWRE-LJQANCHMSA-N 2 2 410.965 3.790 20 0 HHADLP C[N@@H+](CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000519207856 1008612733 /nfs/dbraw/zinc/61/27/33/1008612733.db2.gz GKBBRQZIIYMWRE-LJQANCHMSA-N 2 2 410.965 3.790 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543043768 1008626334 /nfs/dbraw/zinc/62/63/34/1008626334.db2.gz KGSQZPAMHZJAJB-TZIWHRDSSA-N 2 2 401.599 3.738 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543043768 1008626340 /nfs/dbraw/zinc/62/63/40/1008626340.db2.gz KGSQZPAMHZJAJB-TZIWHRDSSA-N 2 2 401.599 3.738 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108538 1008681923 /nfs/dbraw/zinc/68/19/23/1008681923.db2.gz ITKXCTMPXHIMBE-RTWAWAEBSA-N 2 2 405.558 3.634 20 0 HHADLP CCOc1c(F)cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108538 1008681929 /nfs/dbraw/zinc/68/19/29/1008681929.db2.gz ITKXCTMPXHIMBE-RTWAWAEBSA-N 2 2 405.558 3.634 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000549161320 1008732310 /nfs/dbraw/zinc/73/23/10/1008732310.db2.gz BGDZFYAGOUCQOK-GGAORHGYSA-N 2 2 407.558 3.517 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000549161320 1008732322 /nfs/dbraw/zinc/73/23/22/1008732322.db2.gz BGDZFYAGOUCQOK-GGAORHGYSA-N 2 2 407.558 3.517 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000543177629 1008752236 /nfs/dbraw/zinc/75/22/36/1008752236.db2.gz XXFGDXWOGMAZSH-IBGZPJMESA-N 3 2 422.552 3.708 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000543247059 1008815527 /nfs/dbraw/zinc/81/55/27/1008815527.db2.gz KFALDLSACQWFNZ-UHFFFAOYSA-N 3 2 409.603 3.934 20 0 HHADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868634 1008956686 /nfs/dbraw/zinc/95/66/86/1008956686.db2.gz VWGVRNVZTWPGQQ-VQTJNVASSA-N 2 2 407.327 3.528 20 0 HHADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868634 1008956702 /nfs/dbraw/zinc/95/67/02/1008956702.db2.gz VWGVRNVZTWPGQQ-VQTJNVASSA-N 2 2 407.327 3.528 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1Cl ZINC000549384100 1008968947 /nfs/dbraw/zinc/96/89/47/1008968947.db2.gz BVEANTCRKUEDLB-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1Cl ZINC000549384100 1008968956 /nfs/dbraw/zinc/96/89/56/1008968956.db2.gz BVEANTCRKUEDLB-UHFFFAOYSA-N 2 2 417.779 3.592 20 0 HHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000543397956 1008989423 /nfs/dbraw/zinc/98/94/23/1008989423.db2.gz LWHWINNXITYSHE-OAHLLOKOSA-N 2 2 411.449 3.824 20 0 HHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000543397956 1008989449 /nfs/dbraw/zinc/98/94/49/1008989449.db2.gz LWHWINNXITYSHE-OAHLLOKOSA-N 2 2 411.449 3.824 20 0 HHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)cc2)CC1 ZINC000543405682 1008999610 /nfs/dbraw/zinc/99/96/10/1008999610.db2.gz CCKOSUDOBSSCLN-VWLOTQADSA-N 2 2 419.548 3.632 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545969989 1009025210 /nfs/dbraw/zinc/02/52/10/1009025210.db2.gz LNZUPMGGXXJVLO-CGSZWWBZSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545969989 1009025224 /nfs/dbraw/zinc/02/52/24/1009025224.db2.gz LNZUPMGGXXJVLO-CGSZWWBZSA-N 2 2 412.622 3.911 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558361 1009176557 /nfs/dbraw/zinc/17/65/57/1009176557.db2.gz CHOIJDKBSRPGAS-RBZQAINGSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558361 1009176566 /nfs/dbraw/zinc/17/65/66/1009176566.db2.gz CHOIJDKBSRPGAS-RBZQAINGSA-N 2 2 412.622 3.961 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000520188975 1009330301 /nfs/dbraw/zinc/33/03/01/1009330301.db2.gz ZERAFCJJFDUQCP-DHIUTWEWSA-N 2 2 411.615 3.758 20 0 HHADLP COc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)c1OC(F)F ZINC000520206756 1009342036 /nfs/dbraw/zinc/34/20/36/1009342036.db2.gz ILBAVPOYFNFQKV-UHFFFAOYSA-N 2 2 419.516 3.907 20 0 HHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520208001 1009342995 /nfs/dbraw/zinc/34/29/95/1009342995.db2.gz WIPVRLQBNILLSS-UHFFFAOYSA-N 2 2 421.564 3.930 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714257 1009343241 /nfs/dbraw/zinc/34/32/41/1009343241.db2.gz AHPJASYTQLVZIM-FUHWJXTLSA-N 2 2 405.612 3.571 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)n2)C1 ZINC000549714257 1009343246 /nfs/dbraw/zinc/34/32/46/1009343246.db2.gz AHPJASYTQLVZIM-FUHWJXTLSA-N 2 2 405.612 3.571 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819382 1009380204 /nfs/dbraw/zinc/38/02/04/1009380204.db2.gz VSSYMBDSJSYBTR-LGKPFJOYSA-N 2 2 407.643 3.623 20 0 HHADLP CC(C)[C@@H]1C[C@H](CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000543819382 1009380218 /nfs/dbraw/zinc/38/02/18/1009380218.db2.gz VSSYMBDSJSYBTR-LGKPFJOYSA-N 2 2 407.643 3.623 20 0 HHADLP C[C@@H](c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000520329843 1009464057 /nfs/dbraw/zinc/46/40/57/1009464057.db2.gz UWNBXXNPOHBLBY-GHTZIAJQSA-N 2 2 412.534 3.631 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543888100 1009465287 /nfs/dbraw/zinc/46/52/87/1009465287.db2.gz WKZCRQLYRCJLKE-UHFFFAOYSA-N 2 2 412.525 3.632 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543888100 1009465293 /nfs/dbraw/zinc/46/52/93/1009465293.db2.gz WKZCRQLYRCJLKE-UHFFFAOYSA-N 2 2 412.525 3.632 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941275 1009534449 /nfs/dbraw/zinc/53/44/49/1009534449.db2.gz XVVVVARYGCWOSI-ICSRJNTNSA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941275 1009534457 /nfs/dbraw/zinc/53/44/57/1009534457.db2.gz XVVVVARYGCWOSI-ICSRJNTNSA-N 2 2 424.511 3.509 20 0 HHADLP O=C1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CN1c1cccc(C(F)(F)F)c1 ZINC000544109499 1009719473 /nfs/dbraw/zinc/71/94/73/1009719473.db2.gz UPZSCXWIWFONOM-CQSZACIVSA-N 2 2 406.433 3.848 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000546871217 1009832874 /nfs/dbraw/zinc/83/28/74/1009832874.db2.gz SVOORPHYTNOEOK-QGZVFWFLSA-N 2 2 422.411 3.826 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000546871217 1009832890 /nfs/dbraw/zinc/83/28/90/1009832890.db2.gz SVOORPHYTNOEOK-QGZVFWFLSA-N 2 2 422.411 3.826 20 0 HHADLP C[C@H](CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000544235690 1009847030 /nfs/dbraw/zinc/84/70/30/1009847030.db2.gz IFVIXEZSGNXYGB-AQNXPRMDSA-N 2 2 402.583 3.682 20 0 HHADLP C[C@H](CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000544235690 1009847058 /nfs/dbraw/zinc/84/70/58/1009847058.db2.gz IFVIXEZSGNXYGB-AQNXPRMDSA-N 2 2 402.583 3.682 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892057 1009948027 /nfs/dbraw/zinc/94/80/27/1009948027.db2.gz YEJXMEBUMUPVOB-ICSRJNTNSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892057 1009948035 /nfs/dbraw/zinc/94/80/35/1009948035.db2.gz YEJXMEBUMUPVOB-ICSRJNTNSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892057 1009948048 /nfs/dbraw/zinc/94/80/48/1009948048.db2.gz YEJXMEBUMUPVOB-ICSRJNTNSA-N 2 2 417.594 3.697 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCCc3ccc(F)cc3)C2)s1 ZINC000520892057 1009948058 /nfs/dbraw/zinc/94/80/58/1009948058.db2.gz YEJXMEBUMUPVOB-ICSRJNTNSA-N 2 2 417.594 3.697 20 0 HHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000521058792 1010078983 /nfs/dbraw/zinc/07/89/83/1010078983.db2.gz BIEXKDAHLBWJFL-YLJYHZDGSA-N 2 2 417.985 3.834 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2)cc[nH+]1 ZINC000544507277 1010129320 /nfs/dbraw/zinc/12/93/20/1010129320.db2.gz LEOZJVBUDXRBTD-RTBURBONSA-N 2 2 409.578 3.885 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544508383 1010130522 /nfs/dbraw/zinc/13/05/22/1010130522.db2.gz LXQGKZTYBYFFFW-ROUUACIJSA-N 2 2 409.578 3.883 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)cc[nH+]1 ZINC000544534362 1010164792 /nfs/dbraw/zinc/16/47/92/1010164792.db2.gz RDHFMXNOTWDCPW-UHFFFAOYSA-N 2 2 415.541 3.792 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000544624511 1010248056 /nfs/dbraw/zinc/24/80/56/1010248056.db2.gz HPSQHWHSOOJPPC-IBGZPJMESA-N 2 2 400.954 3.586 20 0 HHADLP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000544624511 1010248061 /nfs/dbraw/zinc/24/80/61/1010248061.db2.gz HPSQHWHSOOJPPC-IBGZPJMESA-N 2 2 400.954 3.586 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C[NH+](C)C)c3)c2C1 ZINC000544716256 1010324929 /nfs/dbraw/zinc/32/49/29/1010324929.db2.gz BZWHMJQMMBTWPI-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(C[NH+](C)C)c3)c2C1 ZINC000544716256 1010324948 /nfs/dbraw/zinc/32/49/48/1010324948.db2.gz BZWHMJQMMBTWPI-UHFFFAOYSA-N 2 2 402.542 3.604 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155801 1010547561 /nfs/dbraw/zinc/54/75/61/1010547561.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155801 1010547570 /nfs/dbraw/zinc/54/75/70/1010547570.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155801 1010547580 /nfs/dbraw/zinc/54/75/80/1010547580.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155801 1010547587 /nfs/dbraw/zinc/54/75/87/1010547587.db2.gz FPTKCINGKTWORH-TVZXLZGTSA-N 3 2 407.602 3.908 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000548322902 1010594504 /nfs/dbraw/zinc/59/45/04/1010594504.db2.gz ISUFKQQDDUGUEX-NHCUHLMSSA-N 2 2 418.630 3.730 20 0 HHADLP CC(C)CCn1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000548322902 1010594516 /nfs/dbraw/zinc/59/45/16/1010594516.db2.gz ISUFKQQDDUGUEX-NHCUHLMSSA-N 2 2 418.630 3.730 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484503 1010642652 /nfs/dbraw/zinc/64/26/52/1010642652.db2.gz GQABLTUGRRKTJX-FCHUYYIVSA-N 2 2 418.582 3.505 20 0 HHADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484503 1010642656 /nfs/dbraw/zinc/64/26/56/1010642656.db2.gz GQABLTUGRRKTJX-FCHUYYIVSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159710 1010657593 /nfs/dbraw/zinc/65/75/93/1010657593.db2.gz YTKAVUCXMYNOPI-SFTDATJTSA-N 2 2 409.357 3.942 20 0 HHADLP COc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2cc(Cl)ccc2Cl)cc1 ZINC000545159710 1010657599 /nfs/dbraw/zinc/65/75/99/1010657599.db2.gz YTKAVUCXMYNOPI-SFTDATJTSA-N 2 2 409.357 3.942 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703251 1010749917 /nfs/dbraw/zinc/74/99/17/1010749917.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000551703251 1010749922 /nfs/dbraw/zinc/74/99/22/1010749922.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551703251 1010749924 /nfs/dbraw/zinc/74/99/24/1010749924.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 3 2 407.602 3.778 20 0 HHADLP C[C@H]([NH2+]C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551703251 1010749930 /nfs/dbraw/zinc/74/99/30/1010749930.db2.gz VNNOYZNKNFGURY-DFCKQENNSA-N 3 2 407.602 3.778 20 0 HHADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)CC2)oc1C ZINC000522064420 1010786595 /nfs/dbraw/zinc/78/65/95/1010786595.db2.gz JKIZHGOEIMZAAL-OAQYLSRUSA-N 2 2 418.969 3.576 20 0 HHADLP O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522472009 1011033369 /nfs/dbraw/zinc/03/33/69/1011033369.db2.gz UUYPJUVGIZNEKX-QHCPKHFHSA-N 2 2 409.599 3.689 20 0 HHADLP O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522472009 1011033379 /nfs/dbraw/zinc/03/33/79/1011033379.db2.gz UUYPJUVGIZNEKX-QHCPKHFHSA-N 2 2 409.599 3.689 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000540602756 1011256823 /nfs/dbraw/zinc/25/68/23/1011256823.db2.gz PINPCCQZDRQMCA-KRWDZBQOSA-N 2 2 411.493 3.863 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000540602756 1011256834 /nfs/dbraw/zinc/25/68/34/1011256834.db2.gz PINPCCQZDRQMCA-KRWDZBQOSA-N 2 2 411.493 3.863 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000536301460 1011490628 /nfs/dbraw/zinc/49/06/28/1011490628.db2.gz BUGCWXUCTKPJGQ-LJQANCHMSA-N 2 2 419.356 3.704 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380271 1011588985 /nfs/dbraw/zinc/58/89/85/1011588985.db2.gz ZOHHETMJZZMFDT-FCHUYYIVSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccccn1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380271 1011588996 /nfs/dbraw/zinc/58/89/96/1011588996.db2.gz ZOHHETMJZZMFDT-FCHUYYIVSA-N 2 2 412.965 3.825 20 0 HHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000540987354 1011619810 /nfs/dbraw/zinc/61/98/10/1011619810.db2.gz NLNHXYWQFOXGDA-JOCHJYFZSA-N 2 2 400.494 3.540 20 0 HHADLP CN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536435776 1011658360 /nfs/dbraw/zinc/65/83/60/1011658360.db2.gz GHHPYMQITWBOGA-QTJGBDASSA-N 2 2 413.606 3.600 20 0 HHADLP CN(C(=O)c1cccc([C@H]2CCOC2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536435776 1011658368 /nfs/dbraw/zinc/65/83/68/1011658368.db2.gz GHHPYMQITWBOGA-QTJGBDASSA-N 2 2 413.606 3.600 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116275 1011767007 /nfs/dbraw/zinc/76/70/07/1011767007.db2.gz PBEHWFSESNMEDK-FMEYXAORSA-N 2 2 414.516 3.515 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541116275 1011767021 /nfs/dbraw/zinc/76/70/21/1011767021.db2.gz PBEHWFSESNMEDK-FMEYXAORSA-N 2 2 414.516 3.515 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000541212214 1011883133 /nfs/dbraw/zinc/88/31/33/1011883133.db2.gz WFSOAJWYYMVIKQ-KRWDZBQOSA-N 2 2 417.513 3.728 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251243 1011933073 /nfs/dbraw/zinc/93/30/73/1011933073.db2.gz KVIKEDJHZYSRJN-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251243 1011933086 /nfs/dbraw/zinc/93/30/86/1011933086.db2.gz KVIKEDJHZYSRJN-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351772 1012065417 /nfs/dbraw/zinc/06/54/17/1012065417.db2.gz WVDVGUQEAXXOCQ-PZJWPPBQSA-N 2 2 419.491 3.556 20 0 HHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351772 1012065437 /nfs/dbraw/zinc/06/54/37/1012065437.db2.gz WVDVGUQEAXXOCQ-PZJWPPBQSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351772 1012065457 /nfs/dbraw/zinc/06/54/57/1012065457.db2.gz WVDVGUQEAXXOCQ-PZJWPPBQSA-N 2 2 419.491 3.556 20 0 HHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000541351772 1012065476 /nfs/dbraw/zinc/06/54/76/1012065476.db2.gz WVDVGUQEAXXOCQ-PZJWPPBQSA-N 2 2 419.491 3.556 20 0 HHADLP O=C(C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)NCC[NH+]1CCCCCC1 ZINC000552064309 1012082738 /nfs/dbraw/zinc/08/27/38/1012082738.db2.gz GGNRCNLSPYMZTB-UHFFFAOYSA-N 2 2 406.983 3.545 20 0 HHADLP FC(F)(F)c1cnc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000536873942 1012116238 /nfs/dbraw/zinc/11/62/38/1012116238.db2.gz BTUIJXGEXNZURG-UHFFFAOYSA-N 2 2 400.832 3.786 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552114713 1012132625 /nfs/dbraw/zinc/13/26/25/1012132625.db2.gz XLOTYTMDJQDHGK-DXBWTPJFSA-N 2 2 415.569 3.580 20 0 HHADLP CN(C(=O)C1CCC(OC(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552114713 1012132637 /nfs/dbraw/zinc/13/26/37/1012132637.db2.gz XLOTYTMDJQDHGK-DXBWTPJFSA-N 2 2 415.569 3.580 20 0 HHADLP COc1ccccc1C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000523611998 1012183196 /nfs/dbraw/zinc/18/31/96/1012183196.db2.gz NDPSJNWEDHWIJF-UHFFFAOYSA-N 2 2 407.558 3.572 20 0 HHADLP COc1ccccc1C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000523611998 1012183207 /nfs/dbraw/zinc/18/32/07/1012183207.db2.gz NDPSJNWEDHWIJF-UHFFFAOYSA-N 2 2 407.558 3.572 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000523616291 1012191133 /nfs/dbraw/zinc/19/11/33/1012191133.db2.gz QAFCGDBZCHCWGZ-IRXDYDNUSA-N 2 2 401.530 3.567 20 0 HHADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000537016563 1012316772 /nfs/dbraw/zinc/31/67/72/1012316772.db2.gz OOGBJLLLLHRDCP-MSOLQXFVSA-N 2 2 403.592 3.894 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000537023034 1012331235 /nfs/dbraw/zinc/33/12/35/1012331235.db2.gz INLCMRWQDRWVST-JOCHJYFZSA-N 2 2 415.965 3.529 20 0 HHADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552333639 1012343826 /nfs/dbraw/zinc/34/38/26/1012343826.db2.gz KOKNIZYIFADASL-KBRMVUAJSA-N 2 2 406.014 3.970 20 0 HHADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552333639 1012343843 /nfs/dbraw/zinc/34/38/43/1012343843.db2.gz KOKNIZYIFADASL-KBRMVUAJSA-N 2 2 406.014 3.970 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599880 1012393788 /nfs/dbraw/zinc/39/37/88/1012393788.db2.gz OPLUWJOAKZCUTR-CVEARBPZSA-N 2 2 421.607 3.668 20 0 HHADLP CCOC(=O)c1cc(CC)sc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599880 1012393805 /nfs/dbraw/zinc/39/38/05/1012393805.db2.gz OPLUWJOAKZCUTR-CVEARBPZSA-N 2 2 421.607 3.668 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1)C[C@H]1CCCCO1 ZINC000537118733 1012497588 /nfs/dbraw/zinc/49/75/88/1012497588.db2.gz AHYUCPYBHMZPMK-NFBKMPQASA-N 2 2 410.562 3.864 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1)C[C@H]1CCCCO1 ZINC000537118733 1012497597 /nfs/dbraw/zinc/49/75/97/1012497597.db2.gz AHYUCPYBHMZPMK-NFBKMPQASA-N 2 2 410.562 3.864 20 0 HHADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(COc4ccccc4)n3)CC2)CC1 ZINC000541759377 1012620749 /nfs/dbraw/zinc/62/07/49/1012620749.db2.gz IZAPLNHJRKZKSM-UHFFFAOYSA-N 2 2 414.619 3.572 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226543 1012656180 /nfs/dbraw/zinc/65/61/80/1012656180.db2.gz ZQBQBXDNRZYQCM-XZOQPEGZSA-N 2 2 414.594 3.999 20 0 HHADLP CC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000537226543 1012656191 /nfs/dbraw/zinc/65/61/91/1012656191.db2.gz ZQBQBXDNRZYQCM-XZOQPEGZSA-N 2 2 414.594 3.999 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801500 1012679392 /nfs/dbraw/zinc/67/93/92/1012679392.db2.gz YZOVMKGPEGCGDS-HLAWJBBLSA-N 2 2 419.491 3.775 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801500 1012679400 /nfs/dbraw/zinc/67/94/00/1012679400.db2.gz YZOVMKGPEGCGDS-HLAWJBBLSA-N 2 2 419.491 3.775 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808581 1012692664 /nfs/dbraw/zinc/69/26/64/1012692664.db2.gz ZRLRVKAIHVEKKT-LAUBAEHRSA-N 2 2 407.562 3.780 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808581 1012692673 /nfs/dbraw/zinc/69/26/73/1012692673.db2.gz ZRLRVKAIHVEKKT-LAUBAEHRSA-N 2 2 407.562 3.780 20 0 HHADLP CCC[N@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542103814 1013037336 /nfs/dbraw/zinc/03/73/36/1013037336.db2.gz JXSOASOJRKNVMQ-UHFFFAOYSA-N 2 2 409.582 3.778 20 0 HHADLP CCC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542103814 1013037357 /nfs/dbraw/zinc/03/73/57/1013037357.db2.gz JXSOASOJRKNVMQ-UHFFFAOYSA-N 2 2 409.582 3.778 20 0 HHADLP CC[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542111831 1013045051 /nfs/dbraw/zinc/04/50/51/1013045051.db2.gz STHYODQENYLDJR-XMMPIXPASA-N 2 2 423.605 3.922 20 0 HHADLP CC[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000542111831 1013045068 /nfs/dbraw/zinc/04/50/68/1013045068.db2.gz STHYODQENYLDJR-XMMPIXPASA-N 2 2 423.605 3.922 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684179 1071803104 /nfs/dbraw/zinc/80/31/04/1071803104.db2.gz KPQXUMWEDUQQEA-NUEKZKHPSA-N 2 2 412.374 3.511 20 0 HHADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684179 1071803118 /nfs/dbraw/zinc/80/31/18/1071803118.db2.gz KPQXUMWEDUQQEA-NUEKZKHPSA-N 2 2 412.374 3.511 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cc1OC ZINC000568771264 1071944750 /nfs/dbraw/zinc/94/47/50/1071944750.db2.gz OCCCWWPOPXNRPD-XJKSGUPXSA-N 2 2 412.559 3.991 20 0 HHADLP CC[C@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001687423675 1071964453 /nfs/dbraw/zinc/96/44/53/1071964453.db2.gz DBMVUXJTSWUANF-BJKOFHAPSA-N 2 2 417.557 3.930 20 0 HHADLP CC[C@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001687423675 1071964461 /nfs/dbraw/zinc/96/44/61/1071964461.db2.gz DBMVUXJTSWUANF-BJKOFHAPSA-N 2 2 417.557 3.930 20 0 HHADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001687423897 1071968935 /nfs/dbraw/zinc/96/89/35/1071968935.db2.gz ISGQWODPHYJISF-QFIPXVFZSA-N 2 2 409.509 3.537 20 0 HHADLP C[NH+](C)C1CCC([NH2+][C@@H](CCC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001168298430 1072453938 /nfs/dbraw/zinc/45/39/38/1072453938.db2.gz SQDFSFKUBCEJOL-CBNMVNINSA-N 2 2 418.578 3.683 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000586864735 1072488273 /nfs/dbraw/zinc/48/82/73/1072488273.db2.gz YKXKRQGHTOUKQU-UHFFFAOYSA-N 2 2 421.520 3.723 20 0 HHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000571408828 1072614301 /nfs/dbraw/zinc/61/43/01/1072614301.db2.gz CIANZLMEOPONDV-KDURUIRLSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000571408828 1072614321 /nfs/dbraw/zinc/61/43/21/1072614321.db2.gz CIANZLMEOPONDV-KDURUIRLSA-N 2 2 413.562 3.740 20 0 HHADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)c(F)c(F)c4)CC[C@@H]3C2)cs1 ZINC001143604700 1072956442 /nfs/dbraw/zinc/95/64/42/1072956442.db2.gz DAHUVVPRKNICSH-YLJYHZDGSA-N 2 2 407.530 3.761 20 0 HHADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cc(C)c(F)c(F)c4)CC[C@@H]3C2)cs1 ZINC001143604700 1072956490 /nfs/dbraw/zinc/95/64/90/1072956490.db2.gz DAHUVVPRKNICSH-YLJYHZDGSA-N 2 2 407.530 3.761 20 0 HHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4cc(C)c(F)c(F)c4)CC[C@@H]3C2)cs1 ZINC001143604700 1072956496 /nfs/dbraw/zinc/95/64/96/1072956496.db2.gz DAHUVVPRKNICSH-YLJYHZDGSA-N 2 2 407.530 3.761 20 0 HHADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cc(C)c(F)c(F)c4)CC[C@@H]3C2)cs1 ZINC001143604700 1072956507 /nfs/dbraw/zinc/95/65/07/1072956507.db2.gz DAHUVVPRKNICSH-YLJYHZDGSA-N 2 2 407.530 3.761 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588268467 1072979650 /nfs/dbraw/zinc/97/96/50/1072979650.db2.gz NVONMMBBDAIUNM-LJQANCHMSA-N 2 2 401.942 3.789 20 0 HHADLP C[NH+](C)CCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588720970 1073180100 /nfs/dbraw/zinc/18/01/00/1073180100.db2.gz VFMAZGDSAIRVAG-JOCHJYFZSA-N 2 2 414.981 3.708 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)NCCCCNc3cccc[nH+]3)c(C)c2)CC1 ZINC000588772139 1073202059 /nfs/dbraw/zinc/20/20/59/1073202059.db2.gz WPOVSGJWAZMMBF-UHFFFAOYSA-N 2 2 410.566 3.546 20 0 HHADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC([NH2+]C(C)C)CC3)c3ccncc3[nH+]2)CC1 ZINC000572183309 1073223238 /nfs/dbraw/zinc/22/32/38/1073223238.db2.gz JWIFEFFXGVLQAP-UHFFFAOYSA-N 3 2 410.610 3.563 20 0 HHADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000590127102 1073574388 /nfs/dbraw/zinc/57/43/88/1073574388.db2.gz OBWDRKDRKKMDGR-OFNKIYASSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000590127102 1073574396 /nfs/dbraw/zinc/57/43/96/1073574396.db2.gz OBWDRKDRKKMDGR-OFNKIYASSA-N 2 2 407.558 3.738 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555509017 1073576459 /nfs/dbraw/zinc/57/64/59/1073576459.db2.gz FRYNZABLRIHQSY-FGZHOGPDSA-N 2 2 400.611 3.511 20 0 HHADLP Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555509017 1073576465 /nfs/dbraw/zinc/57/64/65/1073576465.db2.gz FRYNZABLRIHQSY-FGZHOGPDSA-N 2 2 400.611 3.511 20 0 HHADLP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555560886 1073629910 /nfs/dbraw/zinc/62/99/10/1073629910.db2.gz SSGPDEANNHNIPQ-IFMALSPDSA-N 2 2 422.013 3.558 20 0 HHADLP CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555560886 1073629915 /nfs/dbraw/zinc/62/99/15/1073629915.db2.gz SSGPDEANNHNIPQ-IFMALSPDSA-N 2 2 422.013 3.558 20 0 HHADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000555866016 1073907967 /nfs/dbraw/zinc/90/79/67/1073907967.db2.gz CXKOYMXRJVGTOQ-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(Cl)c1Br ZINC000555866016 1073907975 /nfs/dbraw/zinc/90/79/75/1073907975.db2.gz CXKOYMXRJVGTOQ-UHFFFAOYSA-N 2 2 416.791 3.509 20 0 HHADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000573047958 1074072068 /nfs/dbraw/zinc/07/20/68/1074072068.db2.gz GEXDIWHHQPPWDZ-UHFFFAOYSA-N 2 2 413.363 3.894 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000591045199 1074089901 /nfs/dbraw/zinc/08/99/01/1074089901.db2.gz UMFKLVDHRPBFTL-HXUWFJFHSA-N 2 2 422.573 3.734 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000591045199 1074089915 /nfs/dbraw/zinc/08/99/15/1074089915.db2.gz UMFKLVDHRPBFTL-HXUWFJFHSA-N 2 2 422.573 3.734 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591522152 1074361982 /nfs/dbraw/zinc/36/19/82/1074361982.db2.gz SLZUZTAODRPLMN-VGOFRKELSA-N 2 2 414.525 3.643 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC000591523304 1074364808 /nfs/dbraw/zinc/36/48/08/1074364808.db2.gz BVAFIXLPJDJTPI-FQEVSTJZSA-N 2 2 422.573 3.997 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000591523623 1074365440 /nfs/dbraw/zinc/36/54/40/1074365440.db2.gz IQMPLKMCDSVUQM-HTAPYJJXSA-N 2 2 414.525 3.643 20 0 HHADLP CC(C)[C@@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+]1CCC(C)CC1 ZINC000591523498 1074366041 /nfs/dbraw/zinc/36/60/41/1074366041.db2.gz OYXLIUYMCQTJGE-NZQKXSOJSA-N 2 2 416.610 3.958 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000591597682 1074435257 /nfs/dbraw/zinc/43/52/57/1074435257.db2.gz FDSSGGFMWCPDDY-UHFFFAOYSA-N 2 2 417.557 3.739 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000760864747 1074461571 /nfs/dbraw/zinc/46/15/71/1074461571.db2.gz ZNGTXUHEKCAIIW-QGZVFWFLSA-N 2 2 422.411 3.826 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592486904 1074768133 /nfs/dbraw/zinc/76/81/33/1074768133.db2.gz FMAGODBLWDOXJK-OXJNMPFZSA-N 2 2 422.976 3.932 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592486904 1074768141 /nfs/dbraw/zinc/76/81/41/1074768141.db2.gz FMAGODBLWDOXJK-OXJNMPFZSA-N 2 2 422.976 3.932 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000760991569 1075095418 /nfs/dbraw/zinc/09/54/18/1075095418.db2.gz ZJMRLSXLTRIKAK-OAQYLSRUSA-N 2 2 404.514 3.643 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000760991569 1075095419 /nfs/dbraw/zinc/09/54/19/1075095419.db2.gz ZJMRLSXLTRIKAK-OAQYLSRUSA-N 2 2 404.514 3.643 20 0 HHADLP Cc1nc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1Cc1ccccc1 ZINC000669471623 1075162864 /nfs/dbraw/zinc/16/28/64/1075162864.db2.gz GEDTZMAZOBTYCF-UHFFFAOYSA-N 2 2 415.607 3.532 20 0 HHADLP Cc1nc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1Cc1ccccc1 ZINC000669471623 1075162866 /nfs/dbraw/zinc/16/28/66/1075162866.db2.gz GEDTZMAZOBTYCF-UHFFFAOYSA-N 2 2 415.607 3.532 20 0 HHADLP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000761128493 1075502538 /nfs/dbraw/zinc/50/25/38/1075502538.db2.gz WAHBVIFJCDZMOX-HXUWFJFHSA-N 2 2 400.611 3.629 20 0 HHADLP CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472327 1075617806 /nfs/dbraw/zinc/61/78/06/1075617806.db2.gz JNMMMXIEWFXHKG-HXUWFJFHSA-N 2 2 408.590 3.677 20 0 HHADLP CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472327 1075617815 /nfs/dbraw/zinc/61/78/15/1075617815.db2.gz JNMMMXIEWFXHKG-HXUWFJFHSA-N 2 2 408.590 3.677 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474073 1075618779 /nfs/dbraw/zinc/61/87/79/1075618779.db2.gz LMTRTYDUVMGSBZ-KNQAVFIVSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474073 1075618782 /nfs/dbraw/zinc/61/87/82/1075618782.db2.gz LMTRTYDUVMGSBZ-KNQAVFIVSA-N 2 2 401.595 3.513 20 0 HHADLP Cc1cc(C)c(C(=O)CCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000601477353 1075619750 /nfs/dbraw/zinc/61/97/50/1075619750.db2.gz QZDSNBOSYGBPNA-QFIPXVFZSA-N 2 2 413.606 3.592 20 0 HHADLP Cc1cc(C)c(C(=O)CCCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000601477353 1075619752 /nfs/dbraw/zinc/61/97/52/1075619752.db2.gz QZDSNBOSYGBPNA-QFIPXVFZSA-N 2 2 413.606 3.592 20 0 HHADLP CN(C(=O)C1(c2cccc(Cl)c2)CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477777 1075620431 /nfs/dbraw/zinc/62/04/31/1075620431.db2.gz UKXVGUUJMAYOIM-OAQYLSRUSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)C1(c2cccc(Cl)c2)CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477777 1075620434 /nfs/dbraw/zinc/62/04/34/1075620434.db2.gz UKXVGUUJMAYOIM-OAQYLSRUSA-N 2 2 403.998 3.779 20 0 HHADLP Cc1ccc(-n2ncc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C(C)C)cc1 ZINC000601478154 1075620591 /nfs/dbraw/zinc/62/05/91/1075620591.db2.gz WRPRWVRMAQMSDD-JOCHJYFZSA-N 2 2 423.605 3.545 20 0 HHADLP Cc1ccc(-n2ncc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C(C)C)cc1 ZINC000601478154 1075620595 /nfs/dbraw/zinc/62/05/95/1075620595.db2.gz WRPRWVRMAQMSDD-JOCHJYFZSA-N 2 2 423.605 3.545 20 0 HHADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@@H]4CC[N@@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479431 1075621004 /nfs/dbraw/zinc/62/10/04/1075621004.db2.gz YZOKLNCQNHFJNE-YLJYHZDGSA-N 2 2 408.590 3.533 20 0 HHADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@@H]4CC[N@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479431 1075621008 /nfs/dbraw/zinc/62/10/08/1075621008.db2.gz YZOKLNCQNHFJNE-YLJYHZDGSA-N 2 2 408.590 3.533 20 0 HHADLP Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478577 1075621444 /nfs/dbraw/zinc/62/14/44/1075621444.db2.gz OFNHYESCXYUAOK-KRWDZBQOSA-N 2 2 416.953 3.544 20 0 HHADLP Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478577 1075621447 /nfs/dbraw/zinc/62/14/47/1075621447.db2.gz OFNHYESCXYUAOK-KRWDZBQOSA-N 2 2 416.953 3.544 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201143 1075717202 /nfs/dbraw/zinc/71/72/02/1075717202.db2.gz JFQHZEMEJJHQHP-RDGATRHJSA-N 2 2 421.585 3.654 20 0 HHADLP CCc1ccccc1O[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602201143 1075717204 /nfs/dbraw/zinc/71/72/04/1075717204.db2.gz JFQHZEMEJJHQHP-RDGATRHJSA-N 2 2 421.585 3.654 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628438 719110307 /nfs/dbraw/zinc/11/03/07/719110307.db2.gz MVOXFYPACPWBOG-QPPBQGQZSA-N 3 2 406.574 3.655 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)CC1 ZINC001164628438 719110315 /nfs/dbraw/zinc/11/03/15/719110315.db2.gz MVOXFYPACPWBOG-QPPBQGQZSA-N 3 2 406.574 3.655 20 0 HHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)cs1 ZINC001164691305 719813145 /nfs/dbraw/zinc/81/31/45/719813145.db2.gz FIOIFEBBXHRTKG-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)cs1 ZINC001164691305 719813146 /nfs/dbraw/zinc/81/31/46/719813146.db2.gz FIOIFEBBXHRTKG-UHFFFAOYSA-N 2 2 412.607 3.867 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164725511 720317199 /nfs/dbraw/zinc/31/71/99/720317199.db2.gz WKWAMUQUZWHGPG-IRLDBZIGSA-N 2 2 424.593 3.646 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164725511 720317202 /nfs/dbraw/zinc/31/72/02/720317202.db2.gz WKWAMUQUZWHGPG-IRLDBZIGSA-N 2 2 424.593 3.646 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1NC(C)C ZINC001164843731 720655012 /nfs/dbraw/zinc/65/50/12/720655012.db2.gz XHZGUUDGENSXOA-OAQYLSRUSA-N 2 2 409.578 3.865 20 0 HHADLP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1NC(C)C ZINC001164843731 720655039 /nfs/dbraw/zinc/65/50/39/720655039.db2.gz XHZGUUDGENSXOA-OAQYLSRUSA-N 2 2 409.578 3.865 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757214 720899982 /nfs/dbraw/zinc/89/99/82/720899982.db2.gz UJYPXJCPNLGACL-WIOPSUGQSA-N 2 2 422.573 3.549 20 0 HHADLP COc1cc(C)c[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757214 720899985 /nfs/dbraw/zinc/89/99/85/720899985.db2.gz UJYPXJCPNLGACL-WIOPSUGQSA-N 2 2 422.573 3.549 20 0 HHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)CC2)cc1 ZINC001164763141 721041895 /nfs/dbraw/zinc/04/18/95/721041895.db2.gz KKETWAIKNXSGGT-UHFFFAOYSA-N 2 2 421.589 3.504 20 0 HHADLP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)CC2)cc1 ZINC001164763141 721041903 /nfs/dbraw/zinc/04/19/03/721041903.db2.gz KKETWAIKNXSGGT-UHFFFAOYSA-N 2 2 421.589 3.504 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029630 721811094 /nfs/dbraw/zinc/81/10/94/721811094.db2.gz ZWJRZTWQBKSXCV-JBACZVJFSA-N 2 2 408.546 3.617 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165029630 721811095 /nfs/dbraw/zinc/81/10/95/721811095.db2.gz ZWJRZTWQBKSXCV-JBACZVJFSA-N 2 2 408.546 3.617 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939372 721926076 /nfs/dbraw/zinc/92/60/76/721926076.db2.gz KORBZBKJMDIHSU-UHFFFAOYSA-N 2 2 423.557 3.665 20 0 HHADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939372 721926077 /nfs/dbraw/zinc/92/60/77/721926077.db2.gz KORBZBKJMDIHSU-UHFFFAOYSA-N 2 2 423.557 3.665 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1cccc(N2CCCC2)c1 ZINC000553075415 1013047561 /nfs/dbraw/zinc/04/75/61/1013047561.db2.gz LASRJSRBFUAUQM-QGZVFWFLSA-N 2 2 413.591 3.628 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301259627 970838171 /nfs/dbraw/zinc/83/81/71/970838171.db2.gz RSYRXLBHFVWHKC-VQTJNVASSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301259627 970838191 /nfs/dbraw/zinc/83/81/91/970838191.db2.gz RSYRXLBHFVWHKC-VQTJNVASSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301259627 970838200 /nfs/dbraw/zinc/83/82/00/970838200.db2.gz RSYRXLBHFVWHKC-VQTJNVASSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301259627 970838203 /nfs/dbraw/zinc/83/82/03/970838203.db2.gz RSYRXLBHFVWHKC-VQTJNVASSA-N 2 2 409.578 3.672 20 0 HHADLP CCc1cc(N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301797653 971069050 /nfs/dbraw/zinc/06/90/50/971069050.db2.gz QRGFIKTZMFQAHT-LJQANCHMSA-N 2 2 418.545 3.505 20 0 HHADLP CCc1cc(N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc2[nH+]1 ZINC000301797653 971069059 /nfs/dbraw/zinc/06/90/59/971069059.db2.gz QRGFIKTZMFQAHT-LJQANCHMSA-N 2 2 418.545 3.505 20 0 HHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc4nnc(C(F)F)n4n3)cc2)CC1 ZINC000301948150 971129330 /nfs/dbraw/zinc/12/93/30/971129330.db2.gz DQJPHYMCHFCKNK-UHFFFAOYSA-N 2 2 401.465 3.584 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302902836 971382572 /nfs/dbraw/zinc/38/25/72/971382572.db2.gz RCQRSYIMCUPLAG-RTWAWAEBSA-N 2 2 409.603 3.521 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cc1 ZINC000302902836 971382578 /nfs/dbraw/zinc/38/25/78/971382578.db2.gz RCQRSYIMCUPLAG-RTWAWAEBSA-N 2 2 409.603 3.521 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732799 971985291 /nfs/dbraw/zinc/98/52/91/971985291.db2.gz FHDCSEAWUBLGMT-IFMALSPDSA-N 2 2 407.558 3.644 20 0 HHADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303732799 971985298 /nfs/dbraw/zinc/98/52/98/971985298.db2.gz FHDCSEAWUBLGMT-IFMALSPDSA-N 2 2 407.558 3.644 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000537583757 1013122595 /nfs/dbraw/zinc/12/25/95/1013122595.db2.gz LFICIOYMNZFNTJ-RTBURBONSA-N 2 2 403.530 3.675 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCC1 ZINC000553177958 1013137126 /nfs/dbraw/zinc/13/71/26/1013137126.db2.gz WLNNSNNEPLSWRY-FGZHOGPDSA-N 2 2 418.541 3.894 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000537616147 1013157194 /nfs/dbraw/zinc/15/71/94/1013157194.db2.gz ISXCBGDLQRLEKW-QGZVFWFLSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000537616147 1013157202 /nfs/dbraw/zinc/15/72/02/1013157202.db2.gz ISXCBGDLQRLEKW-QGZVFWFLSA-N 2 2 403.368 3.861 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621040 1013165628 /nfs/dbraw/zinc/16/56/28/1013165628.db2.gz RRDLDRLLUXUKJP-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621040 1013165639 /nfs/dbraw/zinc/16/56/39/1013165639.db2.gz RRDLDRLLUXUKJP-UHFFFAOYSA-N 3 2 409.622 3.809 20 0 HHADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCN1c1ccc(OC(F)F)cc1 ZINC000542315031 1013271785 /nfs/dbraw/zinc/27/17/85/1013271785.db2.gz BLVJEJWOJYCTIA-GOSISDBHSA-N 2 2 418.469 3.820 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccsc1 ZINC000542328667 1013284511 /nfs/dbraw/zinc/28/45/11/1013284511.db2.gz ZCINKJIVRFERRN-PXNSSMCTSA-N 2 2 400.592 3.974 20 0 HHADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542446442 1013395835 /nfs/dbraw/zinc/39/58/35/1013395835.db2.gz QBGQXTXFHBYBIT-NRFANRHFSA-N 2 2 421.589 3.669 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000048965394 964099190 /nfs/dbraw/zinc/09/91/90/964099190.db2.gz USDIGSAWBZCXNO-OAQYLSRUSA-N 2 2 411.575 3.875 20 0 HHADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)s1 ZINC000542533027 1013477061 /nfs/dbraw/zinc/47/70/61/1013477061.db2.gz NESOARFZSHFWOG-QGZVFWFLSA-N 2 2 415.607 3.586 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000542532507 1013476104 /nfs/dbraw/zinc/47/61/04/1013476104.db2.gz IZMQRPLEBZXRRA-CVEARBPZSA-N 2 2 416.591 3.876 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000542532507 1013476108 /nfs/dbraw/zinc/47/61/08/1013476108.db2.gz IZMQRPLEBZXRRA-CVEARBPZSA-N 2 2 416.591 3.876 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507679 964288753 /nfs/dbraw/zinc/28/87/53/964288753.db2.gz YUAHAQQNKYWALC-NRFANRHFSA-N 2 2 421.585 3.801 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000050802390 964401590 /nfs/dbraw/zinc/40/15/90/964401590.db2.gz YHDXGHMLWDAAFS-UHFFFAOYSA-N 2 2 405.586 3.883 20 0 HHADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nc(C)cs1 ZINC000542555836 1013498229 /nfs/dbraw/zinc/49/82/29/1013498229.db2.gz HKKIRGSDYQECAM-QFIPXVFZSA-N 2 2 422.598 3.990 20 0 HHADLP Cc1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1-c1ccccc1 ZINC000051235911 964502865 /nfs/dbraw/zinc/50/28/65/964502865.db2.gz ZSFYRAITRIRHDJ-UHFFFAOYSA-N 2 2 413.591 3.799 20 0 HHADLP CN(Cc1csc2ccccc12)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759976 964689892 /nfs/dbraw/zinc/68/98/92/964689892.db2.gz CPSNKLBYNPPBCQ-UHFFFAOYSA-N 2 2 400.592 3.601 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)Cn2cc(Br)cn2)c(C)c1 ZINC000537951922 1013532913 /nfs/dbraw/zinc/53/29/13/1013532913.db2.gz JIMSZXKQCWMRRG-QFBILLFUSA-N 2 2 402.340 3.879 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960200 1013539943 /nfs/dbraw/zinc/53/99/43/1013539943.db2.gz MUOPWBXSSDQARV-HMFYCAOWSA-N 2 2 421.507 3.752 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537960200 1013539953 /nfs/dbraw/zinc/53/99/53/1013539953.db2.gz MUOPWBXSSDQARV-HMFYCAOWSA-N 2 2 421.507 3.752 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000052928069 965023349 /nfs/dbraw/zinc/02/33/49/965023349.db2.gz VZKZWBBQXUAGDB-OAQYLSRUSA-N 2 2 401.576 3.532 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2cccs2)[NH+]2CCCCC2)cc1 ZINC000052928069 965023362 /nfs/dbraw/zinc/02/33/62/965023362.db2.gz VZKZWBBQXUAGDB-OAQYLSRUSA-N 2 2 401.576 3.532 20 0 HHADLP CC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1cccs1 ZINC000057600798 965504922 /nfs/dbraw/zinc/50/49/22/965504922.db2.gz AEAJZLDAWFPFHO-QFIPXVFZSA-N 2 2 415.603 3.922 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)Cc1cccs1 ZINC000057600798 965504930 /nfs/dbraw/zinc/50/49/30/965504930.db2.gz AEAJZLDAWFPFHO-QFIPXVFZSA-N 2 2 415.603 3.922 20 0 HHADLP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000060335598 966095141 /nfs/dbraw/zinc/09/51/41/966095141.db2.gz VXHGAWBVIFUHLK-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000060335598 966095154 /nfs/dbraw/zinc/09/51/54/966095154.db2.gz VXHGAWBVIFUHLK-RUZDIDTESA-N 2 2 420.601 3.817 20 0 HHADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061036921 966357561 /nfs/dbraw/zinc/35/75/61/966357561.db2.gz OKGFCVPVOINELE-UHFFFAOYSA-N 2 2 418.632 3.549 20 0 HHADLP Brc1csc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000056494153 966358392 /nfs/dbraw/zinc/35/83/92/966358392.db2.gz SEEDSZUALTVJCN-UHFFFAOYSA-N 2 2 411.369 3.868 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000056629159 966401625 /nfs/dbraw/zinc/40/16/25/966401625.db2.gz JBIBRAIFEAHTSI-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000056629159 966401631 /nfs/dbraw/zinc/40/16/31/966401631.db2.gz JBIBRAIFEAHTSI-BGYRXZFFSA-N 2 2 416.610 3.882 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000041479166 966572588 /nfs/dbraw/zinc/57/25/88/966572588.db2.gz ACDIIZMYKFVROX-UHFFFAOYSA-N 2 2 417.557 3.513 20 0 HHADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000062505513 966693552 /nfs/dbraw/zinc/69/35/52/966693552.db2.gz TYNIHHGTAVXUOR-KRWDZBQOSA-N 2 2 418.582 3.722 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000042813053 966852246 /nfs/dbraw/zinc/85/22/46/966852246.db2.gz DWZTWBIDHUXNTB-QHCPKHFHSA-N 2 2 403.530 3.568 20 0 HHADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000538119581 1013681936 /nfs/dbraw/zinc/68/19/36/1013681936.db2.gz CKROXYBEILHMRB-GOSISDBHSA-N 2 2 409.559 3.920 20 0 HHADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000538119581 1013681943 /nfs/dbraw/zinc/68/19/43/1013681943.db2.gz CKROXYBEILHMRB-GOSISDBHSA-N 2 2 409.559 3.920 20 0 HHADLP C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908959 1013693392 /nfs/dbraw/zinc/69/33/92/1013693392.db2.gz CLGYBUUYCHSWRO-AVRDEDQJSA-N 2 2 410.587 3.652 20 0 HHADLP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000553908959 1013693397 /nfs/dbraw/zinc/69/33/97/1013693397.db2.gz CLGYBUUYCHSWRO-AVRDEDQJSA-N 2 2 410.587 3.652 20 0 HHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043993569 967089210 /nfs/dbraw/zinc/08/92/10/967089210.db2.gz YTPRIDGSCRISJQ-UHFFFAOYSA-N 2 2 416.591 3.818 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644097 967257620 /nfs/dbraw/zinc/25/76/20/967257620.db2.gz OVTZGYKURZLGSN-NRFANRHFSA-N 2 2 423.586 3.704 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644097 967257632 /nfs/dbraw/zinc/25/76/32/967257632.db2.gz OVTZGYKURZLGSN-NRFANRHFSA-N 2 2 423.586 3.704 20 0 HHADLP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000045463518 967468779 /nfs/dbraw/zinc/46/87/79/967468779.db2.gz MQATWTYIIWEIOC-OALUTQOASA-N 2 2 402.583 3.538 20 0 HHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000045986561 967620749 /nfs/dbraw/zinc/62/07/49/967620749.db2.gz BHBRBZGMJWRUNF-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196459 1013752859 /nfs/dbraw/zinc/75/28/59/1013752859.db2.gz IKONKFZGHAICTA-BKMJKUGQSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196459 1013752865 /nfs/dbraw/zinc/75/28/65/1013752865.db2.gz IKONKFZGHAICTA-BKMJKUGQSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1cn(-c2ccccc2)nn1 ZINC000538290802 1013826564 /nfs/dbraw/zinc/82/65/64/1013826564.db2.gz MTVXTBPWQRROLI-WIYYLYMNSA-N 2 2 403.530 3.906 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000554208627 1013852858 /nfs/dbraw/zinc/85/28/58/1013852858.db2.gz OITWKLVYWOYBQD-UEXGIBASSA-N 2 2 414.550 3.924 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868531 969309170 /nfs/dbraw/zinc/30/91/70/969309170.db2.gz UXDICXRRXNNVHY-UONOGXRCSA-N 2 2 418.173 3.937 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868531 969309175 /nfs/dbraw/zinc/30/91/75/969309175.db2.gz UXDICXRRXNNVHY-UONOGXRCSA-N 2 2 418.173 3.937 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1)C(C)C ZINC000110121589 969626076 /nfs/dbraw/zinc/62/60/76/969626076.db2.gz GKOUAPZMGPDJAO-UHFFFAOYSA-N 2 2 409.574 3.754 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1)C(C)C ZINC000110121589 969626080 /nfs/dbraw/zinc/62/60/80/969626080.db2.gz GKOUAPZMGPDJAO-UHFFFAOYSA-N 2 2 409.574 3.754 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000138600345 970004185 /nfs/dbraw/zinc/00/41/85/970004185.db2.gz UCEVZRHRAWRBDK-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000138600345 970004191 /nfs/dbraw/zinc/00/41/91/970004191.db2.gz UCEVZRHRAWRBDK-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP CCCOc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000216003828 970060352 /nfs/dbraw/zinc/06/03/52/970060352.db2.gz VFZFOAXZLGVSJR-UHFFFAOYSA-N 2 2 408.974 3.809 20 0 HHADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OCc1ccccc1 ZINC000216164711 970064738 /nfs/dbraw/zinc/06/47/38/970064738.db2.gz SOHRQSSDQQEMKE-UHFFFAOYSA-N 2 2 423.601 3.878 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000554461333 1013957604 /nfs/dbraw/zinc/95/76/04/1013957604.db2.gz ABVMNJYWBVUJAB-KFKAGJAMSA-N 2 2 406.958 3.964 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237023589 970208547 /nfs/dbraw/zinc/20/85/47/970208547.db2.gz INAXQMMHEHNJLI-SFHVURJKSA-N 2 2 412.559 3.589 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237023589 970208552 /nfs/dbraw/zinc/20/85/52/970208552.db2.gz INAXQMMHEHNJLI-SFHVURJKSA-N 2 2 412.559 3.589 20 0 HHADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000237197420 970239601 /nfs/dbraw/zinc/23/96/01/970239601.db2.gz BZQCAOLOKNGBRF-UHFFFAOYSA-N 2 2 407.299 3.641 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000237285974 970255843 /nfs/dbraw/zinc/25/58/43/970255843.db2.gz LUHPSKWPPIKEQQ-GCJKJVERSA-N 2 2 411.546 3.848 20 0 HHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@@H](C)C3)[nH+]c12 ZINC000261391139 970645627 /nfs/dbraw/zinc/64/56/27/970645627.db2.gz RKJWAXDNCJSVCC-RTBURBONSA-N 2 2 404.558 3.980 20 0 HHADLP C[NH+](C)CCn1cc(Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)cn1 ZINC000301066489 970730627 /nfs/dbraw/zinc/73/06/27/970730627.db2.gz APASTIRZOVSEMG-UHFFFAOYSA-N 2 2 421.574 3.922 20 0 HHADLP Cc1cccc(OCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000303964680 972550027 /nfs/dbraw/zinc/55/00/27/972550027.db2.gz PITZKZQETJAMGH-UHFFFAOYSA-N 2 2 401.595 3.611 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390666143 972827625 /nfs/dbraw/zinc/82/76/25/972827625.db2.gz MVQQJLQZJAMJDO-FKBYEOEOSA-N 2 2 417.594 3.561 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390666143 972827638 /nfs/dbraw/zinc/82/76/38/972827638.db2.gz MVQQJLQZJAMJDO-FKBYEOEOSA-N 2 2 417.594 3.561 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005175 972874762 /nfs/dbraw/zinc/87/47/62/972874762.db2.gz YQQSWJMMPYZAGX-LPHOPBHVSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005175 972874774 /nfs/dbraw/zinc/87/47/74/972874774.db2.gz YQQSWJMMPYZAGX-LPHOPBHVSA-N 2 2 416.363 3.888 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000554841177 1014070301 /nfs/dbraw/zinc/07/03/01/1014070301.db2.gz VEPYKSISQDDQFF-OALUTQOASA-N 2 2 411.512 3.678 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000554841177 1014070305 /nfs/dbraw/zinc/07/03/05/1014070305.db2.gz VEPYKSISQDDQFF-OALUTQOASA-N 2 2 411.512 3.678 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000554840872 1014070510 /nfs/dbraw/zinc/07/05/10/1014070510.db2.gz GANMDSULOUDBMJ-IBGZPJMESA-N 2 2 409.559 3.520 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000554840872 1014070512 /nfs/dbraw/zinc/07/05/12/1014070512.db2.gz GANMDSULOUDBMJ-IBGZPJMESA-N 2 2 409.559 3.520 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000410348290 973936430 /nfs/dbraw/zinc/93/64/30/973936430.db2.gz WELOBZDPKAVPDL-FQEVSTJZSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000410348290 973936440 /nfs/dbraw/zinc/93/64/40/973936440.db2.gz WELOBZDPKAVPDL-FQEVSTJZSA-N 2 2 421.589 3.924 20 0 HHADLP CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000425985642 974097214 /nfs/dbraw/zinc/09/72/14/974097214.db2.gz SEPNHCUOCOHVCZ-OAHLLOKOSA-N 2 2 411.472 3.815 20 0 HHADLP CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)CCC(F)(F)F ZINC000425985642 974097238 /nfs/dbraw/zinc/09/72/38/974097238.db2.gz SEPNHCUOCOHVCZ-OAHLLOKOSA-N 2 2 411.472 3.815 20 0 HHADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987471 974099075 /nfs/dbraw/zinc/09/90/75/974099075.db2.gz ZTSLDYMQWGCCFH-HSZRJFAPSA-N 2 2 416.949 3.570 20 0 HHADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987471 974099086 /nfs/dbraw/zinc/09/90/86/974099086.db2.gz ZTSLDYMQWGCCFH-HSZRJFAPSA-N 2 2 416.949 3.570 20 0 HHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987471 974099089 /nfs/dbraw/zinc/09/90/89/974099089.db2.gz ZTSLDYMQWGCCFH-HSZRJFAPSA-N 2 2 416.949 3.570 20 0 HHADLP C[NH+](Cc1cc(Cl)c2c(c1)OCCCO2)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987471 974099098 /nfs/dbraw/zinc/09/90/98/974099098.db2.gz ZTSLDYMQWGCCFH-HSZRJFAPSA-N 2 2 416.949 3.570 20 0 HHADLP C[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988848 974100748 /nfs/dbraw/zinc/10/07/48/974100748.db2.gz PQUGZIZGIMIMST-XZOQPEGZSA-N 2 2 403.530 3.543 20 0 HHADLP C[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)Cc1ccccc1 ZINC000425988848 974100752 /nfs/dbraw/zinc/10/07/52/974100752.db2.gz PQUGZIZGIMIMST-XZOQPEGZSA-N 2 2 403.530 3.543 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426025939 974146257 /nfs/dbraw/zinc/14/62/57/974146257.db2.gz XGGIHTSBDPVXHK-YCADQPJXSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426025939 974146266 /nfs/dbraw/zinc/14/62/66/974146266.db2.gz XGGIHTSBDPVXHK-YCADQPJXSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426025937 974146378 /nfs/dbraw/zinc/14/63/78/974146378.db2.gz XGGIHTSBDPVXHK-NCIMPECQSA-N 2 2 409.578 3.777 20 0 HHADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426025937 974146381 /nfs/dbraw/zinc/14/63/81/974146381.db2.gz XGGIHTSBDPVXHK-NCIMPECQSA-N 2 2 409.578 3.777 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC000426030935 974152314 /nfs/dbraw/zinc/15/23/14/974152314.db2.gz WCRGCWLOHNDOTQ-DNVJHFABSA-N 2 2 421.520 3.853 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426047397 974168973 /nfs/dbraw/zinc/16/89/73/974168973.db2.gz GEKSKRLYRMZALN-IYRWYFENSA-N 2 2 409.578 3.779 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426047397 974168976 /nfs/dbraw/zinc/16/89/76/974168976.db2.gz GEKSKRLYRMZALN-IYRWYFENSA-N 2 2 409.578 3.779 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccccc1 ZINC000426234417 974330935 /nfs/dbraw/zinc/33/09/35/974330935.db2.gz BBTLNADGYWIUHV-ZRBLBEILSA-N 2 2 403.530 3.714 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426249609 974344153 /nfs/dbraw/zinc/34/41/53/974344153.db2.gz QOFFHPSVPGBEBM-GMKZXUHWSA-N 2 2 415.541 3.685 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426249609 974344157 /nfs/dbraw/zinc/34/41/57/974344157.db2.gz QOFFHPSVPGBEBM-GMKZXUHWSA-N 2 2 415.541 3.685 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426829145 974694836 /nfs/dbraw/zinc/69/48/36/974694836.db2.gz NOQOYEFOHKTLAR-ZACQAIPSSA-N 2 2 409.521 3.503 20 0 HHADLP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427017932 974829727 /nfs/dbraw/zinc/82/97/27/974829727.db2.gz VXNKXTDANGHFDM-UHFFFAOYSA-N 2 2 423.479 3.998 20 0 HHADLP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427017932 974829732 /nfs/dbraw/zinc/82/97/32/974829732.db2.gz VXNKXTDANGHFDM-UHFFFAOYSA-N 2 2 423.479 3.998 20 0 HHADLP Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CCC2)cc1 ZINC000427699343 975243354 /nfs/dbraw/zinc/24/33/54/975243354.db2.gz UIKRDTAYQQEPTK-DHLKQENFSA-N 2 2 421.589 3.721 20 0 HHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCS2 ZINC000427708050 975246230 /nfs/dbraw/zinc/24/62/30/975246230.db2.gz VNVDUXBWXPRZKO-HXUWFJFHSA-N 2 2 410.587 3.564 20 0 HHADLP CCc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427852959 975322218 /nfs/dbraw/zinc/32/22/18/975322218.db2.gz GKUUWIUXQXISGN-OFNKIYASSA-N 2 2 409.555 3.543 20 0 HHADLP CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(Cl)cc2)c1 ZINC000427880733 975331494 /nfs/dbraw/zinc/33/14/94/975331494.db2.gz GURAMESHHQEHSP-NQIIRXRSSA-N 2 2 415.946 3.634 20 0 HHADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000427889264 975334311 /nfs/dbraw/zinc/33/43/11/975334311.db2.gz WADRVHPQMHUZJG-CVDCTZTESA-N 2 2 409.555 3.597 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894171 975336221 /nfs/dbraw/zinc/33/62/21/975336221.db2.gz KKZFGUCJCLENMA-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000427894171 975336227 /nfs/dbraw/zinc/33/62/27/975336227.db2.gz KKZFGUCJCLENMA-GCJKJVERSA-N 2 2 401.576 3.763 20 0 HHADLP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437247 975750080 /nfs/dbraw/zinc/75/00/80/975750080.db2.gz HKHVLQXDJCIGEF-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437247 975750089 /nfs/dbraw/zinc/75/00/89/975750089.db2.gz HKHVLQXDJCIGEF-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428437247 975750098 /nfs/dbraw/zinc/75/00/98/975750098.db2.gz HKHVLQXDJCIGEF-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428437247 975750106 /nfs/dbraw/zinc/75/01/06/975750106.db2.gz HKHVLQXDJCIGEF-AREMUKBSSA-N 2 2 417.553 3.729 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000428503102 975799448 /nfs/dbraw/zinc/79/94/48/975799448.db2.gz LVLUNWMTYFFYBI-KNQAVFIVSA-N 2 2 403.530 3.725 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000428503102 975799461 /nfs/dbraw/zinc/79/94/61/975799461.db2.gz LVLUNWMTYFFYBI-KNQAVFIVSA-N 2 2 403.530 3.725 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000428574807 975887194 /nfs/dbraw/zinc/88/71/94/975887194.db2.gz SCHAODICTRAFEX-UHFFFAOYSA-N 2 2 411.594 3.779 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000428587235 975898166 /nfs/dbraw/zinc/89/81/66/975898166.db2.gz ILSCWHXYNYZBHF-JOCHJYFZSA-N 2 2 423.605 3.834 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000428587235 975898176 /nfs/dbraw/zinc/89/81/76/975898176.db2.gz ILSCWHXYNYZBHF-JOCHJYFZSA-N 2 2 423.605 3.834 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000428615828 975921634 /nfs/dbraw/zinc/92/16/34/975921634.db2.gz GXLOVJSBRGCLFV-JXFKEZNVSA-N 2 2 401.580 3.505 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000428615828 975921637 /nfs/dbraw/zinc/92/16/37/975921637.db2.gz GXLOVJSBRGCLFV-JXFKEZNVSA-N 2 2 401.580 3.505 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000428701480 975993062 /nfs/dbraw/zinc/99/30/62/975993062.db2.gz OUGOZDILKQVKGX-UHFFFAOYSA-N 2 2 412.582 3.532 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428814295 976093622 /nfs/dbraw/zinc/09/36/22/976093622.db2.gz GFSKPNCVOIMBSF-UNMCSNQZSA-N 2 2 411.594 3.920 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428814295 976093631 /nfs/dbraw/zinc/09/36/31/976093631.db2.gz GFSKPNCVOIMBSF-UNMCSNQZSA-N 2 2 411.594 3.920 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000428910569 976212397 /nfs/dbraw/zinc/21/23/97/976212397.db2.gz YWSPEWHLHCANOZ-UHFFFAOYSA-N 2 2 424.549 3.636 20 0 HHADLP CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428941743 976238752 /nfs/dbraw/zinc/23/87/52/976238752.db2.gz WSSDNCHCRMBFQL-NRFANRHFSA-N 2 2 408.612 3.595 20 0 HHADLP CCC[C@@]1(COC)CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428941743 976238763 /nfs/dbraw/zinc/23/87/63/976238763.db2.gz WSSDNCHCRMBFQL-NRFANRHFSA-N 2 2 408.612 3.595 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000429007959 976289175 /nfs/dbraw/zinc/28/91/75/976289175.db2.gz MRFKIYWJBBPWNL-CTNGQTDRSA-N 2 2 409.578 3.662 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1Cc1ccccc1 ZINC000429007959 976289184 /nfs/dbraw/zinc/28/91/84/976289184.db2.gz MRFKIYWJBBPWNL-CTNGQTDRSA-N 2 2 409.578 3.662 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000429016024 976297348 /nfs/dbraw/zinc/29/73/48/976297348.db2.gz AKQGXWLSFGRNDS-GHTZIAJQSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000429016024 976297358 /nfs/dbraw/zinc/29/73/58/976297358.db2.gz AKQGXWLSFGRNDS-GHTZIAJQSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016024 976297366 /nfs/dbraw/zinc/29/73/66/976297366.db2.gz AKQGXWLSFGRNDS-GHTZIAJQSA-N 2 2 420.395 3.589 20 0 HHADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000429016024 976297371 /nfs/dbraw/zinc/29/73/71/976297371.db2.gz AKQGXWLSFGRNDS-GHTZIAJQSA-N 2 2 420.395 3.589 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000429254722 976543065 /nfs/dbraw/zinc/54/30/65/976543065.db2.gz QZHBPMJAVMMIIH-UHFFFAOYSA-N 2 2 422.577 3.907 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000429254722 976543082 /nfs/dbraw/zinc/54/30/82/976543082.db2.gz QZHBPMJAVMMIIH-UHFFFAOYSA-N 2 2 422.577 3.907 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429427851 976705520 /nfs/dbraw/zinc/70/55/20/976705520.db2.gz INLDEJOVGKJIST-MNVNNWCQSA-N 2 2 411.565 3.795 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429427851 976705530 /nfs/dbraw/zinc/70/55/30/976705530.db2.gz INLDEJOVGKJIST-MNVNNWCQSA-N 2 2 411.565 3.795 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797370 977073411 /nfs/dbraw/zinc/07/34/11/977073411.db2.gz BCQURCTZCAQRAG-AJSBUHFISA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797370 977073421 /nfs/dbraw/zinc/07/34/21/977073421.db2.gz BCQURCTZCAQRAG-AJSBUHFISA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797370 977073423 /nfs/dbraw/zinc/07/34/23/977073423.db2.gz BCQURCTZCAQRAG-AJSBUHFISA-N 2 2 401.595 3.801 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000429797370 977073433 /nfs/dbraw/zinc/07/34/33/977073433.db2.gz BCQURCTZCAQRAG-AJSBUHFISA-N 2 2 401.595 3.801 20 0 HHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804835 977080244 /nfs/dbraw/zinc/08/02/44/977080244.db2.gz UMVFCBNHAGITFT-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804835 977080254 /nfs/dbraw/zinc/08/02/54/977080254.db2.gz UMVFCBNHAGITFT-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804835 977080262 /nfs/dbraw/zinc/08/02/62/977080262.db2.gz UMVFCBNHAGITFT-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000429804835 977080272 /nfs/dbraw/zinc/08/02/72/977080272.db2.gz UMVFCBNHAGITFT-HYBUGGRVSA-N 2 2 409.574 3.544 20 0 HHADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000430223721 977402580 /nfs/dbraw/zinc/40/25/80/977402580.db2.gz VNVVSRUPISFBAQ-FQEVSTJZSA-N 2 2 420.395 3.637 20 0 HHADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)ccc1Br ZINC000430223721 977402585 /nfs/dbraw/zinc/40/25/85/977402585.db2.gz VNVVSRUPISFBAQ-FQEVSTJZSA-N 2 2 420.395 3.637 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000430260698 977427733 /nfs/dbraw/zinc/42/77/33/977427733.db2.gz HSLIHYVOWSVERQ-QHCPKHFHSA-N 2 2 417.557 3.542 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000430260698 977427735 /nfs/dbraw/zinc/42/77/35/977427735.db2.gz HSLIHYVOWSVERQ-QHCPKHFHSA-N 2 2 417.557 3.542 20 0 HHADLP C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000430843769 977795084 /nfs/dbraw/zinc/79/50/84/977795084.db2.gz GCGGLSOKEDFXJU-QGZVFWFLSA-N 2 2 405.974 3.725 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430845226 977796877 /nfs/dbraw/zinc/79/68/77/977796877.db2.gz BPUAILFYAVDMTC-FQEVSTJZSA-N 2 2 415.969 3.765 20 0 HHADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430845226 977796883 /nfs/dbraw/zinc/79/68/83/977796883.db2.gz BPUAILFYAVDMTC-FQEVSTJZSA-N 2 2 415.969 3.765 20 0 HHADLP Cc1cccc(-c2noc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)c1 ZINC000430912378 977881330 /nfs/dbraw/zinc/88/13/30/977881330.db2.gz KUXKXHLLAFSWJO-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP Cc1cccc(-c2noc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)c1 ZINC000430912378 977881346 /nfs/dbraw/zinc/88/13/46/977881346.db2.gz KUXKXHLLAFSWJO-UHFFFAOYSA-N 3 2 411.594 3.673 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430925682 977891072 /nfs/dbraw/zinc/89/10/72/977891072.db2.gz LYAMJKJUPNEGQR-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430925682 977891079 /nfs/dbraw/zinc/89/10/79/977891079.db2.gz LYAMJKJUPNEGQR-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933413 977897100 /nfs/dbraw/zinc/89/71/00/977897100.db2.gz KMYFRULWLBFBNU-FQEVSTJZSA-N 3 2 414.638 3.704 20 0 HHADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430933413 977897114 /nfs/dbraw/zinc/89/71/14/977897114.db2.gz KMYFRULWLBFBNU-FQEVSTJZSA-N 3 2 414.638 3.704 20 0 HHADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941041 977903830 /nfs/dbraw/zinc/90/38/30/977903830.db2.gz TWJWIXHSHBYKIR-GOSISDBHSA-N 3 2 411.594 3.525 20 0 HHADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430941041 977903837 /nfs/dbraw/zinc/90/38/37/977903837.db2.gz TWJWIXHSHBYKIR-GOSISDBHSA-N 3 2 411.594 3.525 20 0 HHADLP c1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc(OCC[NH+]2CCOCC2)c1 ZINC000431348843 978226640 /nfs/dbraw/zinc/22/66/40/978226640.db2.gz KGRUCLKNLQUWEZ-RUZDIDTESA-N 2 2 422.569 3.890 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000431789255 978514234 /nfs/dbraw/zinc/51/42/34/978514234.db2.gz AKPRNWGHGMAWBV-XMMPIXPASA-N 2 2 410.606 3.797 20 0 HHADLP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1OC(F)F ZINC000432359704 978776828 /nfs/dbraw/zinc/77/68/28/978776828.db2.gz UDUOEEMSELWTJY-AWEZNQCLSA-N 2 2 421.326 3.949 20 0 HHADLP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1OC(F)F ZINC000432359704 978776831 /nfs/dbraw/zinc/77/68/31/978776831.db2.gz UDUOEEMSELWTJY-AWEZNQCLSA-N 2 2 421.326 3.949 20 0 HHADLP CC(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000433781941 979568882 /nfs/dbraw/zinc/56/88/82/979568882.db2.gz GMTGTYOBUBVEAY-UWJYYQICSA-N 2 2 400.954 3.759 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433933202 979692232 /nfs/dbraw/zinc/69/22/32/979692232.db2.gz UYJAVWUZFCGTNL-UHFFFAOYSA-N 2 2 421.589 3.904 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000433934272 979693410 /nfs/dbraw/zinc/69/34/10/979693410.db2.gz OPUYEMWIWMYAFU-PMACEKPBSA-N 2 2 415.626 3.867 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC(C)C ZINC000434003195 979750426 /nfs/dbraw/zinc/75/04/26/979750426.db2.gz MZVAYCRIMNRIOT-NRFANRHFSA-N 2 2 403.615 3.865 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[NH+](C)C)cc1 ZINC000434088989 979836966 /nfs/dbraw/zinc/83/69/66/979836966.db2.gz ZVIZYRGLRHYVDU-JOCHJYFZSA-N 2 2 409.578 3.720 20 0 HHADLP Cc1ccc(C2(CNC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCC2)cc1C ZINC000434132698 979889386 /nfs/dbraw/zinc/88/93/86/979889386.db2.gz ARWPACCQLSOTSW-UHFFFAOYSA-N 2 2 412.622 3.583 20 0 HHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434183642 979948843 /nfs/dbraw/zinc/94/88/43/979948843.db2.gz OHFUDBFFCYGCDE-FQEVSTJZSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434183642 979948845 /nfs/dbraw/zinc/94/88/45/979948845.db2.gz OHFUDBFFCYGCDE-FQEVSTJZSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370508 980119259 /nfs/dbraw/zinc/11/92/59/980119259.db2.gz PLEQNCWCAMTPQO-CVDCTZTESA-N 2 2 421.589 3.629 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434370508 980119263 /nfs/dbraw/zinc/11/92/63/980119263.db2.gz PLEQNCWCAMTPQO-CVDCTZTESA-N 2 2 421.589 3.629 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434466844 980198054 /nfs/dbraw/zinc/19/80/54/980198054.db2.gz GSRQOVGWOXZWSH-AFXVXQJMSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434466844 980198064 /nfs/dbraw/zinc/19/80/64/980198064.db2.gz GSRQOVGWOXZWSH-AFXVXQJMSA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000434466847 980198174 /nfs/dbraw/zinc/19/81/74/980198174.db2.gz GSRQOVGWOXZWSH-WBADGQHESA-N 2 2 416.585 3.660 20 0 HHADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000434466847 980198177 /nfs/dbraw/zinc/19/81/77/980198177.db2.gz GSRQOVGWOXZWSH-WBADGQHESA-N 2 2 416.585 3.660 20 0 HHADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434663041 980327153 /nfs/dbraw/zinc/32/71/53/980327153.db2.gz JYOVZKWHJHWOFQ-INIZCTEOSA-N 2 2 400.954 3.757 20 0 HHADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677697 980334025 /nfs/dbraw/zinc/33/40/25/980334025.db2.gz XTXOOSFXVGMPDV-SFHVURJKSA-N 2 2 419.573 3.628 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985850 980550861 /nfs/dbraw/zinc/55/08/61/980550861.db2.gz KXFSWHHSIJPJEO-HNNXBMFYSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@H](c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122882 980655547 /nfs/dbraw/zinc/65/55/47/980655547.db2.gz DCDXXVQBUIEGKV-LEWJYISDSA-N 2 2 422.573 3.818 20 0 HHADLP C[C@H](c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000435122882 980655553 /nfs/dbraw/zinc/65/55/53/980655553.db2.gz DCDXXVQBUIEGKV-LEWJYISDSA-N 2 2 422.573 3.818 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000435790277 981032828 /nfs/dbraw/zinc/03/28/28/981032828.db2.gz LESRTFARPPEVAU-ZCYQVOJMSA-N 2 2 416.569 3.822 20 0 HHADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000435790277 981032833 /nfs/dbraw/zinc/03/28/33/981032833.db2.gz LESRTFARPPEVAU-ZCYQVOJMSA-N 2 2 416.569 3.822 20 0 HHADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000436280518 981282023 /nfs/dbraw/zinc/28/20/23/981282023.db2.gz KVRDUOBDHGMUEA-UHFFFAOYSA-N 2 2 414.509 3.628 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371254 981730453 /nfs/dbraw/zinc/73/04/53/981730453.db2.gz MJURFIRPWPIHLF-QMHWCDLVSA-N 2 2 412.578 3.560 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)[NH+]1CCOCC1 ZINC000448371254 981730458 /nfs/dbraw/zinc/73/04/58/981730458.db2.gz MJURFIRPWPIHLF-QMHWCDLVSA-N 2 2 412.578 3.560 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460336226 982108676 /nfs/dbraw/zinc/10/86/76/982108676.db2.gz BIWORIZDXLBGCE-PKTZIBPZSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460336226 982108686 /nfs/dbraw/zinc/10/86/86/982108686.db2.gz BIWORIZDXLBGCE-PKTZIBPZSA-N 2 2 415.541 3.536 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000460364692 982140423 /nfs/dbraw/zinc/14/04/23/982140423.db2.gz MLVOIWYMSMPPOX-IAGOWNOFSA-N 2 2 408.571 3.981 20 0 HHADLP Cc1cc(O[C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C(C)C ZINC000460483245 982275229 /nfs/dbraw/zinc/27/52/29/982275229.db2.gz NPFQKTWZOSZTDL-NRFANRHFSA-N 2 2 415.622 3.952 20 0 HHADLP CN(c1ccccc1)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000460496613 982285852 /nfs/dbraw/zinc/28/58/52/982285852.db2.gz YRLPZTFUECONDR-UHFFFAOYSA-N 2 2 421.589 3.530 20 0 HHADLP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460505966 982295051 /nfs/dbraw/zinc/29/50/51/982295051.db2.gz YKRKTXUZLMAVQB-OAQYLSRUSA-N 2 2 415.622 3.952 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccccc3)nc2)([NH+]2CCCCC2)CC1 ZINC000460507833 982297178 /nfs/dbraw/zinc/29/71/78/982297178.db2.gz HRCIPLIHHALXSK-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000437736213 982327611 /nfs/dbraw/zinc/32/76/11/982327611.db2.gz LRPOTVZHDTXNEW-SVFBPWRDSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000437736213 982327618 /nfs/dbraw/zinc/32/76/18/982327618.db2.gz LRPOTVZHDTXNEW-SVFBPWRDSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000437736213 982327628 /nfs/dbraw/zinc/32/76/28/982327628.db2.gz LRPOTVZHDTXNEW-SVFBPWRDSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000437736213 982327635 /nfs/dbraw/zinc/32/76/35/982327635.db2.gz LRPOTVZHDTXNEW-SVFBPWRDSA-N 2 2 402.583 3.634 20 0 HHADLP Cc1c(Br)cccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000438116822 982596469 /nfs/dbraw/zinc/59/64/69/982596469.db2.gz KGJZULXIJYSLKA-UHFFFAOYSA-N 2 2 423.399 3.829 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2OCC2CC2)([NH+]2CCCCC2)CC1 ZINC000438262072 982687377 /nfs/dbraw/zinc/68/73/77/982687377.db2.gz UUYMRIHAPGFXTP-UHFFFAOYSA-N 2 2 418.557 3.686 20 0 HHADLP COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000438307386 982713395 /nfs/dbraw/zinc/71/33/95/982713395.db2.gz UTPUKJBUFMZGQI-HXUWFJFHSA-N 2 2 406.979 3.987 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438359959 982745092 /nfs/dbraw/zinc/74/50/92/982745092.db2.gz BAHZXRDOZSDLRY-QFBILLFUSA-N 2 2 413.393 3.517 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438359959 982745097 /nfs/dbraw/zinc/74/50/97/982745097.db2.gz BAHZXRDOZSDLRY-QFBILLFUSA-N 2 2 413.393 3.517 20 0 HHADLP CCC(CC)[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1)[NH+]1CCOCC1 ZINC000461066957 982764124 /nfs/dbraw/zinc/76/41/24/982764124.db2.gz NVBZZPHNTQMMFX-HSZRJFAPSA-N 2 2 417.594 3.545 20 0 HHADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000461087453 982782295 /nfs/dbraw/zinc/78/22/95/982782295.db2.gz IRYCZYASEAQKSM-GOSISDBHSA-N 2 2 404.917 3.654 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000438443414 982796121 /nfs/dbraw/zinc/79/61/21/982796121.db2.gz LNZUPMGGXXJVLO-KOVSNXQUSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438443414 982796128 /nfs/dbraw/zinc/79/61/28/982796128.db2.gz LNZUPMGGXXJVLO-KOVSNXQUSA-N 2 2 412.622 3.911 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461421971 983085290 /nfs/dbraw/zinc/08/52/90/983085290.db2.gz RZYDACXZHXCSBR-GOSISDBHSA-N 2 2 405.901 3.701 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461421971 983085292 /nfs/dbraw/zinc/08/52/92/983085292.db2.gz RZYDACXZHXCSBR-GOSISDBHSA-N 2 2 405.901 3.701 20 0 HHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000439175520 983291974 /nfs/dbraw/zinc/29/19/74/983291974.db2.gz CBKJLMZZGCMTMW-UWVAXJGDSA-N 2 2 422.976 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000439175520 983291977 /nfs/dbraw/zinc/29/19/77/983291977.db2.gz CBKJLMZZGCMTMW-UWVAXJGDSA-N 2 2 422.976 3.884 20 0 HHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000439175519 983292185 /nfs/dbraw/zinc/29/21/85/983292185.db2.gz CBKJLMZZGCMTMW-FUHIMQAGSA-N 2 2 422.976 3.884 20 0 HHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000439175519 983292194 /nfs/dbraw/zinc/29/21/94/983292194.db2.gz CBKJLMZZGCMTMW-FUHIMQAGSA-N 2 2 422.976 3.884 20 0 HHADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000439653696 983485310 /nfs/dbraw/zinc/48/53/10/983485310.db2.gz ZNDRGQBVDZZVSB-GOSISDBHSA-N 2 2 413.587 3.865 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439832932 983553102 /nfs/dbraw/zinc/55/31/02/983553102.db2.gz DXCBFGLQRRGDTQ-OAQYLSRUSA-N 2 2 406.534 3.669 20 0 HHADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439832932 983553103 /nfs/dbraw/zinc/55/31/03/983553103.db2.gz DXCBFGLQRRGDTQ-OAQYLSRUSA-N 2 2 406.534 3.669 20 0 HHADLP O=C([C@H]1CCn2cc[nH+]c2C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000439997306 983610503 /nfs/dbraw/zinc/61/05/03/983610503.db2.gz HZMFHJMHVKREBN-KRWDZBQOSA-N 2 2 421.372 3.877 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710309 983863804 /nfs/dbraw/zinc/86/38/04/983863804.db2.gz GLGGCTRZWZDYFO-ROUUACIJSA-N 2 2 405.612 3.715 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)n2)C1 ZINC000440710309 983863809 /nfs/dbraw/zinc/86/38/09/983863809.db2.gz GLGGCTRZWZDYFO-ROUUACIJSA-N 2 2 405.612 3.715 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876599 983947139 /nfs/dbraw/zinc/94/71/39/983947139.db2.gz RLPSNZDEIQBAIS-GGAORHGYSA-N 2 2 409.578 3.805 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1 ZINC000440876599 983947145 /nfs/dbraw/zinc/94/71/45/983947145.db2.gz RLPSNZDEIQBAIS-GGAORHGYSA-N 2 2 409.578 3.805 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C)c1 ZINC000440881683 983950185 /nfs/dbraw/zinc/95/01/85/983950185.db2.gz VBWUAFLCLQWLSH-GOTSBHOMSA-N 2 2 423.536 3.982 20 0 HHADLP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000441012792 984022178 /nfs/dbraw/zinc/02/21/78/984022178.db2.gz RVUHIHPPSYVWSM-UHFFFAOYSA-N 2 2 409.578 3.777 20 0 HHADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000441044403 984040526 /nfs/dbraw/zinc/04/05/26/984040526.db2.gz JLNGDAKGJHGSGJ-ZJSXRUAMSA-N 2 2 414.638 3.523 20 0 HHADLP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cs2)c1 ZINC000441313260 984175282 /nfs/dbraw/zinc/17/52/82/984175282.db2.gz SRWRWZYALADNSG-UHFFFAOYSA-N 2 2 410.543 3.785 20 0 HHADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000441314602 984175817 /nfs/dbraw/zinc/17/58/17/984175817.db2.gz JNLDJOMDDWHILH-IBGZPJMESA-N 2 2 410.562 3.885 20 0 HHADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000441314602 984175824 /nfs/dbraw/zinc/17/58/24/984175824.db2.gz JNLDJOMDDWHILH-IBGZPJMESA-N 2 2 410.562 3.885 20 0 HHADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322235 984182903 /nfs/dbraw/zinc/18/29/03/984182903.db2.gz GCIFEDAHTFRCTF-JPYJTQIMSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000441322235 984182907 /nfs/dbraw/zinc/18/29/07/984182907.db2.gz GCIFEDAHTFRCTF-JPYJTQIMSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343644 984198155 /nfs/dbraw/zinc/19/81/55/984198155.db2.gz WISJRHUIAHJGJJ-PXDATVDWSA-N 2 2 420.601 3.795 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000441343644 984198158 /nfs/dbraw/zinc/19/81/58/984198158.db2.gz WISJRHUIAHJGJJ-PXDATVDWSA-N 2 2 420.601 3.795 20 0 HHADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406236 984235328 /nfs/dbraw/zinc/23/53/28/984235328.db2.gz QIYSBAUNXCNBEH-NLFFAJNJSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406236 984235334 /nfs/dbraw/zinc/23/53/34/984235334.db2.gz QIYSBAUNXCNBEH-NLFFAJNJSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406236 984235340 /nfs/dbraw/zinc/23/53/40/984235340.db2.gz QIYSBAUNXCNBEH-NLFFAJNJSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406236 984235346 /nfs/dbraw/zinc/23/53/46/984235346.db2.gz QIYSBAUNXCNBEH-NLFFAJNJSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406232 984235557 /nfs/dbraw/zinc/23/55/57/984235557.db2.gz QIYSBAUNXCNBEH-NBGIEHNGSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406232 984235562 /nfs/dbraw/zinc/23/55/62/984235562.db2.gz QIYSBAUNXCNBEH-NBGIEHNGSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406232 984235563 /nfs/dbraw/zinc/23/55/63/984235563.db2.gz QIYSBAUNXCNBEH-NBGIEHNGSA-N 2 2 418.585 3.732 20 0 HHADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000441406232 984235566 /nfs/dbraw/zinc/23/55/66/984235566.db2.gz QIYSBAUNXCNBEH-NBGIEHNGSA-N 2 2 418.585 3.732 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C)c1 ZINC000441495409 984286773 /nfs/dbraw/zinc/28/67/73/984286773.db2.gz BRANJJPHQUYODX-ISKFKSNPSA-N 2 2 419.573 3.713 20 0 HHADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000441900704 984527151 /nfs/dbraw/zinc/52/71/51/984527151.db2.gz RXLJKWWCXDLUOE-MRXNPFEDSA-N 2 2 401.352 3.824 20 0 HHADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000441900704 984527153 /nfs/dbraw/zinc/52/71/53/984527153.db2.gz RXLJKWWCXDLUOE-MRXNPFEDSA-N 2 2 401.352 3.824 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000442231589 984751245 /nfs/dbraw/zinc/75/12/45/984751245.db2.gz ALJHIDDLQYXQNP-DHIUTWEWSA-N 2 2 423.536 3.982 20 0 HHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000462109707 985080253 /nfs/dbraw/zinc/08/02/53/985080253.db2.gz QVHBRTXQCQOQEA-XMMPIXPASA-N 2 2 400.526 3.570 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442890048 985263513 /nfs/dbraw/zinc/26/35/13/985263513.db2.gz JCRJDDXUABGOCJ-KRWDZBQOSA-N 2 2 408.340 3.726 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442890048 985263523 /nfs/dbraw/zinc/26/35/23/985263523.db2.gz JCRJDDXUABGOCJ-KRWDZBQOSA-N 2 2 408.340 3.726 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)[NH+]2CCCC2)o1 ZINC000462318162 985306868 /nfs/dbraw/zinc/30/68/68/985306868.db2.gz ZRHYNFSTHLCRIF-ICSRJNTNSA-N 2 2 416.591 3.875 20 0 HHADLP O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000443108219 985379405 /nfs/dbraw/zinc/37/94/05/985379405.db2.gz VCLUXXPQGFFEFP-HSZRJFAPSA-N 2 2 400.526 3.890 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000462520621 985470321 /nfs/dbraw/zinc/47/03/21/985470321.db2.gz JXFYVPKXVWOUJK-AQNXPRMDSA-N 2 2 406.640 3.894 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443324685 985494403 /nfs/dbraw/zinc/49/44/03/985494403.db2.gz DNXDCDLYDJQHRY-INIZCTEOSA-N 2 2 402.296 3.841 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443324685 985494417 /nfs/dbraw/zinc/49/44/17/985494417.db2.gz DNXDCDLYDJQHRY-INIZCTEOSA-N 2 2 402.296 3.841 20 0 HHADLP Cc1cc(N2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000443477947 985653093 /nfs/dbraw/zinc/65/30/93/985653093.db2.gz SDFLCDOGKHDKKD-GOSISDBHSA-N 2 2 422.495 3.653 20 0 HHADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(Br)cc2Cl)nc[nH+]1 ZINC000462740174 985681661 /nfs/dbraw/zinc/68/16/61/985681661.db2.gz BCKIJWUSSGCDRV-CQSZACIVSA-N 2 2 410.747 3.693 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462740487 985681882 /nfs/dbraw/zinc/68/18/82/985681882.db2.gz BMDGIGFWWAOHOH-OAQYLSRUSA-N 2 2 409.578 3.663 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740487 985681887 /nfs/dbraw/zinc/68/18/87/985681887.db2.gz BMDGIGFWWAOHOH-OAQYLSRUSA-N 2 2 409.578 3.663 20 0 HHADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443521994 985692536 /nfs/dbraw/zinc/69/25/36/985692536.db2.gz WZPWYHYUJHLEML-OAHLLOKOSA-N 2 2 421.358 3.743 20 0 HHADLP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443521994 985692544 /nfs/dbraw/zinc/69/25/44/985692544.db2.gz WZPWYHYUJHLEML-OAHLLOKOSA-N 2 2 421.358 3.743 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000462784250 985719024 /nfs/dbraw/zinc/71/90/24/985719024.db2.gz AZKIWHXLFACIRV-XZOQPEGZSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000462784250 985719030 /nfs/dbraw/zinc/71/90/30/985719030.db2.gz AZKIWHXLFACIRV-XZOQPEGZSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000462784248 985719432 /nfs/dbraw/zinc/71/94/32/985719432.db2.gz AZKIWHXLFACIRV-GOTSBHOMSA-N 2 2 410.558 3.615 20 0 HHADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000462784248 985719441 /nfs/dbraw/zinc/71/94/41/985719441.db2.gz AZKIWHXLFACIRV-GOTSBHOMSA-N 2 2 410.558 3.615 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468084094 985742220 /nfs/dbraw/zinc/74/22/20/985742220.db2.gz DUENOCSVQKBALN-UHFFFAOYSA-N 2 2 420.582 3.704 20 0 HHADLP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)CC1 ZINC000443586605 985761847 /nfs/dbraw/zinc/76/18/47/985761847.db2.gz XKSVHHMEBHGBSH-FQEVSTJZSA-N 2 2 410.389 3.857 20 0 HHADLP Fc1ccc(OCc2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000443606873 985784877 /nfs/dbraw/zinc/78/48/77/985784877.db2.gz YNHRBZOVLBGPFR-UHFFFAOYSA-N 2 2 402.514 3.876 20 0 HHADLP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443618080 985795176 /nfs/dbraw/zinc/79/51/76/985795176.db2.gz ZCVXLWWSWODITF-JOCHJYFZSA-N 2 2 413.997 3.707 20 0 HHADLP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443618080 985795190 /nfs/dbraw/zinc/79/51/90/985795190.db2.gz ZCVXLWWSWODITF-JOCHJYFZSA-N 2 2 413.997 3.707 20 0 HHADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(-c2ccccc2F)n1 ZINC000462886290 985811459 /nfs/dbraw/zinc/81/14/59/985811459.db2.gz FEQQHWCTAFUBPN-INIZCTEOSA-N 2 2 411.550 3.947 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000462901832 985830595 /nfs/dbraw/zinc/83/05/95/985830595.db2.gz XZERARCUSIOFLY-CQSZACIVSA-N 2 2 413.356 3.526 20 0 HHADLP Clc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000463079598 986037095 /nfs/dbraw/zinc/03/70/95/986037095.db2.gz FYSDUUGSIGVNKQ-DEOSSOPVSA-N 2 2 413.993 3.769 20 0 HHADLP Clc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000463079598 986037107 /nfs/dbraw/zinc/03/71/07/986037107.db2.gz FYSDUUGSIGVNKQ-DEOSSOPVSA-N 2 2 413.993 3.769 20 0 HHADLP O=C([C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCC1 ZINC000463107620 986068770 /nfs/dbraw/zinc/06/87/70/986068770.db2.gz DZBUNCNVMWYUDQ-VWLOTQADSA-N 2 2 405.586 3.517 20 0 HHADLP COc1ccc([C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[NH+](C)C)cc1OC ZINC000463128926 986093475 /nfs/dbraw/zinc/09/34/75/986093475.db2.gz AKMJJPYQFZASHF-HSZRJFAPSA-N 2 2 411.590 3.603 20 0 HHADLP COc1ccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128926 986093488 /nfs/dbraw/zinc/09/34/88/986093488.db2.gz AKMJJPYQFZASHF-HSZRJFAPSA-N 2 2 411.590 3.603 20 0 HHADLP C[N@@H+]1CCN(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000463132444 986098310 /nfs/dbraw/zinc/09/83/10/986098310.db2.gz OTZMJUDQSYJQBD-MHZLTWQESA-N 3 2 420.645 3.662 20 0 HHADLP C[N@H+]1CCN(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000463132444 986098322 /nfs/dbraw/zinc/09/83/22/986098322.db2.gz OTZMJUDQSYJQBD-MHZLTWQESA-N 3 2 420.645 3.662 20 0 HHADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000463137721 986106496 /nfs/dbraw/zinc/10/64/96/986106496.db2.gz MNZWLIPUHCBARF-LJQANCHMSA-N 2 2 415.603 3.988 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(Br)c1 ZINC000463191421 986163187 /nfs/dbraw/zinc/16/31/87/986163187.db2.gz PHDBYESKDZMBIB-NRFANRHFSA-N 2 2 403.364 3.779 20 0 HHADLP COC(=O)C[NH+]1CCC(Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000468477042 986171707 /nfs/dbraw/zinc/17/17/07/986171707.db2.gz FXUIOUBENIJTAU-QHCPKHFHSA-N 2 2 417.594 3.515 20 0 HHADLP COC(=O)C[NH+]1CCC(Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)CC1 ZINC000468477042 986171712 /nfs/dbraw/zinc/17/17/12/986171712.db2.gz FXUIOUBENIJTAU-QHCPKHFHSA-N 2 2 417.594 3.515 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000463304247 986271860 /nfs/dbraw/zinc/27/18/60/986271860.db2.gz FUZPCOKDLVUAGJ-OTWHNJEPSA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000463304247 986271872 /nfs/dbraw/zinc/27/18/72/986271872.db2.gz FUZPCOKDLVUAGJ-OTWHNJEPSA-N 2 2 404.624 3.789 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000463316491 986284512 /nfs/dbraw/zinc/28/45/12/986284512.db2.gz TUHVSYBGOHHRBJ-GOSISDBHSA-N 2 2 404.624 3.933 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)C1 ZINC000444197984 986376048 /nfs/dbraw/zinc/37/60/48/986376048.db2.gz SQSMGSCCVPBPBL-VIZSFHNOSA-N 2 2 423.605 3.987 20 0 HHADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210492 986392077 /nfs/dbraw/zinc/39/20/77/986392077.db2.gz HSHMAIVUZDNFAC-XLIONFOSSA-N 2 2 407.505 3.591 20 0 HHADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000444210492 986392083 /nfs/dbraw/zinc/39/20/83/986392083.db2.gz HSHMAIVUZDNFAC-XLIONFOSSA-N 2 2 407.505 3.591 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2)c1 ZINC000468850202 986561105 /nfs/dbraw/zinc/56/11/05/986561105.db2.gz FXTBIQVSZKPENR-UHFFFAOYSA-N 2 2 423.948 3.985 20 0 HHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000468867146 986575789 /nfs/dbraw/zinc/57/57/89/986575789.db2.gz FGQWGDDAXNQWFV-RTBURBONSA-N 2 2 413.562 3.646 20 0 HHADLP CC[NH+](CC)CCN(CCOC)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463690851 986673777 /nfs/dbraw/zinc/67/37/77/986673777.db2.gz ODMKWQDOXKYDDR-UHFFFAOYSA-N 2 2 413.566 3.709 20 0 HHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCc1ccc(O)c(F)c1 ZINC000469185128 986909382 /nfs/dbraw/zinc/90/93/82/986909382.db2.gz KXSZBOVLJGNDCT-UHFFFAOYSA-N 2 2 419.585 3.509 20 0 HHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188815 986913930 /nfs/dbraw/zinc/91/39/30/986913930.db2.gz HMASWYUKPIPMGA-IERDGZPVSA-N 2 2 410.953 3.624 20 0 HHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(-n2cc(Cl)cn2)n1 ZINC000469188815 986913935 /nfs/dbraw/zinc/91/39/35/986913935.db2.gz HMASWYUKPIPMGA-IERDGZPVSA-N 2 2 410.953 3.624 20 0 HHADLP C[C@@H](c1cccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1)[NH+]1CCOCC1 ZINC000469215298 986938118 /nfs/dbraw/zinc/93/81/18/986938118.db2.gz VEQFDOKGIZKSJP-SFHVURJKSA-N 2 2 402.498 3.893 20 0 HHADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)CC2)cc1 ZINC000444818846 986972834 /nfs/dbraw/zinc/97/28/34/986972834.db2.gz XTYWYZZRPGIRRV-HSZRJFAPSA-N 2 2 408.590 3.779 20 0 HHADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)CC2)cc1 ZINC000444818846 986972838 /nfs/dbraw/zinc/97/28/38/986972838.db2.gz XTYWYZZRPGIRRV-HSZRJFAPSA-N 2 2 408.590 3.779 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)CC1 ZINC000444832652 986990782 /nfs/dbraw/zinc/99/07/82/986990782.db2.gz COVNKVIVXMVGDS-UHFFFAOYSA-N 2 2 413.591 3.854 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3CCC(F)(F)F)CC2)CC1 ZINC000444855015 987012416 /nfs/dbraw/zinc/01/24/16/987012416.db2.gz FPCJRZNRUFFYPQ-UHFFFAOYSA-N 2 2 412.500 3.862 20 0 HHADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000444866513 987022225 /nfs/dbraw/zinc/02/22/25/987022225.db2.gz ACZXBVFUMDPXKY-UHFFFAOYSA-N 2 2 423.399 3.746 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C(F)F)c3Cl)CC2)CC1 ZINC000444935960 987080528 /nfs/dbraw/zinc/08/05/28/987080528.db2.gz IOHSDKWPVDNVOS-UHFFFAOYSA-N 2 2 400.901 3.958 20 0 HHADLP O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469455753 987141019 /nfs/dbraw/zinc/14/10/19/987141019.db2.gz YNAWMNRQOSAGLL-FQEVSTJZSA-N 2 2 413.512 3.666 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469455753 987141021 /nfs/dbraw/zinc/14/10/21/987141021.db2.gz YNAWMNRQOSAGLL-FQEVSTJZSA-N 2 2 413.512 3.666 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469508062 987185257 /nfs/dbraw/zinc/18/52/57/987185257.db2.gz GJYGXWVXHDBGGQ-SFTDATJTSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469508062 987185263 /nfs/dbraw/zinc/18/52/63/987185263.db2.gz GJYGXWVXHDBGGQ-SFTDATJTSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469508062 987185267 /nfs/dbraw/zinc/18/52/67/987185267.db2.gz GJYGXWVXHDBGGQ-SFTDATJTSA-N 2 2 417.475 3.670 20 0 HHADLP O=C(N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469508062 987185271 /nfs/dbraw/zinc/18/52/71/987185271.db2.gz GJYGXWVXHDBGGQ-SFTDATJTSA-N 2 2 417.475 3.670 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000445214009 987281430 /nfs/dbraw/zinc/28/14/30/987281430.db2.gz AMTALFLGGZLAGT-FCEUIQTBSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000445214009 987281435 /nfs/dbraw/zinc/28/14/35/987281435.db2.gz AMTALFLGGZLAGT-FCEUIQTBSA-N 2 2 409.578 3.610 20 0 HHADLP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469754295 987406640 /nfs/dbraw/zinc/40/66/40/987406640.db2.gz XUWVRLAQKPAYCH-XKYYZAJSSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469754295 987406645 /nfs/dbraw/zinc/40/66/45/987406645.db2.gz XUWVRLAQKPAYCH-XKYYZAJSSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469754297 987406910 /nfs/dbraw/zinc/40/69/10/987406910.db2.gz XUWVRLAQKPAYCH-YXPZWWFCSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000469754297 987406913 /nfs/dbraw/zinc/40/69/13/987406913.db2.gz XUWVRLAQKPAYCH-YXPZWWFCSA-N 2 2 407.562 3.671 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469838545 987473538 /nfs/dbraw/zinc/47/35/38/987473538.db2.gz MXCMOALGKFBFKE-JRGCBEDISA-N 2 2 415.969 3.966 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)c3cccc(F)c3)CC2)CC1 ZINC000445521263 987577284 /nfs/dbraw/zinc/57/72/84/987577284.db2.gz WPHYAVMSDWYDOQ-DEOSSOPVSA-N 2 2 424.564 3.773 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)NCCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000470028137 987639538 /nfs/dbraw/zinc/63/95/38/987639538.db2.gz LYYLXOBORROMII-QGZVFWFLSA-N 2 2 409.456 3.505 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000470282858 988238583 /nfs/dbraw/zinc/23/85/83/988238583.db2.gz LMSFYMSUAUYBQW-MNEFBYGVSA-N 2 2 423.483 3.797 20 0 HHADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470721325 988746974 /nfs/dbraw/zinc/74/69/74/988746974.db2.gz CAUPLPUDBIXTCQ-NRFANRHFSA-N 2 2 421.520 3.817 20 0 HHADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470721325 988746989 /nfs/dbraw/zinc/74/69/89/988746989.db2.gz CAUPLPUDBIXTCQ-NRFANRHFSA-N 2 2 421.520 3.817 20 0 HHADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470751325 988792319 /nfs/dbraw/zinc/79/23/19/988792319.db2.gz JTEWXWQUAQKOCS-QHCPKHFHSA-N 2 2 421.589 3.878 20 0 HHADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470751325 988792330 /nfs/dbraw/zinc/79/23/30/988792330.db2.gz JTEWXWQUAQKOCS-QHCPKHFHSA-N 2 2 421.589 3.878 20 0 HHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811851 988873610 /nfs/dbraw/zinc/87/36/10/988873610.db2.gz JSXCWVFZCUHYQC-AYRHNUGRSA-N 2 2 420.601 3.882 20 0 HHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811851 988873627 /nfs/dbraw/zinc/87/36/27/988873627.db2.gz JSXCWVFZCUHYQC-AYRHNUGRSA-N 2 2 420.601 3.882 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811851 988873656 /nfs/dbraw/zinc/87/36/56/988873656.db2.gz JSXCWVFZCUHYQC-AYRHNUGRSA-N 2 2 420.601 3.882 20 0 HHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H]1c1cnn(C)c1 ZINC000470811851 988873672 /nfs/dbraw/zinc/87/36/72/988873672.db2.gz JSXCWVFZCUHYQC-AYRHNUGRSA-N 2 2 420.601 3.882 20 0 HHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000464676579 988875439 /nfs/dbraw/zinc/87/54/39/988875439.db2.gz GYEVSAYNYYAANN-ROUUACIJSA-N 2 2 400.592 3.916 20 0 HHADLP CC[N@H+](CCC(=O)N1CCc2sccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806541 989037528 /nfs/dbraw/zinc/03/75/28/989037528.db2.gz DTQSQQAVRFCUMN-UHFFFAOYSA-N 2 2 412.603 3.656 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCc2sccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806541 989037540 /nfs/dbraw/zinc/03/75/40/989037540.db2.gz DTQSQQAVRFCUMN-UHFFFAOYSA-N 2 2 412.603 3.656 20 0 HHADLP CCc1nc(NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000464808250 989040777 /nfs/dbraw/zinc/04/07/77/989040777.db2.gz KKDIUGWRGOQLFC-UHFFFAOYSA-N 2 2 401.580 3.586 20 0 HHADLP CCc1nc(NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000464808250 989040787 /nfs/dbraw/zinc/04/07/87/989040787.db2.gz KKDIUGWRGOQLFC-UHFFFAOYSA-N 2 2 401.580 3.586 20 0 HHADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832103 989072616 /nfs/dbraw/zinc/07/26/16/989072616.db2.gz BOHUZUHVRKHXDD-CTNGQTDRSA-N 2 2 410.562 3.749 20 0 HHADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000464832103 989072622 /nfs/dbraw/zinc/07/26/22/989072622.db2.gz BOHUZUHVRKHXDD-CTNGQTDRSA-N 2 2 410.562 3.749 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839323 989084140 /nfs/dbraw/zinc/08/41/40/989084140.db2.gz QNEOHKREABRRLN-RBBKRZOGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)c1 ZINC000464839323 989084167 /nfs/dbraw/zinc/08/41/67/989084167.db2.gz QNEOHKREABRRLN-RBBKRZOGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839323 989084176 /nfs/dbraw/zinc/08/41/76/989084176.db2.gz QNEOHKREABRRLN-RBBKRZOGSA-N 2 2 422.573 3.794 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000464839323 989084181 /nfs/dbraw/zinc/08/41/81/989084181.db2.gz QNEOHKREABRRLN-RBBKRZOGSA-N 2 2 422.573 3.794 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843571 989092293 /nfs/dbraw/zinc/09/22/93/989092293.db2.gz WDDKKPZTYAIEIK-YSAGZBHUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843571 989092300 /nfs/dbraw/zinc/09/23/00/989092300.db2.gz WDDKKPZTYAIEIK-YSAGZBHUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843571 989092311 /nfs/dbraw/zinc/09/23/11/989092311.db2.gz WDDKKPZTYAIEIK-YSAGZBHUSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843571 989092321 /nfs/dbraw/zinc/09/23/21/989092321.db2.gz WDDKKPZTYAIEIK-YSAGZBHUSA-N 2 2 409.618 3.914 20 0 HHADLP CN(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851593 989104218 /nfs/dbraw/zinc/10/42/18/989104218.db2.gz QANVVRUKIKTCGD-RDGATRHJSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851593 989104221 /nfs/dbraw/zinc/10/42/21/989104221.db2.gz QANVVRUKIKTCGD-RDGATRHJSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851593 989104227 /nfs/dbraw/zinc/10/42/27/989104227.db2.gz QANVVRUKIKTCGD-RDGATRHJSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000464851593 989104231 /nfs/dbraw/zinc/10/42/31/989104231.db2.gz QANVVRUKIKTCGD-RDGATRHJSA-N 2 2 405.586 3.976 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471098195 989194506 /nfs/dbraw/zinc/19/45/06/989194506.db2.gz BTGQXNLOLNZKOQ-DHIUTWEWSA-N 2 2 415.626 3.798 20 0 HHADLP CN(C(=O)c1ccn(C2CCCCC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471098195 989194511 /nfs/dbraw/zinc/19/45/11/989194511.db2.gz BTGQXNLOLNZKOQ-DHIUTWEWSA-N 2 2 415.626 3.798 20 0 HHADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000471117097 989220910 /nfs/dbraw/zinc/22/09/10/989220910.db2.gz RZVNCFCQOSXQDE-IBGZPJMESA-N 2 2 413.591 3.773 20 0 HHADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000471117097 989220923 /nfs/dbraw/zinc/22/09/23/989220923.db2.gz RZVNCFCQOSXQDE-IBGZPJMESA-N 2 2 413.591 3.773 20 0 HHADLP C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176366 989304986 /nfs/dbraw/zinc/30/49/86/989304986.db2.gz GCCODJUJNKIDOE-XMMPIXPASA-N 2 2 419.569 3.613 20 0 HHADLP C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176366 989304995 /nfs/dbraw/zinc/30/49/95/989304995.db2.gz GCCODJUJNKIDOE-XMMPIXPASA-N 2 2 419.569 3.613 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182568 989314198 /nfs/dbraw/zinc/31/41/98/989314198.db2.gz SFWSMWOIVCUXAY-HZPDHXFCSA-N 2 2 423.542 3.930 20 0 HHADLP C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182568 989314202 /nfs/dbraw/zinc/31/42/02/989314202.db2.gz SFWSMWOIVCUXAY-HZPDHXFCSA-N 2 2 423.542 3.930 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186654 989320563 /nfs/dbraw/zinc/32/05/63/989320563.db2.gz OBIBIYZOPVYDRH-NFBKMPQASA-N 2 2 406.505 3.976 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186654 989320569 /nfs/dbraw/zinc/32/05/69/989320569.db2.gz OBIBIYZOPVYDRH-NFBKMPQASA-N 2 2 406.505 3.976 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468742 989813580 /nfs/dbraw/zinc/81/35/80/989813580.db2.gz RYOWEUXXEVFTEN-CYFREDJKSA-N 2 2 418.541 3.649 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468742 989813593 /nfs/dbraw/zinc/81/35/93/989813593.db2.gz RYOWEUXXEVFTEN-CYFREDJKSA-N 2 2 418.541 3.649 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468744 989813940 /nfs/dbraw/zinc/81/39/40/989813940.db2.gz RYOWEUXXEVFTEN-NTKDMRAZSA-N 2 2 418.541 3.649 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000465468744 989813952 /nfs/dbraw/zinc/81/39/52/989813952.db2.gz RYOWEUXXEVFTEN-NTKDMRAZSA-N 2 2 418.541 3.649 20 0 HHADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000465525857 989882040 /nfs/dbraw/zinc/88/20/40/989882040.db2.gz SNFBADINOFLPQJ-QGZVFWFLSA-N 2 2 424.536 3.599 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000465540326 989904034 /nfs/dbraw/zinc/90/40/34/989904034.db2.gz HTZBWNNPLDBKHY-FQEVSTJZSA-N 2 2 415.607 3.694 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCSc3c(F)cccc32)([NH+]2CCCCC2)CC1 ZINC000465637266 990024198 /nfs/dbraw/zinc/02/41/98/990024198.db2.gz ZOMSPSXVGMRAPC-IBGZPJMESA-N 2 2 420.598 3.612 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000471877629 990049793 /nfs/dbraw/zinc/04/97/93/990049793.db2.gz SIZOQTZZJQTBDW-FCHUYYIVSA-N 2 2 411.594 3.979 20 0 HHADLP CN(C(=O)Nc1cccc2ccn(C)c21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000471877629 990049798 /nfs/dbraw/zinc/04/97/98/990049798.db2.gz SIZOQTZZJQTBDW-FCHUYYIVSA-N 2 2 411.594 3.979 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000465707291 990093341 /nfs/dbraw/zinc/09/33/41/990093341.db2.gz HIBMIIWHAAPLSF-RDPSFJRHSA-N 2 2 415.626 3.840 20 0 HHADLP Cc1c2cc(F)ccc2oc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465727320 990112550 /nfs/dbraw/zinc/11/25/50/990112550.db2.gz RDMXAGJGMNNJAY-UHFFFAOYSA-N 2 2 416.541 3.630 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000465740483 990126259 /nfs/dbraw/zinc/12/62/59/990126259.db2.gz MUOOGTDGPLJDFE-FQEVSTJZSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000465740483 990126267 /nfs/dbraw/zinc/12/62/67/990126267.db2.gz MUOOGTDGPLJDFE-FQEVSTJZSA-N 2 2 403.530 3.678 20 0 HHADLP Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804564 990187013 /nfs/dbraw/zinc/18/70/13/990187013.db2.gz DDUZNKKJNZMZIF-DNQXCXABSA-N 2 2 412.622 3.831 20 0 HHADLP Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804565 990187107 /nfs/dbraw/zinc/18/71/07/990187107.db2.gz DDUZNKKJNZMZIF-RPWUZVMVSA-N 2 2 412.622 3.831 20 0 HHADLP C[C@@H]1C[C@@H]1[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819691 990202640 /nfs/dbraw/zinc/20/26/40/990202640.db2.gz WARPVXHSEHAGAQ-URZJWIJPSA-N 2 2 419.013 3.895 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCCCCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465853898 990963328 /nfs/dbraw/zinc/96/33/28/990963328.db2.gz CNONQLABBXVCCJ-UHFFFAOYSA-N 2 2 400.611 3.649 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000466006855 991172457 /nfs/dbraw/zinc/17/24/57/991172457.db2.gz GTSIYVZADMFWQV-UHFFFAOYSA-N 2 2 407.518 3.655 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000466006855 991172462 /nfs/dbraw/zinc/17/24/62/991172462.db2.gz GTSIYVZADMFWQV-UHFFFAOYSA-N 2 2 407.518 3.655 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)([NH+]2CCCCC2)CC1 ZINC000466136313 991316401 /nfs/dbraw/zinc/31/64/01/991316401.db2.gz DMZPNMZIDAXVGH-FQEVSTJZSA-N 2 2 419.013 3.789 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccco2)([NH+]2CCCCC2)CC1 ZINC000466136435 991316869 /nfs/dbraw/zinc/31/68/69/991316869.db2.gz FEBSSTNPTCKBMD-HXUWFJFHSA-N 2 2 402.583 3.857 20 0 HHADLP C[NH+]1CCC(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)([NH+]2CCCCC2)CC1 ZINC000466143708 991326329 /nfs/dbraw/zinc/32/63/29/991326329.db2.gz KOKIGICEPHAZMU-UHFFFAOYSA-N 2 2 420.548 3.589 20 0 HHADLP C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466144514 991327117 /nfs/dbraw/zinc/32/71/17/991327117.db2.gz SCXGUBKXHNGPHV-DENIHFKCSA-N 2 2 416.585 3.869 20 0 HHADLP Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466157905 991346666 /nfs/dbraw/zinc/34/66/66/991346666.db2.gz OOEYGAVVFUSOGY-YADHBBJMSA-N 2 2 412.622 3.833 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466907605 992223680 /nfs/dbraw/zinc/22/36/80/992223680.db2.gz XWONAFILLQDNKU-GOTSBHOMSA-N 2 2 424.593 3.878 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466907605 992223688 /nfs/dbraw/zinc/22/36/88/992223688.db2.gz XWONAFILLQDNKU-GOTSBHOMSA-N 2 2 424.593 3.878 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@@H+]1Cc1ccccc1 ZINC000466977595 992288611 /nfs/dbraw/zinc/28/86/11/992288611.db2.gz SPZNYDIDVFDQQZ-PKOBYXMFSA-N 2 2 413.591 3.914 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[N@H+]1Cc1ccccc1 ZINC000466977595 992288618 /nfs/dbraw/zinc/28/86/18/992288618.db2.gz SPZNYDIDVFDQQZ-PKOBYXMFSA-N 2 2 413.591 3.914 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263065 993287343 /nfs/dbraw/zinc/28/73/43/993287343.db2.gz MUKOESRSVZITEV-GOEBONIOSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472263065 993287350 /nfs/dbraw/zinc/28/73/50/993287350.db2.gz MUKOESRSVZITEV-GOEBONIOSA-N 2 2 402.366 3.753 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281903 993300838 /nfs/dbraw/zinc/30/08/38/993300838.db2.gz XYRNFBZOTSBFBS-APWZRJJASA-N 2 2 406.958 3.808 20 0 HHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000472281903 993300845 /nfs/dbraw/zinc/30/08/45/993300845.db2.gz XYRNFBZOTSBFBS-APWZRJJASA-N 2 2 406.958 3.808 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1cccc(F)c1 ZINC000472348560 993351292 /nfs/dbraw/zinc/35/12/92/993351292.db2.gz JLISEBXAHINSDC-KOSHJBKYSA-N 2 2 411.521 3.680 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1cccc(F)c1 ZINC000472348560 993351298 /nfs/dbraw/zinc/35/12/98/993351298.db2.gz JLISEBXAHINSDC-KOSHJBKYSA-N 2 2 411.521 3.680 20 0 HHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652007 993585792 /nfs/dbraw/zinc/58/57/92/993585792.db2.gz GSMXDKUVUJNMIE-OAQYLSRUSA-N 2 2 401.576 3.794 20 0 HHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652007 993585800 /nfs/dbraw/zinc/58/58/00/993585800.db2.gz GSMXDKUVUJNMIE-OAQYLSRUSA-N 2 2 401.576 3.794 20 0 HHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652007 993585812 /nfs/dbraw/zinc/58/58/12/993585812.db2.gz GSMXDKUVUJNMIE-OAQYLSRUSA-N 2 2 401.576 3.794 20 0 HHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000472652007 993585820 /nfs/dbraw/zinc/58/58/20/993585820.db2.gz GSMXDKUVUJNMIE-OAQYLSRUSA-N 2 2 401.576 3.794 20 0 HHADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1OC ZINC000480769558 993634868 /nfs/dbraw/zinc/63/48/68/993634868.db2.gz IFPMJZQIPHATHJ-CABCVRRESA-N 2 2 400.548 3.995 20 0 HHADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000480823230 993699524 /nfs/dbraw/zinc/69/95/24/993699524.db2.gz ZHKSZIKDFXIDIN-MRXNPFEDSA-N 2 2 409.500 3.610 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886972 993748316 /nfs/dbraw/zinc/74/83/16/993748316.db2.gz ZFRWVKMPBLHFHH-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000480886972 993748328 /nfs/dbraw/zinc/74/83/28/993748328.db2.gz ZFRWVKMPBLHFHH-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855710 993787496 /nfs/dbraw/zinc/78/74/96/993787496.db2.gz MQTPVZOPCJEMLQ-GOEBONIOSA-N 2 2 424.376 3.816 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(Cl)c(Cl)c4)o3)C2)CC1 ZINC000472855710 993787506 /nfs/dbraw/zinc/78/75/06/993787506.db2.gz MQTPVZOPCJEMLQ-GOEBONIOSA-N 2 2 424.376 3.816 20 0 HHADLP Cc1ccc(SC[C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000472876383 993802209 /nfs/dbraw/zinc/80/22/09/993802209.db2.gz PFVOVVUNJXBQMU-FQEVSTJZSA-N 2 2 418.651 3.725 20 0 HHADLP COc1ccc2ccccc2c1-c1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)on1 ZINC000481099374 993936869 /nfs/dbraw/zinc/93/68/69/993936869.db2.gz CCPGAVWMAJCFCH-UHFFFAOYSA-N 2 2 403.486 3.559 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189285 994021078 /nfs/dbraw/zinc/02/10/78/994021078.db2.gz MAXVRWZFSWIUGJ-OXJNMPFZSA-N 2 2 403.473 3.727 20 0 HHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000481303007 994118710 /nfs/dbraw/zinc/11/87/10/994118710.db2.gz AWZMAXIPUFRTRQ-NRFANRHFSA-N 2 2 408.590 3.894 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321911 994141206 /nfs/dbraw/zinc/14/12/06/994141206.db2.gz YOQXJXQYJVHTLQ-KCWXNJEJSA-N 2 2 413.631 3.673 20 0 HHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481421842 994255762 /nfs/dbraw/zinc/25/57/62/994255762.db2.gz RGSQNDNQXPVHGC-KRWDZBQOSA-N 2 2 404.938 3.910 20 0 HHADLP CC(C)C[C@@H](C)n1nccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000481462026 994296355 /nfs/dbraw/zinc/29/63/55/994296355.db2.gz HGXLUQHVQVNQKS-LJQANCHMSA-N 2 2 404.603 3.562 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000481556398 994389658 /nfs/dbraw/zinc/38/96/58/994389658.db2.gz ITTKDQNUEUZFHV-SZVBFZGTSA-N 2 2 424.372 3.628 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000481556398 994389663 /nfs/dbraw/zinc/38/96/63/994389663.db2.gz ITTKDQNUEUZFHV-SZVBFZGTSA-N 2 2 424.372 3.628 20 0 HHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000481558815 994393553 /nfs/dbraw/zinc/39/35/53/994393553.db2.gz RAEGVQGKXGKSEG-DLBZAZTESA-N 2 2 402.510 3.914 20 0 HHADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000481558815 994393565 /nfs/dbraw/zinc/39/35/65/994393565.db2.gz RAEGVQGKXGKSEG-DLBZAZTESA-N 2 2 402.510 3.914 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1F ZINC000481562367 994397374 /nfs/dbraw/zinc/39/73/74/994397374.db2.gz LJOOSUONYSDIHC-ZDUSSCGKSA-N 2 2 405.470 3.713 20 0 HHADLP O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000481760262 994613495 /nfs/dbraw/zinc/61/34/95/994613495.db2.gz ZQSUCZDAIWVYFI-UHFFFAOYSA-N 2 2 407.583 3.721 20 0 HHADLP O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000481760262 994613502 /nfs/dbraw/zinc/61/35/02/994613502.db2.gz ZQSUCZDAIWVYFI-UHFFFAOYSA-N 2 2 407.583 3.721 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000473944773 994920903 /nfs/dbraw/zinc/92/09/03/994920903.db2.gz LTJCYMHJWUAVPY-GZOXUSKESA-N 2 2 421.589 3.506 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000473944773 994920915 /nfs/dbraw/zinc/92/09/15/994920915.db2.gz LTJCYMHJWUAVPY-GZOXUSKESA-N 2 2 421.589 3.506 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023478 994937202 /nfs/dbraw/zinc/93/72/02/994937202.db2.gz AGWFFDOBEULSJY-JLSDUUJJSA-N 2 2 408.384 3.530 20 0 HHADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023478 994937213 /nfs/dbraw/zinc/93/72/13/994937213.db2.gz AGWFFDOBEULSJY-JLSDUUJJSA-N 2 2 408.384 3.530 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023455 994937633 /nfs/dbraw/zinc/93/76/33/994937633.db2.gz ACNJIZIBXAXEEU-IRXDYDNUSA-N 2 2 414.377 3.739 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482023455 994937642 /nfs/dbraw/zinc/93/76/42/994937642.db2.gz ACNJIZIBXAXEEU-IRXDYDNUSA-N 2 2 414.377 3.739 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032278 994949108 /nfs/dbraw/zinc/94/91/08/994949108.db2.gz OIYKWTAZKIPDAM-YKSBVNFPSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OCc2ccccc2)c1 ZINC000482032278 994949120 /nfs/dbraw/zinc/94/91/20/994949120.db2.gz OIYKWTAZKIPDAM-YKSBVNFPSA-N 2 2 409.574 3.859 20 0 HHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482128669 995078011 /nfs/dbraw/zinc/07/80/11/995078011.db2.gz QUZFEWYTZKYOOL-KRWDZBQOSA-N 2 2 416.953 3.523 20 0 HHADLP Brc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(N2CCOCC2)c1 ZINC000474350078 995329729 /nfs/dbraw/zinc/32/97/29/995329729.db2.gz KICULZNJJNGLOU-UHFFFAOYSA-N 2 2 419.367 3.663 20 0 HHADLP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000474551494 995517520 /nfs/dbraw/zinc/51/75/20/995517520.db2.gz CMRDYZSYYSEYML-LJQANCHMSA-N 2 2 400.611 3.740 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642050 995636702 /nfs/dbraw/zinc/63/67/02/995636702.db2.gz LVWVCCJUPBZSNW-NHYWBVRUSA-N 2 2 411.390 3.715 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000482642050 995636708 /nfs/dbraw/zinc/63/67/08/995636708.db2.gz LVWVCCJUPBZSNW-NHYWBVRUSA-N 2 2 411.390 3.715 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709809 995698392 /nfs/dbraw/zinc/69/83/92/995698392.db2.gz TVTUSVMANZISNF-NFBKMPQASA-N 2 2 422.573 3.657 20 0 HHADLP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736385 995715390 /nfs/dbraw/zinc/71/53/90/995715390.db2.gz OUUXEVQQBHSQOA-HJOGWXRNSA-N 2 2 407.558 3.782 20 0 HHADLP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736385 995715393 /nfs/dbraw/zinc/71/53/93/995715393.db2.gz OUUXEVQQBHSQOA-HJOGWXRNSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736385 995715398 /nfs/dbraw/zinc/71/53/98/995715398.db2.gz OUUXEVQQBHSQOA-HJOGWXRNSA-N 2 2 407.558 3.782 20 0 HHADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccccc1 ZINC000482736385 995715399 /nfs/dbraw/zinc/71/53/99/995715399.db2.gz OUUXEVQQBHSQOA-HJOGWXRNSA-N 2 2 407.558 3.782 20 0 HHADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3OCC3CC3)CC2)CC1 ZINC000482823190 995773076 /nfs/dbraw/zinc/77/30/76/995773076.db2.gz GEAXVWKOJLXBJT-UHFFFAOYSA-N 2 2 419.997 3.505 20 0 HHADLP COC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013083 995869886 /nfs/dbraw/zinc/86/98/86/995869886.db2.gz IHJFSFUHLFXFMI-AAPHQNIHSA-N 2 2 422.658 3.560 20 0 HHADLP COC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475013083 995869893 /nfs/dbraw/zinc/86/98/93/995869893.db2.gz IHJFSFUHLFXFMI-AAPHQNIHSA-N 2 2 422.658 3.560 20 0 HHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000483135762 995996561 /nfs/dbraw/zinc/99/65/61/995996561.db2.gz PUVNXPCJXIGZFS-ROUUACIJSA-N 2 2 416.587 3.975 20 0 HHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000483224681 996047000 /nfs/dbraw/zinc/04/70/00/996047000.db2.gz GBEDDEGGFZLVQD-UHFFFAOYSA-N 2 2 408.477 3.526 20 0 HHADLP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Br ZINC000483536024 996237844 /nfs/dbraw/zinc/23/78/44/996237844.db2.gz AWXAOHFDQAKZLN-UHFFFAOYSA-N 2 2 424.427 3.896 20 0 HHADLP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Br ZINC000483536024 996237850 /nfs/dbraw/zinc/23/78/50/996237850.db2.gz AWXAOHFDQAKZLN-UHFFFAOYSA-N 2 2 424.427 3.896 20 0 HHADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628245 996260823 /nfs/dbraw/zinc/26/08/23/996260823.db2.gz VYKINYQBNFJDFQ-ZENOOKHLSA-N 2 2 407.274 3.718 20 0 HHADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628245 996260828 /nfs/dbraw/zinc/26/08/28/996260828.db2.gz VYKINYQBNFJDFQ-ZENOOKHLSA-N 2 2 407.274 3.718 20 0 HHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000483715077 996345366 /nfs/dbraw/zinc/34/53/66/996345366.db2.gz PVTUJIJVVSRUNL-NRFANRHFSA-N 2 2 423.601 3.809 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751166 996348075 /nfs/dbraw/zinc/34/80/75/996348075.db2.gz VQJPDTYBQYJUJK-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475751166 996348077 /nfs/dbraw/zinc/34/80/77/996348077.db2.gz VQJPDTYBQYJUJK-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475751166 996348080 /nfs/dbraw/zinc/34/80/80/996348080.db2.gz VQJPDTYBQYJUJK-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475751166 996348084 /nfs/dbraw/zinc/34/80/84/996348084.db2.gz VQJPDTYBQYJUJK-LVXARBLLSA-N 2 2 421.585 3.688 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000484159696 996607923 /nfs/dbraw/zinc/60/79/23/996607923.db2.gz LJLNMPXPGDHHGR-MDKPJZGXSA-N 2 2 418.965 3.891 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000484159696 996607926 /nfs/dbraw/zinc/60/79/26/996607926.db2.gz LJLNMPXPGDHHGR-MDKPJZGXSA-N 2 2 418.965 3.891 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170657 996614637 /nfs/dbraw/zinc/61/46/37/996614637.db2.gz TVYMQMUXOQVZJE-MHECFPHRSA-N 2 2 408.521 3.607 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170657 996614641 /nfs/dbraw/zinc/61/46/41/996614641.db2.gz TVYMQMUXOQVZJE-MHECFPHRSA-N 2 2 408.521 3.607 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476333660 996762207 /nfs/dbraw/zinc/76/22/07/996762207.db2.gz DJPXKQPIMQBGDQ-DNVJHFABSA-N 2 2 413.606 3.608 20 0 HHADLP CN(C(=O)[C@@H]1CCCc2c(O)cccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476333660 996762220 /nfs/dbraw/zinc/76/22/20/996762220.db2.gz DJPXKQPIMQBGDQ-DNVJHFABSA-N 2 2 413.606 3.608 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000476813691 997369337 /nfs/dbraw/zinc/36/93/37/997369337.db2.gz BBDKRLFEKGGUPA-UXHICEINSA-N 2 2 415.622 3.610 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000476827323 997387573 /nfs/dbraw/zinc/38/75/73/997387573.db2.gz WDBKQPZNADKBSD-VQTJNVASSA-N 2 2 411.590 3.885 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000476854963 997423960 /nfs/dbraw/zinc/42/39/60/997423960.db2.gz PHTRWEBXGIUQSV-QHCPKHFHSA-N 2 2 421.589 3.782 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000476854963 997423969 /nfs/dbraw/zinc/42/39/69/997423969.db2.gz PHTRWEBXGIUQSV-QHCPKHFHSA-N 2 2 421.589 3.782 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000476956646 997572609 /nfs/dbraw/zinc/57/26/09/997572609.db2.gz XZROAQOLOLXFBN-UHFFFAOYSA-N 2 2 419.013 3.788 20 0 HHADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050186 997689798 /nfs/dbraw/zinc/68/97/98/997689798.db2.gz QRMKUTNRLVNFIR-IRLDBZIGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050186 997689806 /nfs/dbraw/zinc/68/98/06/997689806.db2.gz QRMKUTNRLVNFIR-IRLDBZIGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050186 997689811 /nfs/dbraw/zinc/68/98/11/997689811.db2.gz QRMKUTNRLVNFIR-IRLDBZIGSA-N 2 2 423.523 3.775 20 0 HHADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000477050186 997689823 /nfs/dbraw/zinc/68/98/23/997689823.db2.gz QRMKUTNRLVNFIR-IRLDBZIGSA-N 2 2 423.523 3.775 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338242 997755787 /nfs/dbraw/zinc/75/57/87/997755787.db2.gz NMVDVQFYULGHFR-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338242 997755799 /nfs/dbraw/zinc/75/57/99/997755799.db2.gz NMVDVQFYULGHFR-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338242 997755808 /nfs/dbraw/zinc/75/58/08/997755808.db2.gz NMVDVQFYULGHFR-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CC[C@@H]21 ZINC000485338242 997755818 /nfs/dbraw/zinc/75/58/18/997755818.db2.gz NMVDVQFYULGHFR-SFLYRZDNSA-N 2 2 411.977 3.962 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340031 997758581 /nfs/dbraw/zinc/75/85/81/997758581.db2.gz HPLVWJFQVRJIFG-VJTSUQJLSA-N 2 2 403.570 3.577 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340031 997758588 /nfs/dbraw/zinc/75/85/88/997758588.db2.gz HPLVWJFQVRJIFG-VJTSUQJLSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340031 997758594 /nfs/dbraw/zinc/75/85/94/997758594.db2.gz HPLVWJFQVRJIFG-VJTSUQJLSA-N 2 2 403.570 3.577 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC[C@@H]21 ZINC000485340031 997758604 /nfs/dbraw/zinc/75/86/04/997758604.db2.gz HPLVWJFQVRJIFG-VJTSUQJLSA-N 2 2 403.570 3.577 20 0 HHADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000485698282 998161403 /nfs/dbraw/zinc/16/14/03/998161403.db2.gz SHZNLSGFWPDYAF-SFHVURJKSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000485698282 998161407 /nfs/dbraw/zinc/16/14/07/998161407.db2.gz SHZNLSGFWPDYAF-SFHVURJKSA-N 2 2 410.543 3.605 20 0 HHADLP O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000477490205 998211062 /nfs/dbraw/zinc/21/10/62/998211062.db2.gz LUMUSBKSVFTKRC-UHFFFAOYSA-N 2 2 417.475 3.629 20 0 HHADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000485821269 998287906 /nfs/dbraw/zinc/28/79/06/998287906.db2.gz UZGHZOLYWDZSDZ-NFBKMPQASA-N 2 2 420.561 3.992 20 0 HHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485829847 998296760 /nfs/dbraw/zinc/29/67/60/998296760.db2.gz QVLBCWOPKALQTL-UHFFFAOYSA-N 2 2 402.340 3.524 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486160610 998609830 /nfs/dbraw/zinc/60/98/30/998609830.db2.gz WAXAFGIFJULRSY-CBPXPLCBSA-N 2 2 419.560 3.831 20 0 HHADLP CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486160610 998609834 /nfs/dbraw/zinc/60/98/34/998609834.db2.gz WAXAFGIFJULRSY-CBPXPLCBSA-N 2 2 419.560 3.831 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478053216 998737889 /nfs/dbraw/zinc/73/78/89/998737889.db2.gz KXAFMDRQZCUBPI-GOSISDBHSA-N 2 2 403.567 3.619 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478053216 998737891 /nfs/dbraw/zinc/73/78/91/998737891.db2.gz KXAFMDRQZCUBPI-GOSISDBHSA-N 2 2 403.567 3.619 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000478411023 998943072 /nfs/dbraw/zinc/94/30/72/998943072.db2.gz MBSCUZSXHXDIAR-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000478411023 998943076 /nfs/dbraw/zinc/94/30/76/998943076.db2.gz MBSCUZSXHXDIAR-KDURUIRLSA-N 2 2 402.583 3.539 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Br)C2CCCC2)CC1 ZINC000486804946 998947551 /nfs/dbraw/zinc/94/75/51/998947551.db2.gz SRUVTMBCOJYZGF-UHFFFAOYSA-N 2 2 422.411 3.794 20 0 HHADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Br)C2CCCC2)CC1 ZINC000486804946 998947553 /nfs/dbraw/zinc/94/75/53/998947553.db2.gz SRUVTMBCOJYZGF-UHFFFAOYSA-N 2 2 422.411 3.794 20 0 HHADLP C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000487881484 999303223 /nfs/dbraw/zinc/30/32/23/999303223.db2.gz ADNWZGRDIVGKPJ-RUZDIDTESA-N 2 2 421.589 3.926 20 0 HHADLP C[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[N@H+]1Cc1ccccc1 ZINC000487881484 999303227 /nfs/dbraw/zinc/30/32/27/999303227.db2.gz ADNWZGRDIVGKPJ-RUZDIDTESA-N 2 2 421.589 3.926 20 0 HHADLP Cc1cc(N2CCN(C(=O)C[NH2+][C@H](C)c3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000487934076 999320625 /nfs/dbraw/zinc/32/06/25/999320625.db2.gz VXZBJTRUVJXLBR-QGZVFWFLSA-N 2 2 415.969 3.561 20 0 HHADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479329831 999388363 /nfs/dbraw/zinc/38/83/63/999388363.db2.gz WBPJFZBBFXIICP-JTQLQIEISA-N 2 2 408.395 3.601 20 0 HHADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479475969 999433080 /nfs/dbraw/zinc/43/30/80/999433080.db2.gz ALWPBHZESIYHBV-TVRCVXMWSA-N 2 2 411.512 3.821 20 0 HHADLP CC(=O)N1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc2C1 ZINC000479478633 999434762 /nfs/dbraw/zinc/43/47/62/999434762.db2.gz WJZKEHNSAZZLED-GRERDSQWSA-N 2 2 409.496 3.875 20 0 HHADLP Cc1cc(F)ccc1C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000488507828 999512040 /nfs/dbraw/zinc/51/20/40/999512040.db2.gz RRCCWRONKJVSFN-UHFFFAOYSA-N 2 2 416.585 3.582 20 0 HHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000479875517 999632908 /nfs/dbraw/zinc/63/29/08/999632908.db2.gz QZAMBODZPNCKNG-OYDLWJJNSA-N 2 2 408.590 3.727 20 0 HHADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCC1 ZINC000479875517 999632912 /nfs/dbraw/zinc/63/29/12/999632912.db2.gz QZAMBODZPNCKNG-OYDLWJJNSA-N 2 2 408.590 3.727 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147339 999711736 /nfs/dbraw/zinc/71/17/36/999711736.db2.gz KCGOLTUHLQBRGW-VXKWHMMOSA-N 2 2 400.611 3.702 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147339 999711739 /nfs/dbraw/zinc/71/17/39/999711739.db2.gz KCGOLTUHLQBRGW-VXKWHMMOSA-N 2 2 400.611 3.702 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147391 999711801 /nfs/dbraw/zinc/71/18/01/999711801.db2.gz KNQVBMAMPDYXEP-FGZHOGPDSA-N 2 2 416.610 3.668 20 0 HHADLP CN(C(=O)c1ccc(OC(C)(C)C)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147391 999711803 /nfs/dbraw/zinc/71/18/03/999711803.db2.gz KNQVBMAMPDYXEP-FGZHOGPDSA-N 2 2 416.610 3.668 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000480089236 999714241 /nfs/dbraw/zinc/71/42/41/999714241.db2.gz UKMKJFCPPYKOIG-CYFREDJKSA-N 2 2 406.530 3.605 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201820 999721291 /nfs/dbraw/zinc/72/12/91/999721291.db2.gz YPSWWHQYZVDLAF-HLIPFELVSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489201820 999721292 /nfs/dbraw/zinc/72/12/92/999721292.db2.gz YPSWWHQYZVDLAF-HLIPFELVSA-N 2 2 420.479 3.664 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000489255197 999731343 /nfs/dbraw/zinc/73/13/43/999731343.db2.gz LOCXQUNPDXAHQV-NRFANRHFSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000489255197 999731346 /nfs/dbraw/zinc/73/13/46/999731346.db2.gz LOCXQUNPDXAHQV-NRFANRHFSA-N 2 2 408.590 3.676 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000489332579 999747291 /nfs/dbraw/zinc/74/72/91/999747291.db2.gz TUEWFIHKOSNQTO-KNQAVFIVSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000489332579 999747293 /nfs/dbraw/zinc/74/72/93/999747293.db2.gz TUEWFIHKOSNQTO-KNQAVFIVSA-N 2 2 422.573 3.648 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000489335843 999747925 /nfs/dbraw/zinc/74/79/25/999747925.db2.gz ZQCCCKAXVOTMQQ-FQEVSTJZSA-N 2 2 406.574 3.988 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000489335843 999747928 /nfs/dbraw/zinc/74/79/28/999747928.db2.gz ZQCCCKAXVOTMQQ-FQEVSTJZSA-N 2 2 406.574 3.988 20 0 HHADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489378497 999754822 /nfs/dbraw/zinc/75/48/22/999754822.db2.gz JEJHCRNAVADVJK-UHFFFAOYSA-N 2 2 417.557 3.732 20 0 HHADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000480356936 999779081 /nfs/dbraw/zinc/77/90/81/999779081.db2.gz VNGTUVQZTSGMJL-AABGKKOBSA-N 2 2 402.583 3.682 20 0 HHADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCCO2 ZINC000489573007 999795039 /nfs/dbraw/zinc/79/50/39/999795039.db2.gz PDKVOUCIEHUVCW-FQEVSTJZSA-N 2 2 400.954 3.799 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000490123867 999896464 /nfs/dbraw/zinc/89/64/64/999896464.db2.gz GJFFKTLTOFWUTQ-RUZDIDTESA-N 2 2 421.564 3.576 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490248667 999921338 /nfs/dbraw/zinc/92/13/38/999921338.db2.gz SRVVQAQYXCCELW-WOJBJXKFSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490248667 999921340 /nfs/dbraw/zinc/92/13/40/999921340.db2.gz SRVVQAQYXCCELW-WOJBJXKFSA-N 2 2 422.545 3.545 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(-c4ccco4)cc3F)CC2)CC1 ZINC000490522868 999971755 /nfs/dbraw/zinc/97/17/55/999971755.db2.gz CHVSUYBVYILCFL-UHFFFAOYSA-N 2 2 400.498 3.766 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998366 1000032099 /nfs/dbraw/zinc/03/20/99/1000032099.db2.gz UPZGOFWFXZFXRW-OTPAQWSUSA-N 2 2 420.601 3.638 20 0 HHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998366 1000032101 /nfs/dbraw/zinc/03/21/01/1000032101.db2.gz UPZGOFWFXZFXRW-OTPAQWSUSA-N 2 2 420.601 3.638 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[NH+]2CCCC2)cc1 ZINC000491976916 1000102938 /nfs/dbraw/zinc/10/29/38/1000102938.db2.gz JEOUAEPMHXQYQM-NRFANRHFSA-N 2 2 404.518 3.593 20 0 HHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492207317 1000115249 /nfs/dbraw/zinc/11/52/49/1000115249.db2.gz FGTLMYWYQBYQJZ-OAQYLSRUSA-N 2 2 406.534 3.605 20 0 HHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492207317 1000115251 /nfs/dbraw/zinc/11/52/51/1000115251.db2.gz FGTLMYWYQBYQJZ-OAQYLSRUSA-N 2 2 406.534 3.605 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2cccs2)CC1 ZINC000492272271 1000119442 /nfs/dbraw/zinc/11/94/42/1000119442.db2.gz QLAKTQTZDLYVQW-LJQANCHMSA-N 2 2 424.574 3.983 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916711 1000212475 /nfs/dbraw/zinc/21/24/75/1000212475.db2.gz MLAVKXKQGXXIDU-DLBZAZTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916711 1000212481 /nfs/dbraw/zinc/21/24/81/1000212481.db2.gz MLAVKXKQGXXIDU-DLBZAZTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916711 1000212485 /nfs/dbraw/zinc/21/24/85/1000212485.db2.gz MLAVKXKQGXXIDU-DLBZAZTESA-N 2 2 405.612 3.713 20 0 HHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2)C1 ZINC000493916711 1000212491 /nfs/dbraw/zinc/21/24/91/1000212491.db2.gz MLAVKXKQGXXIDU-DLBZAZTESA-N 2 2 405.612 3.713 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000504474966 1000224598 /nfs/dbraw/zinc/22/45/98/1000224598.db2.gz HWZNOJDSABNWAO-IBGZPJMESA-N 2 2 408.384 3.575 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000504890085 1000431257 /nfs/dbraw/zinc/43/12/57/1000431257.db2.gz SZDOMZBBCNOMCD-VGOFRKELSA-N 2 2 414.981 3.689 20 0 HHADLP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000504890085 1000431262 /nfs/dbraw/zinc/43/12/62/1000431262.db2.gz SZDOMZBBCNOMCD-VGOFRKELSA-N 2 2 414.981 3.689 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)c1 ZINC000494342270 1000442546 /nfs/dbraw/zinc/44/25/46/1000442546.db2.gz WDGZMRHMFRDXEE-MJUUVYJYSA-N 2 2 402.546 3.736 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)c1 ZINC000494342270 1000442549 /nfs/dbraw/zinc/44/25/49/1000442549.db2.gz WDGZMRHMFRDXEE-MJUUVYJYSA-N 2 2 402.546 3.736 20 0 HHADLP CCCOc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000494425970 1000486316 /nfs/dbraw/zinc/48/63/16/1000486316.db2.gz NZFAOKRGIOCXSQ-HNNXBMFYSA-N 2 2 408.340 3.938 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000494997726 1000770319 /nfs/dbraw/zinc/77/03/19/1000770319.db2.gz NYQHCMDBWFUQGO-AVRDEDQJSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000494997726 1000770324 /nfs/dbraw/zinc/77/03/24/1000770324.db2.gz NYQHCMDBWFUQGO-AVRDEDQJSA-N 2 2 406.555 3.825 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000505527084 1000872182 /nfs/dbraw/zinc/87/21/82/1000872182.db2.gz RMTLMDRUECDBKB-GBXCKJPGSA-N 2 2 407.558 3.565 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000505527084 1000872197 /nfs/dbraw/zinc/87/21/97/1000872197.db2.gz RMTLMDRUECDBKB-GBXCKJPGSA-N 2 2 407.558 3.565 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506032659 1001178105 /nfs/dbraw/zinc/17/81/05/1001178105.db2.gz RPFBMCZBGADOIC-SFHVURJKSA-N 2 2 407.986 3.800 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC[NH+]3CCCCCC3)c2c1C ZINC000506061690 1001199305 /nfs/dbraw/zinc/19/93/05/1001199305.db2.gz PQOVWGRWWNRDFJ-UHFFFAOYSA-N 2 2 419.595 3.526 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000506368353 1001382005 /nfs/dbraw/zinc/38/20/05/1001382005.db2.gz IRUOZYHILZZKCG-WOJBJXKFSA-N 2 2 410.562 3.549 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000506368353 1001382009 /nfs/dbraw/zinc/38/20/09/1001382009.db2.gz IRUOZYHILZZKCG-WOJBJXKFSA-N 2 2 410.562 3.549 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506433684 1001410231 /nfs/dbraw/zinc/41/02/31/1001410231.db2.gz GXIUGXYCRJZMMV-UHFFFAOYSA-N 2 2 423.520 3.932 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497643574 1001469991 /nfs/dbraw/zinc/46/99/91/1001469991.db2.gz RQEQIWMFYMPMPX-LPTQZCDUSA-N 2 2 419.520 3.629 20 0 HHADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497643574 1001469994 /nfs/dbraw/zinc/46/99/94/1001469994.db2.gz RQEQIWMFYMPMPX-LPTQZCDUSA-N 2 2 419.520 3.629 20 0 HHADLP CN(CC[NH+]1CCCC1)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000497717626 1001494149 /nfs/dbraw/zinc/49/41/49/1001494149.db2.gz SOGZILZPAHUSFQ-UHFFFAOYSA-N 2 2 417.557 3.836 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928674 1001598668 /nfs/dbraw/zinc/59/86/68/1001598668.db2.gz BDKZDXSPYVXYEM-GGAORHGYSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928674 1001598672 /nfs/dbraw/zinc/59/86/72/1001598672.db2.gz BDKZDXSPYVXYEM-GGAORHGYSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930318 1001599205 /nfs/dbraw/zinc/59/92/05/1001599205.db2.gz HERJYLPRXXCKSB-REWPJTCUSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000506930318 1001599209 /nfs/dbraw/zinc/59/92/09/1001599209.db2.gz HERJYLPRXXCKSB-REWPJTCUSA-N 2 2 409.578 3.727 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(C)C ZINC000507052974 1001783390 /nfs/dbraw/zinc/78/33/90/1001783390.db2.gz KJSLFZVLZNBZIJ-TZIWHRDSSA-N 2 2 403.615 3.865 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507092127 1001802433 /nfs/dbraw/zinc/80/24/33/1001802433.db2.gz ZSXAZKRQIQXIEU-QFIPXVFZSA-N 2 2 421.589 3.904 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC(C)(C)c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000498422467 1001851951 /nfs/dbraw/zinc/85/19/51/1001851951.db2.gz LDZIGCJQMRLNFP-UHFFFAOYSA-N 2 2 407.002 3.825 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203445 1001891550 /nfs/dbraw/zinc/89/15/50/1001891550.db2.gz JDKPKDRMFKEZFD-YADHBBJMSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507203445 1001891569 /nfs/dbraw/zinc/89/15/69/1001891569.db2.gz JDKPKDRMFKEZFD-YADHBBJMSA-N 2 2 421.589 3.773 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300566 1001983110 /nfs/dbraw/zinc/98/31/10/1001983110.db2.gz CDJHVMKSLBRHNC-BAGYTPMASA-N 2 2 421.589 3.944 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507300566 1001983104 /nfs/dbraw/zinc/98/31/04/1001983104.db2.gz CDJHVMKSLBRHNC-BAGYTPMASA-N 2 2 421.589 3.944 20 0 HHADLP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378908 1002035204 /nfs/dbraw/zinc/03/52/04/1002035204.db2.gz HBUWRPBMDIJKES-QFBILLFUSA-N 2 2 410.965 3.647 20 0 HHADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378908 1002035193 /nfs/dbraw/zinc/03/51/93/1002035193.db2.gz HBUWRPBMDIJKES-QFBILLFUSA-N 2 2 410.965 3.647 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382068 1002037471 /nfs/dbraw/zinc/03/74/71/1002037471.db2.gz VFXJURUQSGPQRA-GOSISDBHSA-N 2 2 416.616 3.510 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382068 1002037482 /nfs/dbraw/zinc/03/74/82/1002037482.db2.gz VFXJURUQSGPQRA-GOSISDBHSA-N 2 2 416.616 3.510 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000507470803 1002091264 /nfs/dbraw/zinc/09/12/64/1002091264.db2.gz NQEHLBOPGUHTFI-STZQEDGTSA-N 2 2 418.990 3.614 20 0 HHADLP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000507470803 1002091250 /nfs/dbraw/zinc/09/12/50/1002091250.db2.gz NQEHLBOPGUHTFI-STZQEDGTSA-N 2 2 418.990 3.614 20 0 HHADLP Cc1ccc(-c2nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)c(C)c1 ZINC000498780841 1002166132 /nfs/dbraw/zinc/16/61/32/1002166132.db2.gz QFVITAXJRDQGMX-UHFFFAOYSA-N 2 2 400.592 3.525 20 0 HHADLP Cc1ccc(-c2nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)c(C)c1 ZINC000498780841 1002166139 /nfs/dbraw/zinc/16/61/39/1002166139.db2.gz QFVITAXJRDQGMX-UHFFFAOYSA-N 2 2 400.592 3.525 20 0 HHADLP CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000499022178 1002398576 /nfs/dbraw/zinc/39/85/76/1002398576.db2.gz ZIVHMIXZADIBAU-UHFFFAOYSA-N 2 2 413.587 3.705 20 0 HHADLP CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000499022178 1002398589 /nfs/dbraw/zinc/39/85/89/1002398589.db2.gz ZIVHMIXZADIBAU-UHFFFAOYSA-N 2 2 413.587 3.705 20 0 HHADLP O=C(NCCCCC[NH+]1CCCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000508107152 1002632398 /nfs/dbraw/zinc/63/23/98/1002632398.db2.gz SGLZSFGLFOSJHT-HXUWFJFHSA-N 2 2 422.411 3.968 20 0 HHADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000508691689 1003129747 /nfs/dbraw/zinc/12/97/47/1003129747.db2.gz OSECJKHZHDUGSR-CQSZACIVSA-N 2 2 408.340 3.655 20 0 HHADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000508691689 1003129752 /nfs/dbraw/zinc/12/97/52/1003129752.db2.gz OSECJKHZHDUGSR-CQSZACIVSA-N 2 2 408.340 3.655 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000500097935 1003460216 /nfs/dbraw/zinc/46/02/16/1003460216.db2.gz KAEIILGTWLSAFX-UHFFFAOYSA-N 2 2 407.562 3.667 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(C)c1 ZINC000500103819 1003465478 /nfs/dbraw/zinc/46/54/78/1003465478.db2.gz DVKWAIFGCDFQBM-PKTZIBPZSA-N 2 2 423.536 3.982 20 0 HHADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2NC1=O ZINC000509020137 1003493191 /nfs/dbraw/zinc/49/31/91/1003493191.db2.gz BYUNMOSZARADIB-XXBNENTESA-N 2 2 422.573 3.659 20 0 HHADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000509023629 1003494850 /nfs/dbraw/zinc/49/48/50/1003494850.db2.gz RMTRZGXDQCNBAO-GOSISDBHSA-N 2 2 401.526 3.706 20 0 HHADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511845021 1003822993 /nfs/dbraw/zinc/82/29/93/1003822993.db2.gz VCDQGTFSXNPVGM-GOSISDBHSA-N 2 2 411.575 3.609 20 0 HHADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511845021 1003823010 /nfs/dbraw/zinc/82/30/10/1003823010.db2.gz VCDQGTFSXNPVGM-GOSISDBHSA-N 2 2 411.575 3.609 20 0 HHADLP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1)C1CC1 ZINC000512122239 1004038172 /nfs/dbraw/zinc/03/81/72/1004038172.db2.gz KYHRWOCXEHNRHT-UHFFFAOYSA-N 2 2 406.574 3.671 20 0 HHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1)C1CC1 ZINC000512122239 1004038179 /nfs/dbraw/zinc/03/81/79/1004038179.db2.gz KYHRWOCXEHNRHT-UHFFFAOYSA-N 2 2 406.574 3.671 20 0 HHADLP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(Br)c1 ZINC000512132675 1004045885 /nfs/dbraw/zinc/04/58/85/1004045885.db2.gz WMVFHDFBNZNPIK-MRXNPFEDSA-N 2 2 419.363 3.968 20 0 HHADLP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(Br)c1 ZINC000512132675 1004045894 /nfs/dbraw/zinc/04/58/94/1004045894.db2.gz WMVFHDFBNZNPIK-MRXNPFEDSA-N 2 2 419.363 3.968 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000509716074 1004048422 /nfs/dbraw/zinc/04/84/22/1004048422.db2.gz XFZKGMLSEGEUMU-QFIPXVFZSA-N 2 2 407.562 3.536 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)s1 ZINC000512143209 1004054060 /nfs/dbraw/zinc/05/40/60/1004054060.db2.gz DTVLCNLEOMTCRL-LJQANCHMSA-N 2 2 423.026 3.800 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000509759672 1004076464 /nfs/dbraw/zinc/07/64/64/1004076464.db2.gz CWGQIZSLXLLZPO-IFMALSPDSA-N 2 2 417.557 3.972 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000509759672 1004076479 /nfs/dbraw/zinc/07/64/79/1004076479.db2.gz CWGQIZSLXLLZPO-IFMALSPDSA-N 2 2 417.557 3.972 20 0 HHADLP CC(C)[NH+]1CCN(CCCN[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC1 ZINC000501005235 1004110403 /nfs/dbraw/zinc/11/04/03/1004110403.db2.gz AQDAXFQCYCYUFF-HSZRJFAPSA-N 2 2 422.608 3.886 20 0 HHADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501008354 1004113478 /nfs/dbraw/zinc/11/34/78/1004113478.db2.gz RJDHCUIIJSJDJW-APWZRJJASA-N 2 2 410.965 3.790 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000501086411 1004192359 /nfs/dbraw/zinc/19/23/59/1004192359.db2.gz JXHRCGPZVPUJKY-RGXPITOMSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000501086411 1004192364 /nfs/dbraw/zinc/19/23/64/1004192364.db2.gz JXHRCGPZVPUJKY-RGXPITOMSA-N 2 2 416.516 3.701 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293646 1004197191 /nfs/dbraw/zinc/19/71/91/1004197191.db2.gz SZCBLDVLCIFWNL-WZOHSFFVSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512293646 1004197196 /nfs/dbraw/zinc/19/71/96/1004197196.db2.gz SZCBLDVLCIFWNL-WZOHSFFVSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512293646 1004197200 /nfs/dbraw/zinc/19/72/00/1004197200.db2.gz SZCBLDVLCIFWNL-WZOHSFFVSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512293646 1004197204 /nfs/dbraw/zinc/19/72/04/1004197204.db2.gz SZCBLDVLCIFWNL-WZOHSFFVSA-N 2 2 409.549 3.989 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000509908558 1004201052 /nfs/dbraw/zinc/20/10/52/1004201052.db2.gz IJDHDEYWUNBMSW-KHQYNDFOSA-N 2 2 422.013 3.856 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000509908558 1004201060 /nfs/dbraw/zinc/20/10/60/1004201060.db2.gz IJDHDEYWUNBMSW-KHQYNDFOSA-N 2 2 422.013 3.856 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512355064 1004241858 /nfs/dbraw/zinc/24/18/58/1004241858.db2.gz PWVWCQDPYYLJHO-UHFFFAOYSA-N 2 2 400.324 3.977 20 0 HHADLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(Cl)c1OC ZINC000512379339 1004258566 /nfs/dbraw/zinc/25/85/66/1004258566.db2.gz GTUKXEBWCLRVIS-UHFFFAOYSA-N 2 2 403.954 3.891 20 0 HHADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(Cl)c1OC ZINC000512379339 1004258574 /nfs/dbraw/zinc/25/85/74/1004258574.db2.gz GTUKXEBWCLRVIS-UHFFFAOYSA-N 2 2 403.954 3.891 20 0 HHADLP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1)c1ccccc1 ZINC000512430893 1004297521 /nfs/dbraw/zinc/29/75/21/1004297521.db2.gz VPCVRFJPOSVRSL-PZJWPPBQSA-N 2 2 407.562 3.623 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000512434791 1004300399 /nfs/dbraw/zinc/30/03/99/1004300399.db2.gz BJCJBTUCOMEASU-YMPZKCBVSA-N 2 2 423.605 3.685 20 0 HHADLP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000512434791 1004300410 /nfs/dbraw/zinc/30/04/10/1004300410.db2.gz BJCJBTUCOMEASU-YMPZKCBVSA-N 2 2 423.605 3.685 20 0 HHADLP CCOC(=O)C(C)(C)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000510080221 1004309122 /nfs/dbraw/zinc/30/91/22/1004309122.db2.gz YINZTWJXFLRDOZ-JOCHJYFZSA-N 2 2 402.579 3.579 20 0 HHADLP CCOC(=O)C(C)(C)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000510080221 1004309130 /nfs/dbraw/zinc/30/91/30/1004309130.db2.gz YINZTWJXFLRDOZ-JOCHJYFZSA-N 2 2 402.579 3.579 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3occc3CSc3ccccc3)CC2)CC1 ZINC000501255961 1004317684 /nfs/dbraw/zinc/31/76/84/1004317684.db2.gz FCBKVHPOQCTSOV-UHFFFAOYSA-N 2 2 413.587 3.860 20 0 HHADLP Ic1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000510177737 1004377721 /nfs/dbraw/zinc/37/77/21/1004377721.db2.gz VOKCAFLUMHKBNZ-UHFFFAOYSA-N 2 2 413.328 3.633 20 0 HHADLP COCCCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000512581351 1004398719 /nfs/dbraw/zinc/39/87/19/1004398719.db2.gz HKPJMEIJUODCDC-UHFFFAOYSA-N 2 2 417.981 3.797 20 0 HHADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](CC)CC)cc3)CC2)cc1 ZINC000512739661 1004530172 /nfs/dbraw/zinc/53/01/72/1004530172.db2.gz VDJPOOXTHHCBNX-UHFFFAOYSA-N 2 2 409.574 3.885 20 0 HHADLP CC(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000512834085 1004592622 /nfs/dbraw/zinc/59/26/22/1004592622.db2.gz OFDPWKSVJJSKTC-QFIPXVFZSA-N 2 2 418.541 3.978 20 0 HHADLP CC(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000512834085 1004592638 /nfs/dbraw/zinc/59/26/38/1004592638.db2.gz OFDPWKSVJJSKTC-QFIPXVFZSA-N 2 2 418.541 3.978 20 0 HHADLP C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510511295 1004634509 /nfs/dbraw/zinc/63/45/09/1004634509.db2.gz KYCSDTJLZHYZJH-DNVCBOLYSA-N 2 2 408.949 3.566 20 0 HHADLP C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510511295 1004634512 /nfs/dbraw/zinc/63/45/12/1004634512.db2.gz KYCSDTJLZHYZJH-DNVCBOLYSA-N 2 2 408.949 3.566 20 0 HHADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510576585 1004723023 /nfs/dbraw/zinc/72/30/23/1004723023.db2.gz DKYDODHYRWVZRU-IYWMVGAKSA-N 2 2 402.583 3.538 20 0 HHADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510576585 1004723026 /nfs/dbraw/zinc/72/30/26/1004723026.db2.gz DKYDODHYRWVZRU-IYWMVGAKSA-N 2 2 402.583 3.538 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000501827155 1004762321 /nfs/dbraw/zinc/76/23/21/1004762321.db2.gz ZMCHBUUKCYIKHK-INIZCTEOSA-N 2 2 413.965 3.877 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000501827155 1004762329 /nfs/dbraw/zinc/76/23/29/1004762329.db2.gz ZMCHBUUKCYIKHK-INIZCTEOSA-N 2 2 413.965 3.877 20 0 HHADLP Brc1cccc(N2CC[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000513052185 1004780486 /nfs/dbraw/zinc/78/04/86/1004780486.db2.gz PMCVNODNWCCLOY-QGZVFWFLSA-N 2 2 415.379 3.929 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501877026 1004792000 /nfs/dbraw/zinc/79/20/00/1004792000.db2.gz ZBAKGOFEHVBYTI-KKTRPPJXSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501877026 1004792004 /nfs/dbraw/zinc/79/20/04/1004792004.db2.gz ZBAKGOFEHVBYTI-KKTRPPJXSA-N 2 2 424.511 3.507 20 0 HHADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC[C@@H](CC)[NH+]3CCCC3)c2c1C ZINC000513166675 1004841122 /nfs/dbraw/zinc/84/11/22/1004841122.db2.gz QSKGRLDFJSPRPE-OAHLLOKOSA-N 2 2 419.595 3.524 20 0 HHADLP Cc1cccc(CC2(O)CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000510800322 1004860293 /nfs/dbraw/zinc/86/02/93/1004860293.db2.gz WJAPOVNFTXZWML-UHFFFAOYSA-N 2 2 407.602 3.577 20 0 HHADLP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000513228534 1004871171 /nfs/dbraw/zinc/87/11/71/1004871171.db2.gz YACTYQCXCPPTSP-HXUWFJFHSA-N 2 2 404.480 3.933 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502163904 1004932306 /nfs/dbraw/zinc/93/23/06/1004932306.db2.gz WZHRIYLHQMLGRH-GOSISDBHSA-N 2 2 411.550 3.571 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000502234623 1004971055 /nfs/dbraw/zinc/97/10/55/1004971055.db2.gz SYVOXSPZWJOMKB-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000502234623 1004971060 /nfs/dbraw/zinc/97/10/60/1004971060.db2.gz SYVOXSPZWJOMKB-KDURUIRLSA-N 2 2 402.583 3.682 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511048118 1004996917 /nfs/dbraw/zinc/99/69/17/1004996917.db2.gz XFDHZWYUYSURAU-SOAGJPPSSA-N 2 2 407.986 3.610 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511048118 1004996923 /nfs/dbraw/zinc/99/69/23/1004996923.db2.gz XFDHZWYUYSURAU-SOAGJPPSSA-N 2 2 407.986 3.610 20 0 HHADLP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)no1 ZINC000502316055 1005007942 /nfs/dbraw/zinc/00/79/42/1005007942.db2.gz BLTXMYYFIWFWGJ-LJQANCHMSA-N 2 2 407.518 3.869 20 0 HHADLP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)no1 ZINC000502316055 1005007949 /nfs/dbraw/zinc/00/79/49/1005007949.db2.gz BLTXMYYFIWFWGJ-LJQANCHMSA-N 2 2 407.518 3.869 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323386 1005011944 /nfs/dbraw/zinc/01/19/44/1005011944.db2.gz VUXKUJIYBGXBAP-FQEVSTJZSA-N 2 2 405.546 3.912 20 0 HHADLP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502323386 1005011950 /nfs/dbraw/zinc/01/19/50/1005011950.db2.gz VUXKUJIYBGXBAP-FQEVSTJZSA-N 2 2 405.546 3.912 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323830 1005012419 /nfs/dbraw/zinc/01/24/19/1005012419.db2.gz XVADQIZFMZPOMG-QGZVFWFLSA-N 2 2 405.502 3.718 20 0 HHADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502323830 1005012425 /nfs/dbraw/zinc/01/24/25/1005012425.db2.gz XVADQIZFMZPOMG-QGZVFWFLSA-N 2 2 405.502 3.718 20 0 HHADLP Cc1nc(COc2ccc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc2)cs1 ZINC000513690985 1005083880 /nfs/dbraw/zinc/08/38/80/1005083880.db2.gz PDXVFTSPQOORJA-QFIPXVFZSA-N 2 2 414.619 3.632 20 0 HHADLP Cc1nc(COc2ccc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc2)cs1 ZINC000513690985 1005083886 /nfs/dbraw/zinc/08/38/86/1005083886.db2.gz PDXVFTSPQOORJA-QFIPXVFZSA-N 2 2 414.619 3.632 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)s1 ZINC000511246810 1005089552 /nfs/dbraw/zinc/08/95/52/1005089552.db2.gz HLEKTKZLHJOUPD-OALUTQOASA-N 2 2 418.651 3.791 20 0 HHADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000511246810 1005089556 /nfs/dbraw/zinc/08/95/56/1005089556.db2.gz HLEKTKZLHJOUPD-OALUTQOASA-N 2 2 418.651 3.791 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000511521933 1005209613 /nfs/dbraw/zinc/20/96/13/1005209613.db2.gz QXVQTYUUABSPAO-DAXSKMNVSA-N 2 2 421.610 3.707 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000511581006 1005232944 /nfs/dbraw/zinc/23/29/44/1005232944.db2.gz OTXPRXHYPQQKDE-SLFFLAALSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000511581006 1005232949 /nfs/dbraw/zinc/23/29/49/1005232949.db2.gz OTXPRXHYPQQKDE-SLFFLAALSA-N 2 2 402.583 3.539 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000514157279 1005293361 /nfs/dbraw/zinc/29/33/61/1005293361.db2.gz CRHUFBGPZDJDDM-LJQANCHMSA-N 2 2 413.522 3.709 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000514167457 1005296755 /nfs/dbraw/zinc/29/67/55/1005296755.db2.gz OCZYEUDJLUSCJS-MOPGFXCFSA-N 2 2 406.958 3.918 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000511802643 1005335952 /nfs/dbraw/zinc/33/59/52/1005335952.db2.gz SCRVZZQRXURGIV-HSZRJFAPSA-N 2 2 402.542 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000511802643 1005335957 /nfs/dbraw/zinc/33/59/57/1005335957.db2.gz SCRVZZQRXURGIV-HSZRJFAPSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073938 1005338548 /nfs/dbraw/zinc/33/85/48/1005338548.db2.gz IZIRHGNTHQIEQE-APWZRJJASA-N 2 2 423.542 3.719 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073938 1005338554 /nfs/dbraw/zinc/33/85/54/1005338554.db2.gz IZIRHGNTHQIEQE-APWZRJJASA-N 2 2 423.542 3.719 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503075488 1005339774 /nfs/dbraw/zinc/33/97/74/1005339774.db2.gz VBDDNZOMPJHESZ-MBSDFSHPSA-N 2 2 403.530 3.563 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503075488 1005339779 /nfs/dbraw/zinc/33/97/79/1005339779.db2.gz VBDDNZOMPJHESZ-MBSDFSHPSA-N 2 2 403.530 3.563 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCCc2ccccc21 ZINC000503367142 1005399498 /nfs/dbraw/zinc/39/94/98/1005399498.db2.gz AANHZFSLMNXGNW-REWPJTCUSA-N 2 2 406.574 3.935 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCCc2ccccc21 ZINC000503367142 1005399500 /nfs/dbraw/zinc/39/95/00/1005399500.db2.gz AANHZFSLMNXGNW-REWPJTCUSA-N 2 2 406.574 3.935 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371682 1005400624 /nfs/dbraw/zinc/40/06/24/1005400624.db2.gz UGHBURANMLEYED-IAVIKHRSSA-N 2 2 410.606 3.872 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503371682 1005400627 /nfs/dbraw/zinc/40/06/27/1005400627.db2.gz UGHBURANMLEYED-IAVIKHRSSA-N 2 2 410.606 3.872 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000503394244 1005406871 /nfs/dbraw/zinc/40/68/71/1005406871.db2.gz ZOUWZXCZOIVCGS-UHFFFAOYSA-N 2 2 401.942 3.548 20 0 HHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437804 1005420351 /nfs/dbraw/zinc/42/03/51/1005420351.db2.gz YFONHBFJPHOPFW-MSOLQXFVSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437804 1005420353 /nfs/dbraw/zinc/42/03/53/1005420353.db2.gz YFONHBFJPHOPFW-MSOLQXFVSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437807 1005420395 /nfs/dbraw/zinc/42/03/95/1005420395.db2.gz YFONHBFJPHOPFW-ZWKOTPCHSA-N 2 2 403.530 3.974 20 0 HHADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437807 1005420399 /nfs/dbraw/zinc/42/03/99/1005420399.db2.gz YFONHBFJPHOPFW-ZWKOTPCHSA-N 2 2 403.530 3.974 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC000531188817 1006034769 /nfs/dbraw/zinc/03/47/69/1006034769.db2.gz KFXUVROVJDNJNN-GOSISDBHSA-N 2 2 406.530 3.729 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690982 1006082526 /nfs/dbraw/zinc/08/25/26/1006082526.db2.gz DVGLBMPFQABEQW-SFHVURJKSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690982 1006082537 /nfs/dbraw/zinc/08/25/37/1006082537.db2.gz DVGLBMPFQABEQW-SFHVURJKSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690982 1006082550 /nfs/dbraw/zinc/08/25/50/1006082550.db2.gz DVGLBMPFQABEQW-SFHVURJKSA-N 2 2 405.995 3.780 20 0 HHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000514690982 1006082559 /nfs/dbraw/zinc/08/25/59/1006082559.db2.gz DVGLBMPFQABEQW-SFHVURJKSA-N 2 2 405.995 3.780 20 0 HHADLP CC[N@H+](CCc1nccs1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534176948 1006162662 /nfs/dbraw/zinc/16/26/62/1006162662.db2.gz HUKRURADGXBMIH-LJQANCHMSA-N 2 2 421.010 3.614 20 0 HHADLP CC[N@@H+](CCc1nccs1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534176948 1006162685 /nfs/dbraw/zinc/16/26/85/1006162685.db2.gz HUKRURADGXBMIH-LJQANCHMSA-N 2 2 421.010 3.614 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193716 1006184186 /nfs/dbraw/zinc/18/41/86/1006184186.db2.gz ARNMYYYOHGGJOP-PMACEKPBSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000534193716 1006184189 /nfs/dbraw/zinc/18/41/89/1006184189.db2.gz ARNMYYYOHGGJOP-PMACEKPBSA-N 2 2 418.582 3.505 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205333 1006197586 /nfs/dbraw/zinc/19/75/86/1006197586.db2.gz CCERGQPPQSPHCA-FCHUYYIVSA-N 2 2 402.583 3.886 20 0 HHADLP CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205333 1006197592 /nfs/dbraw/zinc/19/75/92/1006197592.db2.gz CCERGQPPQSPHCA-FCHUYYIVSA-N 2 2 402.583 3.886 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534260511 1006270627 /nfs/dbraw/zinc/27/06/27/1006270627.db2.gz IBPLELUYUJWKNU-UHFFFAOYSA-N 2 2 403.530 3.532 20 0 HHADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534260511 1006270635 /nfs/dbraw/zinc/27/06/35/1006270635.db2.gz IBPLELUYUJWKNU-UHFFFAOYSA-N 2 2 403.530 3.532 20 0 HHADLP COc1c(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Br ZINC000534332279 1006303950 /nfs/dbraw/zinc/30/39/50/1006303950.db2.gz UXMABKWPIMPFBT-UHFFFAOYSA-N 2 2 420.189 3.994 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361385 1006325707 /nfs/dbraw/zinc/32/57/07/1006325707.db2.gz YUXFRPWZEJWLNV-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361385 1006325720 /nfs/dbraw/zinc/32/57/20/1006325720.db2.gz YUXFRPWZEJWLNV-BJKOFHAPSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375324 1006343335 /nfs/dbraw/zinc/34/33/35/1006343335.db2.gz HFTGTWGDFGAFSF-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375324 1006343347 /nfs/dbraw/zinc/34/33/47/1006343347.db2.gz HFTGTWGDFGAFSF-RTWAWAEBSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383093 1006355554 /nfs/dbraw/zinc/35/55/54/1006355554.db2.gz GAOSHTRTGFFPAI-YTFSRNRJSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@H]1CCc2ccc(F)cc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383093 1006355565 /nfs/dbraw/zinc/35/55/65/1006355565.db2.gz GAOSHTRTGFFPAI-YTFSRNRJSA-N 2 2 416.585 3.792 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384900 1006357344 /nfs/dbraw/zinc/35/73/44/1006357344.db2.gz RUKINWWAUZRUIP-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384900 1006357358 /nfs/dbraw/zinc/35/73/58/1006357358.db2.gz RUKINWWAUZRUIP-PKTZIBPZSA-N 2 2 400.611 3.516 20 0 HHADLP C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531695379 1006359808 /nfs/dbraw/zinc/35/98/08/1006359808.db2.gz PVEJGQCYBFXTAL-HNAYVOBHSA-N 2 2 405.420 3.982 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711945 1006371955 /nfs/dbraw/zinc/37/19/55/1006371955.db2.gz UJIWQMATZAOTAA-AZUAARDMSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(OC)c1 ZINC000531711945 1006371968 /nfs/dbraw/zinc/37/19/68/1006371968.db2.gz UJIWQMATZAOTAA-AZUAARDMSA-N 2 2 411.546 3.675 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720726 1006378204 /nfs/dbraw/zinc/37/82/04/1006378204.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720726 1006378213 /nfs/dbraw/zinc/37/82/13/1006378213.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720726 1006378221 /nfs/dbraw/zinc/37/82/21/1006378221.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1Cc1ccccc1 ZINC000531720726 1006378232 /nfs/dbraw/zinc/37/82/32/1006378232.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000531720726 1006378244 /nfs/dbraw/zinc/37/82/44/1006378244.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000531720726 1006378255 /nfs/dbraw/zinc/37/82/55/1006378255.db2.gz BMKWXBWBRRDECB-DMKHAHDWSA-N 2 2 407.602 3.512 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1 ZINC000534528565 1006521575 /nfs/dbraw/zinc/52/15/75/1006521575.db2.gz MZCHACCWHWNVJK-LJQANCHMSA-N 2 2 406.983 3.532 20 0 HHADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000534543686 1006533841 /nfs/dbraw/zinc/53/38/41/1006533841.db2.gz OJLMBOVVBDJFJV-JOCHJYFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000534543686 1006533853 /nfs/dbraw/zinc/53/38/53/1006533853.db2.gz OJLMBOVVBDJFJV-JOCHJYFZSA-N 2 2 404.514 3.705 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954095 1006543195 /nfs/dbraw/zinc/54/31/95/1006543195.db2.gz FNNZRGDPHIIDRD-AVRDEDQJSA-N 2 2 404.514 3.927 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000531954095 1006543204 /nfs/dbraw/zinc/54/32/04/1006543204.db2.gz FNNZRGDPHIIDRD-AVRDEDQJSA-N 2 2 404.514 3.927 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000531975620 1006554956 /nfs/dbraw/zinc/55/49/56/1006554956.db2.gz DDGYRSTUSUTHPF-OAHLLOKOSA-N 2 2 415.500 3.902 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538352075 1006619135 /nfs/dbraw/zinc/61/91/35/1006619135.db2.gz QPVDVMAZKWPHJG-FCHUYYIVSA-N 2 2 420.573 3.836 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538352075 1006619145 /nfs/dbraw/zinc/61/91/45/1006619145.db2.gz QPVDVMAZKWPHJG-FCHUYYIVSA-N 2 2 420.573 3.836 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000515795492 1006677708 /nfs/dbraw/zinc/67/77/08/1006677708.db2.gz VUZIRWGKCARRSL-TXTKFYIRSA-N 2 2 424.589 3.590 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718985 1006705217 /nfs/dbraw/zinc/70/52/17/1006705217.db2.gz AVKHAUHSNVLJSX-WUMKDDEVSA-N 2 2 415.622 3.669 20 0 HHADLP COc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534718985 1006705222 /nfs/dbraw/zinc/70/52/22/1006705222.db2.gz AVKHAUHSNVLJSX-WUMKDDEVSA-N 2 2 415.622 3.669 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534792339 1006795307 /nfs/dbraw/zinc/79/53/07/1006795307.db2.gz QTUXXENCZFOICW-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000534792339 1006795321 /nfs/dbraw/zinc/79/53/21/1006795321.db2.gz QTUXXENCZFOICW-FCHUYYIVSA-N 2 2 423.948 3.829 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1C(F)(F)F ZINC000532447034 1006890687 /nfs/dbraw/zinc/89/06/87/1006890687.db2.gz JZPWMCYIMFBTBF-MRXNPFEDSA-N 2 2 405.464 3.944 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000532454211 1006897079 /nfs/dbraw/zinc/89/70/79/1006897079.db2.gz CFKUMDZMSDYGSJ-HXUWFJFHSA-N 2 2 406.574 3.743 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000532486957 1006928027 /nfs/dbraw/zinc/92/80/27/1006928027.db2.gz ZBMIEBCRYFVVEB-LJQANCHMSA-N 2 2 411.546 3.549 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000532486957 1006928036 /nfs/dbraw/zinc/92/80/36/1006928036.db2.gz ZBMIEBCRYFVVEB-LJQANCHMSA-N 2 2 411.546 3.549 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538723167 1006998745 /nfs/dbraw/zinc/99/87/45/1006998745.db2.gz NKZGNZQYCJXDQR-JTAQYXEDSA-N 2 2 404.618 3.766 20 0 HHADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000538723167 1006998758 /nfs/dbraw/zinc/99/87/58/1006998758.db2.gz NKZGNZQYCJXDQR-JTAQYXEDSA-N 2 2 404.618 3.766 20 0 HHADLP COc1ccc(Br)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000532671218 1007086657 /nfs/dbraw/zinc/08/66/57/1007086657.db2.gz KOUIXKUDKCZYQM-UHFFFAOYSA-N 2 2 419.367 3.995 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093930 1007108047 /nfs/dbraw/zinc/10/80/47/1007108047.db2.gz DMOFGUYYRJRVOD-RBUKOAKNSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093930 1007108055 /nfs/dbraw/zinc/10/80/55/1007108055.db2.gz DMOFGUYYRJRVOD-RBUKOAKNSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093932 1007109060 /nfs/dbraw/zinc/10/90/60/1007109060.db2.gz DMOFGUYYRJRVOD-RTBURBONSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)on1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093932 1007109063 /nfs/dbraw/zinc/10/90/63/1007109063.db2.gz DMOFGUYYRJRVOD-RTBURBONSA-N 2 2 416.591 3.812 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097079 1007115934 /nfs/dbraw/zinc/11/59/34/1007115934.db2.gz VZIHFKWMPFRAKR-NHCUHLMSSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097079 1007115937 /nfs/dbraw/zinc/11/59/37/1007115937.db2.gz VZIHFKWMPFRAKR-NHCUHLMSSA-N 2 2 423.548 3.626 20 0 HHADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000532716863 1007128264 /nfs/dbraw/zinc/12/82/64/1007128264.db2.gz GLDDAIGQXMWQSR-SANMLTNESA-N 2 2 421.585 3.656 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117886 1007147610 /nfs/dbraw/zinc/14/76/10/1007147610.db2.gz QPLGWYBGYDHKKX-VQTJNVASSA-N 2 2 410.965 3.598 20 0 HHADLP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000535117886 1007147618 /nfs/dbraw/zinc/14/76/18/1007147618.db2.gz QPLGWYBGYDHKKX-VQTJNVASSA-N 2 2 410.965 3.598 20 0 HHADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000538869914 1007148582 /nfs/dbraw/zinc/14/85/82/1007148582.db2.gz WUGYVKGWFRDRTF-LJQANCHMSA-N 2 2 416.635 3.812 20 0 HHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000538877767 1007158020 /nfs/dbraw/zinc/15/80/20/1007158020.db2.gz PLHXMWJSTSAKME-UHFFFAOYSA-N 2 2 402.970 3.954 20 0 HHADLP CC[NH+]1CCC(Nc2cc(NC3CC[NH+](CC)CC3)[nH+]c(-c3ccccc3)n2)CC1 ZINC000516672032 1007219931 /nfs/dbraw/zinc/21/99/31/1007219931.db2.gz ZUZSSJITWKOAFE-UHFFFAOYSA-N 3 2 408.594 3.936 20 0 HHADLP Cc1cc2ncc([C@H](C)[NH2+]CCCCN3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986227 1007281010 /nfs/dbraw/zinc/28/10/10/1007281010.db2.gz PKXNOMOPJHZKBY-NRFANRHFSA-N 2 2 420.605 3.595 20 0 HHADLP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000532957102 1007322985 /nfs/dbraw/zinc/32/29/85/1007322985.db2.gz DEUYWYBXIRIQLB-HUUCEWRRSA-N 2 2 414.377 3.753 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000532966887 1007333240 /nfs/dbraw/zinc/33/32/40/1007333240.db2.gz ZJPQQFCCTXNWKI-SFHVURJKSA-N 2 2 411.977 3.867 20 0 HHADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000532966887 1007333251 /nfs/dbraw/zinc/33/32/51/1007333251.db2.gz ZJPQQFCCTXNWKI-SFHVURJKSA-N 2 2 411.977 3.867 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293446 1007344748 /nfs/dbraw/zinc/34/47/48/1007344748.db2.gz JSWFSRFDUUJUEU-PWRODBHTSA-N 2 2 419.614 3.721 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293446 1007344753 /nfs/dbraw/zinc/34/47/53/1007344753.db2.gz JSWFSRFDUUJUEU-PWRODBHTSA-N 2 2 419.614 3.721 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293435 1007344891 /nfs/dbraw/zinc/34/48/91/1007344891.db2.gz JSWFSRFDUUJUEU-ACRUOGEOSA-N 2 2 419.614 3.721 20 0 HHADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000535293435 1007344902 /nfs/dbraw/zinc/34/49/02/1007344902.db2.gz JSWFSRFDUUJUEU-ACRUOGEOSA-N 2 2 419.614 3.721 20 0 HHADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000539067737 1007359208 /nfs/dbraw/zinc/35/92/08/1007359208.db2.gz JXGSLUWVBKFJAM-GOSISDBHSA-N 2 2 412.559 3.551 20 0 HHADLP c1ccc(CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000539093534 1007383274 /nfs/dbraw/zinc/38/32/74/1007383274.db2.gz NDCHPCAYIJESNR-AREMUKBSSA-N 2 2 407.602 3.747 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)nc1 ZINC000533025560 1007386679 /nfs/dbraw/zinc/38/66/79/1007386679.db2.gz USCNQMTVSHSSDB-UHFFFAOYSA-N 3 2 407.606 3.772 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)nc1 ZINC000533025560 1007386694 /nfs/dbraw/zinc/38/66/94/1007386694.db2.gz USCNQMTVSHSSDB-UHFFFAOYSA-N 3 2 407.606 3.772 20 0 HHADLP CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)n(-c2ccccc2)n1 ZINC000533026163 1007386989 /nfs/dbraw/zinc/38/69/89/1007386989.db2.gz CKQBLKAACYIGGN-UHFFFAOYSA-N 2 2 406.534 3.642 20 0 HHADLP C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000539123920 1007412540 /nfs/dbraw/zinc/41/25/40/1007412540.db2.gz GJWQXVHXTJIZEG-QFIPXVFZSA-N 2 2 422.617 3.972 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@@H](C)O1 ZINC000539145719 1007441276 /nfs/dbraw/zinc/44/12/76/1007441276.db2.gz ANZFJJCXNGEJQO-QZTJIDSGSA-N 2 2 417.525 3.571 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226230 1007511904 /nfs/dbraw/zinc/51/19/04/1007511904.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000517226230 1007511918 /nfs/dbraw/zinc/51/19/18/1007511918.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226230 1007511924 /nfs/dbraw/zinc/51/19/24/1007511924.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 3 2 406.618 3.790 20 0 HHADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226230 1007511941 /nfs/dbraw/zinc/51/19/41/1007511941.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 3 2 406.618 3.790 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172682 1007514171 /nfs/dbraw/zinc/51/41/71/1007514171.db2.gz YWGHNVYUYKOFOV-YSSFQJQWSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172682 1007514179 /nfs/dbraw/zinc/51/41/79/1007514179.db2.gz YWGHNVYUYKOFOV-YSSFQJQWSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172682 1007514189 /nfs/dbraw/zinc/51/41/89/1007514189.db2.gz YWGHNVYUYKOFOV-YSSFQJQWSA-N 2 2 408.949 3.540 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172682 1007514195 /nfs/dbraw/zinc/51/41/95/1007514195.db2.gz YWGHNVYUYKOFOV-YSSFQJQWSA-N 2 2 408.949 3.540 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Br)cc1 ZINC000539241668 1007534491 /nfs/dbraw/zinc/53/44/91/1007534491.db2.gz MAKDYUOBVXSKOU-CYBMUJFWSA-N 2 2 423.380 3.791 20 0 HHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000533241409 1007561334 /nfs/dbraw/zinc/56/13/34/1007561334.db2.gz KOSGUXPSIMBPAR-UHFFFAOYSA-N 2 2 423.557 3.770 20 0 HHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000533265342 1007581270 /nfs/dbraw/zinc/58/12/70/1007581270.db2.gz WLNHVSDILUYLQS-FGZHOGPDSA-N 2 2 420.601 3.929 20 0 HHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(-c4ccc5c(c4)OCO5)n3)[nH+]c2)C1 ZINC000533315301 1007630324 /nfs/dbraw/zinc/63/03/24/1007630324.db2.gz CDFWYPGSFLEODO-SFHVURJKSA-N 2 2 423.542 3.686 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647009 1007654606 /nfs/dbraw/zinc/65/46/06/1007654606.db2.gz NXBORWWBZZZCAY-RTWAWAEBSA-N 2 2 418.582 3.505 20 0 HHADLP COc1ccc(OC)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535647009 1007654614 /nfs/dbraw/zinc/65/46/14/1007654614.db2.gz NXBORWWBZZZCAY-RTWAWAEBSA-N 2 2 418.582 3.505 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647995 1007656479 /nfs/dbraw/zinc/65/64/79/1007656479.db2.gz ZFNRIQRYHFQPEI-VXKWHMMOSA-N 2 2 401.599 3.554 20 0 HHADLP CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647995 1007656485 /nfs/dbraw/zinc/65/64/85/1007656485.db2.gz ZFNRIQRYHFQPEI-VXKWHMMOSA-N 2 2 401.599 3.554 20 0 HHADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000533407908 1007716887 /nfs/dbraw/zinc/71/68/87/1007716887.db2.gz GYVRSWJQGZRIFJ-UHFFFAOYSA-N 2 2 400.336 3.579 20 0 HHADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000533407908 1007716899 /nfs/dbraw/zinc/71/68/99/1007716899.db2.gz GYVRSWJQGZRIFJ-UHFFFAOYSA-N 2 2 400.336 3.579 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000535758372 1007775913 /nfs/dbraw/zinc/77/59/13/1007775913.db2.gz LWWRGXHWPQUNAO-UHFFFAOYSA-N 2 2 405.612 3.905 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533484800 1007793499 /nfs/dbraw/zinc/79/34/99/1007793499.db2.gz SRMYOTNXVLCVGO-XMMPIXPASA-N 2 2 400.526 3.694 20 0 HHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539495300 1007806801 /nfs/dbraw/zinc/80/68/01/1007806801.db2.gz LCFFEYSZJLOPBK-SFHVURJKSA-N 2 2 406.530 3.780 20 0 HHADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807822 1007818885 /nfs/dbraw/zinc/81/88/85/1007818885.db2.gz DMIKPIBSFSZACB-JTHBVZDNSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807822 1007818901 /nfs/dbraw/zinc/81/89/01/1007818901.db2.gz DMIKPIBSFSZACB-JTHBVZDNSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807822 1007818916 /nfs/dbraw/zinc/81/89/16/1007818916.db2.gz DMIKPIBSFSZACB-JTHBVZDNSA-N 2 2 405.521 3.893 20 0 HHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000535807822 1007818931 /nfs/dbraw/zinc/81/89/31/1007818931.db2.gz DMIKPIBSFSZACB-JTHBVZDNSA-N 2 2 405.521 3.893 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850562 1007863756 /nfs/dbraw/zinc/86/37/56/1007863756.db2.gz FZBKKADICXONAH-RPWUZVMVSA-N 2 2 410.606 3.827 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850562 1007863768 /nfs/dbraw/zinc/86/37/68/1007863768.db2.gz FZBKKADICXONAH-RPWUZVMVSA-N 2 2 410.606 3.827 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850577 1007865303 /nfs/dbraw/zinc/86/53/03/1007865303.db2.gz GLLOBXQXIFERFJ-RPWUZVMVSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2nc1C ZINC000535850577 1007865309 /nfs/dbraw/zinc/86/53/09/1007865309.db2.gz GLLOBXQXIFERFJ-RPWUZVMVSA-N 2 2 423.605 3.656 20 0 HHADLP Cc1ccc(Cn2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(-c3ccc(C)cc3)n2)cc1 ZINC000533563582 1007875565 /nfs/dbraw/zinc/87/55/65/1007875565.db2.gz DYMDAJYTPBVGJU-VWLOTQADSA-N 2 2 406.574 3.617 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874902 1007892283 /nfs/dbraw/zinc/89/22/83/1007892283.db2.gz FKMPJCKTFQKULJ-JRGCBEDISA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874902 1007892287 /nfs/dbraw/zinc/89/22/87/1007892287.db2.gz FKMPJCKTFQKULJ-JRGCBEDISA-N 2 2 406.640 3.658 20 0 HHADLP CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535875019 1007892418 /nfs/dbraw/zinc/89/24/18/1007892418.db2.gz FECGVXSMEOEJGF-YTFSRNRJSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535875019 1007892428 /nfs/dbraw/zinc/89/24/28/1007892428.db2.gz FECGVXSMEOEJGF-YTFSRNRJSA-N 2 2 416.585 3.792 20 0 HHADLP CN(C(=O)NC[C@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535878738 1007897713 /nfs/dbraw/zinc/89/77/13/1007897713.db2.gz ZDTUEYHHNQXZOL-AGILITTLSA-N 2 2 412.622 3.695 20 0 HHADLP CN(C(=O)NC[C@H]1CCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535878738 1007897718 /nfs/dbraw/zinc/89/77/18/1007897718.db2.gz ZDTUEYHHNQXZOL-AGILITTLSA-N 2 2 412.622 3.695 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878783 1007898818 /nfs/dbraw/zinc/89/88/18/1007898818.db2.gz XIVNIJQVOVNASP-DNQXCXABSA-N 2 2 414.638 3.770 20 0 HHADLP CCc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535878783 1007898833 /nfs/dbraw/zinc/89/88/33/1007898833.db2.gz XIVNIJQVOVNASP-DNQXCXABSA-N 2 2 414.638 3.770 20 0 HHADLP CN(C(=O)COC/C=C/c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649805 1007960374 /nfs/dbraw/zinc/96/03/74/1007960374.db2.gz XTMHUBVWWPKUMI-DXBPFGEVSA-N 2 2 413.606 3.512 20 0 HHADLP CN(C(=O)COC/C=C/c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649805 1007960382 /nfs/dbraw/zinc/96/03/82/1007960382.db2.gz XTMHUBVWWPKUMI-DXBPFGEVSA-N 2 2 413.606 3.512 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cncn2)cc1Cl ZINC000539658916 1007975556 /nfs/dbraw/zinc/97/55/56/1007975556.db2.gz KAGLQZWFRIRHTO-QAPCUYQASA-N 2 2 411.941 3.629 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662786 1007977996 /nfs/dbraw/zinc/97/79/96/1007977996.db2.gz MUBMSJJESWQYRJ-PKTZIBPZSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662786 1007978006 /nfs/dbraw/zinc/97/80/06/1007978006.db2.gz MUBMSJJESWQYRJ-PKTZIBPZSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662920 1007979116 /nfs/dbraw/zinc/97/91/16/1007979116.db2.gz MCCCAIBRHUKXGJ-GOTSBHOMSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCOC1CCCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662920 1007979120 /nfs/dbraw/zinc/97/91/20/1007979120.db2.gz MCCCAIBRHUKXGJ-GOTSBHOMSA-N 2 2 422.658 3.704 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669871 1007986054 /nfs/dbraw/zinc/98/60/54/1007986054.db2.gz FDHYDYCWKPIJSN-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669871 1007986062 /nfs/dbraw/zinc/98/60/62/1007986062.db2.gz FDHYDYCWKPIJSN-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669871 1007986069 /nfs/dbraw/zinc/98/60/69/1007986069.db2.gz FDHYDYCWKPIJSN-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533669871 1007986074 /nfs/dbraw/zinc/98/60/74/1007986074.db2.gz FDHYDYCWKPIJSN-LEWJYISDSA-N 2 2 422.976 3.884 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533672909 1007991513 /nfs/dbraw/zinc/99/15/13/1007991513.db2.gz YXCDBNRCKIOAGF-YADHBBJMSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533672909 1007991521 /nfs/dbraw/zinc/99/15/21/1007991521.db2.gz YXCDBNRCKIOAGF-YADHBBJMSA-N 2 2 421.029 3.861 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683809 1008007747 /nfs/dbraw/zinc/00/77/47/1008007747.db2.gz VMPBCWYENHJGDY-FPOVZHCZSA-N 2 2 419.928 3.595 20 0 HHADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533683809 1008007757 /nfs/dbraw/zinc/00/77/57/1008007757.db2.gz VMPBCWYENHJGDY-FPOVZHCZSA-N 2 2 419.928 3.595 20 0 HHADLP C[C@@H](c1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000518099802 1008158790 /nfs/dbraw/zinc/15/87/90/1008158790.db2.gz GZIRQASXMFVXRY-UGKGYDQZSA-N 2 2 400.567 3.562 20 0 HHADLP Cc1ccc(-c2ccc(C[NH2+]CCC(=O)N3CCN(c4cccc[nH+]4)CC3)s2)cc1 ZINC000518274330 1008235389 /nfs/dbraw/zinc/23/53/89/1008235389.db2.gz VQVQONZCUSOEAD-UHFFFAOYSA-N 2 2 420.582 3.947 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190469 1008329014 /nfs/dbraw/zinc/32/90/14/1008329014.db2.gz YQVOHOMZXLFZDZ-OXJNMPFZSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000540190469 1008329017 /nfs/dbraw/zinc/32/90/17/1008329017.db2.gz YQVOHOMZXLFZDZ-OXJNMPFZSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192573 1008329533 /nfs/dbraw/zinc/32/95/33/1008329533.db2.gz NGLYHSBXXBZYNO-RDPSFJRHSA-N 2 2 406.574 3.708 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192573 1008329537 /nfs/dbraw/zinc/32/95/37/1008329537.db2.gz NGLYHSBXXBZYNO-RDPSFJRHSA-N 2 2 406.574 3.708 20 0 HHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248793 1008352446 /nfs/dbraw/zinc/35/24/46/1008352446.db2.gz UJDUFJLVNRYPCN-AQNXPRMDSA-N 2 2 413.562 3.993 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000518619067 1008367515 /nfs/dbraw/zinc/36/75/15/1008367515.db2.gz FHCNXZHZLZEYGB-UHFFFAOYSA-N 2 2 417.145 3.939 20 0 HHADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000518619067 1008367520 /nfs/dbraw/zinc/36/75/20/1008367520.db2.gz FHCNXZHZLZEYGB-UHFFFAOYSA-N 2 2 417.145 3.939 20 0 HHADLP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1Br ZINC000518828026 1008436352 /nfs/dbraw/zinc/43/63/52/1008436352.db2.gz JXCWYXDAHFAJJV-MRXNPFEDSA-N 2 2 422.411 3.965 20 0 HHADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1Br ZINC000518828026 1008436355 /nfs/dbraw/zinc/43/63/55/1008436355.db2.gz JXCWYXDAHFAJJV-MRXNPFEDSA-N 2 2 422.411 3.965 20 0 HHADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540481305 1008448575 /nfs/dbraw/zinc/44/85/75/1008448575.db2.gz YRUXDIVQOWUVCO-OAQYLSRUSA-N 2 2 410.562 3.506 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000540503172 1008458411 /nfs/dbraw/zinc/45/84/11/1008458411.db2.gz AJOYXLRLUZWXSG-MRXNPFEDSA-N 2 2 400.792 3.703 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000540503172 1008458412 /nfs/dbraw/zinc/45/84/12/1008458412.db2.gz AJOYXLRLUZWXSG-MRXNPFEDSA-N 2 2 400.792 3.703 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553850 1008478903 /nfs/dbraw/zinc/47/89/03/1008478903.db2.gz OPURMOMBOALFMD-YADHBBJMSA-N 2 2 418.630 3.793 20 0 HHADLP CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000540553850 1008478905 /nfs/dbraw/zinc/47/89/05/1008478905.db2.gz OPURMOMBOALFMD-YADHBBJMSA-N 2 2 418.630 3.793 20 0 HHADLP COc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OC(C)C ZINC000545515332 1008616668 /nfs/dbraw/zinc/61/66/68/1008616668.db2.gz XRYQCIFLYAIHIL-UHFFFAOYSA-N 2 2 418.582 3.554 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543043767 1008625997 /nfs/dbraw/zinc/62/59/97/1008625997.db2.gz KGSQZPAMHZJAJB-PZJWPPBQSA-N 2 2 401.599 3.738 20 0 HHADLP C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543043767 1008626005 /nfs/dbraw/zinc/62/60/05/1008626005.db2.gz KGSQZPAMHZJAJB-PZJWPPBQSA-N 2 2 401.599 3.738 20 0 HHADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061267 1008638221 /nfs/dbraw/zinc/63/82/21/1008638221.db2.gz RVRWGTXWSJJNJV-HXUWFJFHSA-N 2 2 400.592 3.973 20 0 HHADLP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000549081515 1008645704 /nfs/dbraw/zinc/64/57/04/1008645704.db2.gz XPWLNWQDQFXGQH-OAQYLSRUSA-N 2 2 411.937 3.687 20 0 HHADLP CCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108517 1008681053 /nfs/dbraw/zinc/68/10/53/1008681053.db2.gz WDQLILPGYGRBKA-XZOQPEGZSA-N 2 2 417.642 3.511 20 0 HHADLP CCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CC(C)C ZINC000543108517 1008681059 /nfs/dbraw/zinc/68/10/59/1008681059.db2.gz WDQLILPGYGRBKA-XZOQPEGZSA-N 2 2 417.642 3.511 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109662 1008682611 /nfs/dbraw/zinc/68/26/11/1008682611.db2.gz RMXICCJDWGPJFH-GLUAQAMUSA-N 2 2 401.639 3.998 20 0 HHADLP CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109662 1008682620 /nfs/dbraw/zinc/68/26/20/1008682620.db2.gz RMXICCJDWGPJFH-GLUAQAMUSA-N 2 2 401.639 3.998 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000549161322 1008731933 /nfs/dbraw/zinc/73/19/33/1008731933.db2.gz BGDZFYAGOUCQOK-JTHBVZDNSA-N 2 2 407.558 3.517 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000549161322 1008731949 /nfs/dbraw/zinc/73/19/49/1008731949.db2.gz BGDZFYAGOUCQOK-JTHBVZDNSA-N 2 2 407.558 3.517 20 0 HHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000519431273 1008809927 /nfs/dbraw/zinc/80/99/27/1008809927.db2.gz ZVSVSMPGAYXGTL-SFHVURJKSA-N 2 2 407.986 3.718 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543323945 1008905310 /nfs/dbraw/zinc/90/53/10/1008905310.db2.gz JLVJIELKVQFBNE-OAQYLSRUSA-N 2 2 424.589 3.789 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000543403362 1008995948 /nfs/dbraw/zinc/99/59/48/1008995948.db2.gz COSQGQHLXXUXJC-SANMLTNESA-N 2 2 407.602 3.931 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000543423339 1009014147 /nfs/dbraw/zinc/01/41/47/1009014147.db2.gz XYPOWXPBDMJJGH-BWKNWUBXSA-N 2 2 408.590 3.579 20 0 HHADLP Brc1cnc(C[NH2+]CCCCNc2cccc[nH+]2)c(Br)c1 ZINC000543447548 1009033676 /nfs/dbraw/zinc/03/36/76/1009033676.db2.gz PDGHHVAWPJZSKG-UHFFFAOYSA-N 2 2 414.145 3.984 20 0 HHADLP Cn1ccc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000543635565 1009239193 /nfs/dbraw/zinc/23/91/93/1009239193.db2.gz IETBGCYZRXURPK-KNQAVFIVSA-N 2 2 410.953 3.810 20 0 HHADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc(Cl)c1OC ZINC000520206686 1009341316 /nfs/dbraw/zinc/34/13/16/1009341316.db2.gz ATPSQRQOLNYYQA-UHFFFAOYSA-N 2 2 417.981 3.968 20 0 HHADLP Cn1ccc([C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccc(F)cc2)n1 ZINC000543775069 1009343385 /nfs/dbraw/zinc/34/33/85/1009343385.db2.gz RMVNQGJDTLYOLA-HSZRJFAPSA-N 2 2 408.525 3.686 20 0 HHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543993622 1009593676 /nfs/dbraw/zinc/59/36/76/1009593676.db2.gz WOWDAVYPCSOEHV-UHFFFAOYSA-N 2 2 424.593 3.668 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544037662 1009639067 /nfs/dbraw/zinc/63/90/67/1009639067.db2.gz RLXKZSMKPPQFPS-RPBOFIJWSA-N 2 2 422.617 3.815 20 0 HHADLP CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544037662 1009639073 /nfs/dbraw/zinc/63/90/73/1009639073.db2.gz RLXKZSMKPPQFPS-RPBOFIJWSA-N 2 2 422.617 3.815 20 0 HHADLP CC[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000546758819 1009725707 /nfs/dbraw/zinc/72/57/07/1009725707.db2.gz ACWSKDYLORSFHC-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000546758819 1009725720 /nfs/dbraw/zinc/72/57/20/1009725720.db2.gz ACWSKDYLORSFHC-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2C1 ZINC000546772126 1009739604 /nfs/dbraw/zinc/73/96/04/1009739604.db2.gz CDJZGLWJYVCUGT-FQEVSTJZSA-N 2 2 416.569 3.516 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2C1 ZINC000546772126 1009739614 /nfs/dbraw/zinc/73/96/14/1009739614.db2.gz CDJZGLWJYVCUGT-FQEVSTJZSA-N 2 2 416.569 3.516 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)[NH+](C)Cc3ccccc3)c2C1 ZINC000546792843 1009758461 /nfs/dbraw/zinc/75/84/61/1009758461.db2.gz XHIYSFHIUHSUEZ-LJQANCHMSA-N 2 2 416.569 3.863 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)[NH+](C)Cc3ccccc3)c2C1 ZINC000546792843 1009758471 /nfs/dbraw/zinc/75/84/71/1009758471.db2.gz XHIYSFHIUHSUEZ-LJQANCHMSA-N 2 2 416.569 3.863 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)c2C1 ZINC000546792843 1009758484 /nfs/dbraw/zinc/75/84/84/1009758484.db2.gz XHIYSFHIUHSUEZ-LJQANCHMSA-N 2 2 416.569 3.863 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2C1 ZINC000546792843 1009758494 /nfs/dbraw/zinc/75/84/94/1009758494.db2.gz XHIYSFHIUHSUEZ-LJQANCHMSA-N 2 2 416.569 3.863 20 0 HHADLP C[C@H](C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174598 1009778189 /nfs/dbraw/zinc/77/81/89/1009778189.db2.gz APHXXTLHRKVVIV-APWZRJJASA-N 2 2 421.010 3.785 20 0 HHADLP C[C@H](C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174598 1009778199 /nfs/dbraw/zinc/77/81/99/1009778199.db2.gz APHXXTLHRKVVIV-APWZRJJASA-N 2 2 421.010 3.785 20 0 HHADLP O=C1CC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360548 1009987622 /nfs/dbraw/zinc/98/76/22/1009987622.db2.gz LNFQCAUESYUXEY-HSZRJFAPSA-N 2 2 406.574 3.648 20 0 HHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000520951914 1010002723 /nfs/dbraw/zinc/00/27/23/1010002723.db2.gz VITHSALAGTZMIU-UHFFFAOYSA-N 2 2 403.574 3.995 20 0 HHADLP Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000544395473 1010016269 /nfs/dbraw/zinc/01/62/69/1010016269.db2.gz WUAKKCYXWYMQGT-QFIPXVFZSA-N 2 2 424.570 3.617 20 0 HHADLP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544416424 1010033636 /nfs/dbraw/zinc/03/36/36/1010033636.db2.gz ZOMQOKGTIPFWBG-ROUUACIJSA-N 2 2 406.983 3.791 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421518 1010040819 /nfs/dbraw/zinc/04/08/19/1010040819.db2.gz KKUPZNFQYWJGNO-MOPGFXCFSA-N 2 2 424.589 3.527 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421518 1010040835 /nfs/dbraw/zinc/04/08/35/1010040835.db2.gz KKUPZNFQYWJGNO-MOPGFXCFSA-N 2 2 424.589 3.527 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421520 1010040900 /nfs/dbraw/zinc/04/09/00/1010040900.db2.gz KKUPZNFQYWJGNO-RBUKOAKNSA-N 2 2 424.589 3.527 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421520 1010040919 /nfs/dbraw/zinc/04/09/19/1010040919.db2.gz KKUPZNFQYWJGNO-RBUKOAKNSA-N 2 2 424.589 3.527 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000550662094 1010088876 /nfs/dbraw/zinc/08/88/76/1010088876.db2.gz QDNIOXUUDQOERG-APWZRJJASA-N 2 2 407.377 3.725 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000550662094 1010088889 /nfs/dbraw/zinc/08/88/89/1010088889.db2.gz QDNIOXUUDQOERG-APWZRJJASA-N 2 2 407.377 3.725 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)c(C)c1 ZINC000550698969 1010109455 /nfs/dbraw/zinc/10/94/55/1010109455.db2.gz CIRQJWOTLXJHGC-GOTSBHOMSA-N 2 2 424.570 3.556 20 0 HHADLP CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000544488752 1010113034 /nfs/dbraw/zinc/11/30/34/1010113034.db2.gz PNSXSYZWHCXOGG-UHFFFAOYSA-N 2 2 419.533 3.503 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC000544507276 1010129578 /nfs/dbraw/zinc/12/95/78/1010129578.db2.gz LEOZJVBUDXRBTD-OALUTQOASA-N 2 2 409.578 3.885 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511430 1010334240 /nfs/dbraw/zinc/33/42/40/1010334240.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511430 1010334253 /nfs/dbraw/zinc/33/42/53/1010334253.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 3 2 412.647 3.537 20 0 HHADLP Cc1ccc(C(=O)CC(C)(C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000544741598 1010347088 /nfs/dbraw/zinc/34/70/88/1010347088.db2.gz ICULIEITQUULCG-UHFFFAOYSA-N 2 2 413.606 3.659 20 0 HHADLP CC(C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000551350767 1010532755 /nfs/dbraw/zinc/53/27/55/1010532755.db2.gz YSUBJNPEPGLMFN-UHFFFAOYSA-N 2 2 401.938 3.636 20 0 HHADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000521676265 1010542560 /nfs/dbraw/zinc/54/25/60/1010542560.db2.gz OTJMLCBTVVWOEU-UHFFFAOYSA-N 2 2 419.570 3.864 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155803 1010547769 /nfs/dbraw/zinc/54/77/69/1010547769.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155803 1010547777 /nfs/dbraw/zinc/54/77/77/1010547777.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155803 1010547793 /nfs/dbraw/zinc/54/77/93/1010547793.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCO[C@H](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155803 1010547804 /nfs/dbraw/zinc/54/78/04/1010547804.db2.gz FPTKCINGKTWORH-XLGIIRLISA-N 3 2 407.602 3.908 20 0 HHADLP CN(C(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000551446175 1010590062 /nfs/dbraw/zinc/59/00/62/1010590062.db2.gz DEPBUFBVFJRTHW-HSZRJFAPSA-N 2 2 403.530 3.651 20 0 HHADLP CN(C(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000551446175 1010590069 /nfs/dbraw/zinc/59/00/69/1010590069.db2.gz DEPBUFBVFJRTHW-HSZRJFAPSA-N 2 2 403.530 3.651 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483056 1010641748 /nfs/dbraw/zinc/64/17/48/1010641748.db2.gz QWSHSUZUJOENSG-UNMCSNQZSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483056 1010641753 /nfs/dbraw/zinc/64/17/53/1010641753.db2.gz QWSHSUZUJOENSG-UNMCSNQZSA-N 3 2 407.606 3.935 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000521896682 1010694202 /nfs/dbraw/zinc/69/42/02/1010694202.db2.gz SHTYJSAPBKJCCJ-SFHVURJKSA-N 2 2 402.564 3.747 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521915541 1010707719 /nfs/dbraw/zinc/70/77/19/1010707719.db2.gz AZNTXOJGVYZFJM-FQEVSTJZSA-N 2 2 424.564 3.961 20 0 HHADLP O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000551707687 1010751669 /nfs/dbraw/zinc/75/16/69/1010751669.db2.gz OSSVOGXRPCCOEN-UHFFFAOYSA-N 2 2 407.583 3.963 20 0 HHADLP O=C(C[N@H+]1CCC=C(c2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000551707687 1010751673 /nfs/dbraw/zinc/75/16/73/1010751673.db2.gz OSSVOGXRPCCOEN-UHFFFAOYSA-N 2 2 407.583 3.963 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000545380543 1010763867 /nfs/dbraw/zinc/76/38/67/1010763867.db2.gz BMPXWDUNUOJUSR-UHFFFAOYSA-N 2 2 407.345 3.849 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522048258 1010777567 /nfs/dbraw/zinc/77/75/67/1010777567.db2.gz JTYRUTJSMOBMPA-FQEVSTJZSA-N 2 2 422.976 3.617 20 0 HHADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000522048258 1010777572 /nfs/dbraw/zinc/77/75/72/1010777572.db2.gz JTYRUTJSMOBMPA-FQEVSTJZSA-N 2 2 422.976 3.617 20 0 HHADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)CC2)oc1C ZINC000522064416 1010786794 /nfs/dbraw/zinc/78/67/94/1010786794.db2.gz JKIZHGOEIMZAAL-NRFANRHFSA-N 2 2 418.969 3.576 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522401015 1010983076 /nfs/dbraw/zinc/98/30/76/1010983076.db2.gz NZLQXJHSUSQYLB-UHFFFAOYSA-N 2 2 403.530 3.645 20 0 HHADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522554309 1011077099 /nfs/dbraw/zinc/07/70/99/1011077099.db2.gz SETBMFZGVCCCIK-DEOSSOPVSA-N 2 2 423.626 3.997 20 0 HHADLP Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522554309 1011077103 /nfs/dbraw/zinc/07/71/03/1011077103.db2.gz SETBMFZGVCCCIK-DEOSSOPVSA-N 2 2 423.626 3.997 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000540633858 1011281594 /nfs/dbraw/zinc/28/15/94/1011281594.db2.gz KKFZUNACHMCACI-IBGZPJMESA-N 2 2 413.591 3.691 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904440 1011349497 /nfs/dbraw/zinc/34/94/97/1011349497.db2.gz SRUPNGXBNIILGU-ZRCGQRJVSA-N 2 2 417.594 3.542 20 0 HHADLP Cc1cc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000522904440 1011349508 /nfs/dbraw/zinc/34/95/08/1011349508.db2.gz SRUPNGXBNIILGU-ZRCGQRJVSA-N 2 2 417.594 3.542 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000536302011 1011490798 /nfs/dbraw/zinc/49/07/98/1011490798.db2.gz JLFJJJJIZYTIJR-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000536302011 1011490803 /nfs/dbraw/zinc/49/08/03/1011490803.db2.gz JLFJJJJIZYTIJR-JOCHJYFZSA-N 2 2 404.514 3.906 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000536303531 1011494465 /nfs/dbraw/zinc/49/44/65/1011494465.db2.gz XPSKYMRGSJNKSQ-SFHVURJKSA-N 2 2 419.342 3.512 20 0 HHADLP CCCCOC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000536379525 1011588146 /nfs/dbraw/zinc/58/81/46/1011588146.db2.gz VZLRONJEUFHLKW-JOCHJYFZSA-N 2 2 422.013 3.874 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccn2)s1 ZINC000536664566 1011814314 /nfs/dbraw/zinc/81/43/14/1011814314.db2.gz PWALBDLHYDQMMW-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccn2)s1 ZINC000536664566 1011814328 /nfs/dbraw/zinc/81/43/28/1011814328.db2.gz PWALBDLHYDQMMW-UHFFFAOYSA-N 3 2 413.635 3.833 20 0 HHADLP C[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664896 1011816713 /nfs/dbraw/zinc/81/67/13/1011816713.db2.gz VRXNAJOCMQBSJI-QRWLVFNGSA-N 2 2 410.389 3.727 20 0 HHADLP C[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664896 1011816726 /nfs/dbraw/zinc/81/67/26/1011816726.db2.gz VRXNAJOCMQBSJI-QRWLVFNGSA-N 2 2 410.389 3.727 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156113 1011817586 /nfs/dbraw/zinc/81/75/86/1011817586.db2.gz SPQVEZRXCUHUFV-HSZRJFAPSA-N 2 2 408.030 3.941 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000536666757 1011819260 /nfs/dbraw/zinc/81/92/60/1011819260.db2.gz NYAZJJZMFBCWSH-NFBKMPQASA-N 2 2 404.618 3.910 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000536666757 1011819274 /nfs/dbraw/zinc/81/92/74/1011819274.db2.gz NYAZJJZMFBCWSH-NFBKMPQASA-N 2 2 404.618 3.910 20 0 HHADLP C[C@@H](CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000541186508 1011859475 /nfs/dbraw/zinc/85/94/75/1011859475.db2.gz DECMEDHVASWOIC-NRFANRHFSA-N 2 2 411.594 3.996 20 0 HHADLP C[C@@H](CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000541186508 1011859495 /nfs/dbraw/zinc/85/94/95/1011859495.db2.gz DECMEDHVASWOIC-NRFANRHFSA-N 2 2 411.594 3.996 20 0 HHADLP Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(OCC[NH+](C)C)c1 ZINC000523448279 1011946563 /nfs/dbraw/zinc/94/65/63/1011946563.db2.gz QMXYUIUMTRVCQG-UHFFFAOYSA-N 2 2 407.518 3.502 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536804324 1012026662 /nfs/dbraw/zinc/02/66/62/1012026662.db2.gz AFCGSMTYPBFPOZ-SFHVURJKSA-N 2 2 410.543 3.508 20 0 HHADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322891 1012033405 /nfs/dbraw/zinc/03/34/05/1012033405.db2.gz WAWCBBQMBDWSCP-DVECYGJZSA-N 2 2 423.557 3.549 20 0 HHADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000541322891 1012033429 /nfs/dbraw/zinc/03/34/29/1012033429.db2.gz WAWCBBQMBDWSCP-DVECYGJZSA-N 2 2 423.557 3.549 20 0 HHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000552040403 1012061487 /nfs/dbraw/zinc/06/14/87/1012061487.db2.gz FTQLEAHLTZEXJU-SANMLTNESA-N 2 2 417.553 3.996 20 0 HHADLP Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000552058971 1012077029 /nfs/dbraw/zinc/07/70/29/1012077029.db2.gz GKDDOXVXUQPQFO-LJQANCHMSA-N 2 2 418.969 3.723 20 0 HHADLP O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541373809 1012090158 /nfs/dbraw/zinc/09/01/58/1012090158.db2.gz KKBBJRMDFIBGNS-QHCPKHFHSA-N 2 2 416.550 3.951 20 0 HHADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000541383529 1012102984 /nfs/dbraw/zinc/10/29/84/1012102984.db2.gz KRSKMUQSFUIXON-IBGZPJMESA-N 2 2 422.598 3.676 20 0 HHADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000541383529 1012102995 /nfs/dbraw/zinc/10/29/95/1012102995.db2.gz KRSKMUQSFUIXON-IBGZPJMESA-N 2 2 422.598 3.676 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876431 1012118854 /nfs/dbraw/zinc/11/88/54/1012118854.db2.gz MOZADSXNZBQWEY-DVECYGJZSA-N 2 2 418.541 3.605 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000536876431 1012118861 /nfs/dbraw/zinc/11/88/61/1012118861.db2.gz MOZADSXNZBQWEY-DVECYGJZSA-N 2 2 418.541 3.605 20 0 HHADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398949 1012126137 /nfs/dbraw/zinc/12/61/37/1012126137.db2.gz WIRXKVWMJXQXSJ-FCHUYYIVSA-N 2 2 408.590 3.782 20 0 HHADLP Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000552119784 1012137778 /nfs/dbraw/zinc/13/77/78/1012137778.db2.gz YVGRIOUEEQFPII-SFHVURJKSA-N 2 2 411.456 3.672 20 0 HHADLP Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000552119784 1012137783 /nfs/dbraw/zinc/13/77/83/1012137783.db2.gz YVGRIOUEEQFPII-SFHVURJKSA-N 2 2 411.456 3.672 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536904164 1012164842 /nfs/dbraw/zinc/16/48/42/1012164842.db2.gz IMFXQTTUKJIDPZ-PMACEKPBSA-N 2 2 410.965 3.786 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536904164 1012164854 /nfs/dbraw/zinc/16/48/54/1012164854.db2.gz IMFXQTTUKJIDPZ-PMACEKPBSA-N 2 2 410.965 3.786 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470440 1012236931 /nfs/dbraw/zinc/23/69/31/1012236931.db2.gz AKWPDBGGGHRZKC-RBUKOAKNSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470440 1012236949 /nfs/dbraw/zinc/23/69/49/1012236949.db2.gz AKWPDBGGGHRZKC-RBUKOAKNSA-N 2 2 405.612 3.604 20 0 HHADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000523690706 1012292313 /nfs/dbraw/zinc/29/23/13/1012292313.db2.gz WCKVUJDDRPAYFJ-OAHLLOKOSA-N 2 2 412.365 3.742 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000541521312 1012302622 /nfs/dbraw/zinc/30/26/22/1012302622.db2.gz AKQFDHGRMKBRJH-FQEVSTJZSA-N 2 2 401.599 3.594 20 0 HHADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000537016566 1012317045 /nfs/dbraw/zinc/31/70/45/1012317045.db2.gz OOGBJLLLLHRDCP-ZWKOTPCHSA-N 2 2 403.592 3.894 20 0 HHADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552333640 1012343544 /nfs/dbraw/zinc/34/35/44/1012343544.db2.gz KOKNIZYIFADASL-LQCXBHPOSA-N 2 2 406.014 3.970 20 0 HHADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552333640 1012343563 /nfs/dbraw/zinc/34/35/63/1012343563.db2.gz KOKNIZYIFADASL-LQCXBHPOSA-N 2 2 406.014 3.970 20 0 HHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000552339663 1012351049 /nfs/dbraw/zinc/35/10/49/1012351049.db2.gz CUDIJASBCRAHJX-AJEIKYIBSA-N 2 2 413.606 3.636 20 0 HHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000552339663 1012351066 /nfs/dbraw/zinc/35/10/66/1012351066.db2.gz CUDIJASBCRAHJX-AJEIKYIBSA-N 2 2 413.606 3.636 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812531 1012488670 /nfs/dbraw/zinc/48/86/70/1012488670.db2.gz FNWKSHYHDIZNGS-LPHOPBHVSA-N 2 2 410.965 3.646 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000523812531 1012488678 /nfs/dbraw/zinc/48/86/78/1012488678.db2.gz FNWKSHYHDIZNGS-LPHOPBHVSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(F)c1F ZINC000537129639 1012513626 /nfs/dbraw/zinc/51/36/26/1012513626.db2.gz BIVUJUPQBYBXQV-OAHLLOKOSA-N 2 2 405.514 3.803 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)c2)cc[nH+]1 ZINC000541693394 1012540514 /nfs/dbraw/zinc/54/05/14/1012540514.db2.gz PCBDRSLMQRTDSM-UHFFFAOYSA-N 2 2 407.562 3.735 20 0 HHADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)c1ccccc1O2 ZINC000537166896 1012569445 /nfs/dbraw/zinc/56/94/45/1012569445.db2.gz ICOKJPANCRDXBA-DEOSSOPVSA-N 3 2 421.585 3.597 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537227673 1012659835 /nfs/dbraw/zinc/65/98/35/1012659835.db2.gz HCOHNZHOWUIPFX-ZWKOTPCHSA-N 2 2 405.612 3.821 20 0 HHADLP CN(C(=O)Nc1scnc1C1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537227673 1012659844 /nfs/dbraw/zinc/65/98/44/1012659844.db2.gz HCOHNZHOWUIPFX-ZWKOTPCHSA-N 2 2 405.612 3.821 20 0 HHADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000552662340 1012662287 /nfs/dbraw/zinc/66/22/87/1012662287.db2.gz JXBQPQFOPOIQLC-UHFFFAOYSA-N 2 2 403.530 3.705 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808582 1012692471 /nfs/dbraw/zinc/69/24/71/1012692471.db2.gz ZRLRVKAIHVEKKT-UTKZUKDTSA-N 2 2 407.562 3.780 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)cc[nH+]1 ZINC000541808582 1012692482 /nfs/dbraw/zinc/69/24/82/1012692482.db2.gz ZRLRVKAIHVEKKT-UTKZUKDTSA-N 2 2 407.562 3.780 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249321 1012694411 /nfs/dbraw/zinc/69/44/11/1012694411.db2.gz XODHOFBQGFGYSJ-VQTJNVASSA-N 2 2 418.630 3.747 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249321 1012694415 /nfs/dbraw/zinc/69/44/15/1012694415.db2.gz XODHOFBQGFGYSJ-VQTJNVASSA-N 2 2 418.630 3.747 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249305 1012694745 /nfs/dbraw/zinc/69/47/45/1012694745.db2.gz XODHOFBQGFGYSJ-PMACEKPBSA-N 2 2 418.630 3.747 20 0 HHADLP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n(C(C)(C)C)n1 ZINC000537249305 1012694754 /nfs/dbraw/zinc/69/47/54/1012694754.db2.gz XODHOFBQGFGYSJ-PMACEKPBSA-N 2 2 418.630 3.747 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814401 1012701281 /nfs/dbraw/zinc/70/12/81/1012701281.db2.gz HMRHCKSYWQNCLS-OXJNMPFZSA-N 2 2 424.992 3.815 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814401 1012701285 /nfs/dbraw/zinc/70/12/85/1012701285.db2.gz HMRHCKSYWQNCLS-OXJNMPFZSA-N 2 2 424.992 3.815 20 0 HHADLP c1cc2c(s1)CC[N@@H+]([C@@H](CNc1cc[nH+]c(N3CCOCC3)n1)c1ccccc1)C2 ZINC000541835170 1012722734 /nfs/dbraw/zinc/72/27/34/1012722734.db2.gz SVMXQOZCLNYPPM-FQEVSTJZSA-N 2 2 421.570 3.586 20 0 HHADLP c1cc2c(s1)CC[N@H+]([C@@H](CNc1cc[nH+]c(N3CCOCC3)n1)c1ccccc1)C2 ZINC000541835170 1012722752 /nfs/dbraw/zinc/72/27/52/1012722752.db2.gz SVMXQOZCLNYPPM-FQEVSTJZSA-N 2 2 421.570 3.586 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752376 /nfs/dbraw/zinc/75/23/76/1012752376.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 3 2 424.658 3.537 20 0 HHADLP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752383 /nfs/dbraw/zinc/75/23/83/1012752383.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 3 2 424.658 3.537 20 0 HHADLP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccc(F)cc1 ZINC000537488628 1013000394 /nfs/dbraw/zinc/00/03/94/1013000394.db2.gz WWBAXYGORPPCLM-INIZCTEOSA-N 2 2 423.540 3.813 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729684554 1071808414 /nfs/dbraw/zinc/80/84/14/1071808414.db2.gz QYKKQDCRILIVBE-DNQXCXABSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729684554 1071808424 /nfs/dbraw/zinc/80/84/24/1071808424.db2.gz QYKKQDCRILIVBE-DNQXCXABSA-N 2 2 420.532 3.940 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053918 1072228630 /nfs/dbraw/zinc/22/86/30/1072228630.db2.gz QAJXOGRIMRXDFF-GOTSBHOMSA-N 2 2 409.599 3.509 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127053918 1072228636 /nfs/dbraw/zinc/22/86/36/1072228636.db2.gz QAJXOGRIMRXDFF-GOTSBHOMSA-N 2 2 409.599 3.509 20 0 HHADLP C[NH+](C)C1CCC([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)CC1 ZINC001168303758 1072468657 /nfs/dbraw/zinc/46/86/57/1072468657.db2.gz BSIGAWIBCWBFHY-CBNMVNINSA-N 2 2 418.578 3.683 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760535802 1072560908 /nfs/dbraw/zinc/56/09/08/1072560908.db2.gz YNCIXMYSQSBLJL-JOCHJYFZSA-N 2 2 422.573 3.602 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760535802 1072560914 /nfs/dbraw/zinc/56/09/14/1072560914.db2.gz YNCIXMYSQSBLJL-JOCHJYFZSA-N 2 2 422.573 3.602 20 0 HHADLP CCOCc1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1OC ZINC000571447511 1072621965 /nfs/dbraw/zinc/62/19/65/1072621965.db2.gz ACOQKCFTZYVCIH-VWLOTQADSA-N 2 2 423.601 3.624 20 0 HHADLP CCOCc1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1OC ZINC000571447511 1072621972 /nfs/dbraw/zinc/62/19/72/1072621972.db2.gz ACOQKCFTZYVCIH-VWLOTQADSA-N 2 2 423.601 3.624 20 0 HHADLP CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870022 1072858865 /nfs/dbraw/zinc/85/88/65/1072858865.db2.gz QCLIRCKUPFLHRX-ZEQRLZLVSA-N 2 2 423.626 3.900 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588362487 1073072105 /nfs/dbraw/zinc/07/21/05/1073072105.db2.gz CADJITPYADMZPM-IRXDYDNUSA-N 2 2 415.965 3.545 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588362487 1073072114 /nfs/dbraw/zinc/07/21/14/1073072114.db2.gz CADJITPYADMZPM-IRXDYDNUSA-N 2 2 415.965 3.545 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000588689811 1073140225 /nfs/dbraw/zinc/14/02/25/1073140225.db2.gz RQTPNFUFBWPYQS-QAPCUYQASA-N 2 2 407.352 3.601 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000588689811 1073140227 /nfs/dbraw/zinc/14/02/27/1073140227.db2.gz RQTPNFUFBWPYQS-QAPCUYQASA-N 2 2 407.352 3.601 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555197736 1073250791 /nfs/dbraw/zinc/25/07/91/1073250791.db2.gz FGCCZQBLDWRNCJ-SJORKVTESA-N 2 2 406.537 3.554 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555197736 1073250793 /nfs/dbraw/zinc/25/07/93/1073250793.db2.gz FGCCZQBLDWRNCJ-SJORKVTESA-N 2 2 406.537 3.554 20 0 HHADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000555334583 1073341855 /nfs/dbraw/zinc/34/18/55/1073341855.db2.gz XTBWBPFXFKVQHR-QFIPXVFZSA-N 2 2 407.606 3.943 20 0 HHADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000555334583 1073341857 /nfs/dbraw/zinc/34/18/57/1073341857.db2.gz XTBWBPFXFKVQHR-QFIPXVFZSA-N 2 2 407.606 3.943 20 0 HHADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600048320 1073449542 /nfs/dbraw/zinc/44/95/42/1073449542.db2.gz JURNZUFMIHOCBY-OAQYLSRUSA-N 2 2 421.585 3.801 20 0 HHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000590011811 1073451265 /nfs/dbraw/zinc/45/12/65/1073451265.db2.gz MHTDVBIBIBCHFX-UHFFFAOYSA-N 2 2 400.592 3.860 20 0 HHADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000590011811 1073451272 /nfs/dbraw/zinc/45/12/72/1073451272.db2.gz MHTDVBIBIBCHFX-UHFFFAOYSA-N 2 2 400.592 3.860 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430645 1073459778 /nfs/dbraw/zinc/45/97/78/1073459778.db2.gz LCJVMEVTUZCKCQ-WOJBJXKFSA-N 2 2 421.655 3.745 20 0 HHADLP CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000555430645 1073459783 /nfs/dbraw/zinc/45/97/83/1073459783.db2.gz LCJVMEVTUZCKCQ-WOJBJXKFSA-N 2 2 421.655 3.745 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555430546 1073459795 /nfs/dbraw/zinc/45/97/95/1073459795.db2.gz HEDAAWFFZSCUCU-DHIUTWEWSA-N 2 2 411.594 3.647 20 0 HHADLP CN(C(=O)NCc1cc2ccccc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555430546 1073459800 /nfs/dbraw/zinc/45/98/00/1073459800.db2.gz HEDAAWFFZSCUCU-DHIUTWEWSA-N 2 2 411.594 3.647 20 0 HHADLP COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000590127101 1073574536 /nfs/dbraw/zinc/57/45/36/1073574536.db2.gz OBWDRKDRKKMDGR-NZQKXSOJSA-N 2 2 407.558 3.738 20 0 HHADLP COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000590127101 1073574544 /nfs/dbraw/zinc/57/45/44/1073574544.db2.gz OBWDRKDRKKMDGR-NZQKXSOJSA-N 2 2 407.558 3.738 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158066 1073599515 /nfs/dbraw/zinc/59/95/15/1073599515.db2.gz UQCKDVTVYCNMFV-JQVVWYNYSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)C1 ZINC000590158066 1073599522 /nfs/dbraw/zinc/59/95/22/1073599522.db2.gz UQCKDVTVYCNMFV-JQVVWYNYSA-N 2 2 409.578 3.977 20 0 HHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000555547286 1073606028 /nfs/dbraw/zinc/60/60/28/1073606028.db2.gz QYBMZQZFRQSOMB-UHFFFAOYSA-N 2 2 402.542 3.563 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852548 1074017896 /nfs/dbraw/zinc/01/78/96/1074017896.db2.gz GFMJLHPWENDKFE-MZKRTTBSSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000590852548 1074017903 /nfs/dbraw/zinc/01/79/03/1074017903.db2.gz GFMJLHPWENDKFE-MZKRTTBSSA-N 2 2 409.578 3.908 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590851630 1074018066 /nfs/dbraw/zinc/01/80/66/1074018066.db2.gz WHWDDOLABORQPK-PXNSSMCTSA-N 2 2 401.942 3.720 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097203 1074110085 /nfs/dbraw/zinc/11/00/85/1074110085.db2.gz BEJAHIIBWLFAJC-JWQCQUIFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097203 1074110093 /nfs/dbraw/zinc/11/00/93/1074110093.db2.gz BEJAHIIBWLFAJC-JWQCQUIFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097203 1074110099 /nfs/dbraw/zinc/11/00/99/1074110099.db2.gz BEJAHIIBWLFAJC-JWQCQUIFSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000591097203 1074110104 /nfs/dbraw/zinc/11/01/04/1074110104.db2.gz BEJAHIIBWLFAJC-JWQCQUIFSA-N 2 2 422.617 3.565 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591447301 1074303855 /nfs/dbraw/zinc/30/38/55/1074303855.db2.gz CQKHHFUXBIFOEE-FQEVSTJZSA-N 2 2 407.558 3.685 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591447301 1074303860 /nfs/dbraw/zinc/30/38/60/1074303860.db2.gz CQKHHFUXBIFOEE-FQEVSTJZSA-N 2 2 407.558 3.685 20 0 HHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000573283406 1074316094 /nfs/dbraw/zinc/31/60/94/1074316094.db2.gz LXRYNQXEKOBVJI-UHFFFAOYSA-N 2 2 404.514 3.683 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591522164 1074362477 /nfs/dbraw/zinc/36/24/77/1074362477.db2.gz AJUVPSBVYOXVCH-VAMGGRTRSA-N 2 2 416.610 3.958 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)CC(C)C ZINC000591522004 1074362524 /nfs/dbraw/zinc/36/25/24/1074362524.db2.gz GYUXNQYNXDJPNI-KNQAVFIVSA-N 2 2 404.599 3.958 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591581158 1074423771 /nfs/dbraw/zinc/42/37/71/1074423771.db2.gz MYJZIWKZWBUCCC-SFHVURJKSA-N 2 2 401.580 3.547 20 0 HHADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591581158 1074423778 /nfs/dbraw/zinc/42/37/78/1074423778.db2.gz MYJZIWKZWBUCCC-SFHVURJKSA-N 2 2 401.580 3.547 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCC[NH+](C)C)c1 ZINC000574198918 1075174090 /nfs/dbraw/zinc/17/40/90/1075174090.db2.gz IOPRQZUFPQYVCV-UHFFFAOYSA-N 2 2 408.546 3.940 20 0 HHADLP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000574198918 1075174093 /nfs/dbraw/zinc/17/40/93/1075174093.db2.gz IOPRQZUFPQYVCV-UHFFFAOYSA-N 2 2 408.546 3.940 20 0 HHADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000593498354 1075204153 /nfs/dbraw/zinc/20/41/53/1075204153.db2.gz IFUAJRTWUBFILX-UHFFFAOYSA-N 2 2 411.550 3.724 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000594988406 1075391028 /nfs/dbraw/zinc/39/10/28/1075391028.db2.gz HBZRCJWCONUSHF-NRFANRHFSA-N 2 2 417.557 3.739 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000594988406 1075391034 /nfs/dbraw/zinc/39/10/34/1075391034.db2.gz HBZRCJWCONUSHF-NRFANRHFSA-N 2 2 417.557 3.739 20 0 HHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cc2)c1 ZINC000596691516 1075574575 /nfs/dbraw/zinc/57/45/75/1075574575.db2.gz DXBKZYJXKNAKRQ-HXUWFJFHSA-N 2 2 414.546 3.679 20 0 HHADLP CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472080 1075617758 /nfs/dbraw/zinc/61/77/58/1075617758.db2.gz CWBDLLLTVRDJKN-GOSISDBHSA-N 2 2 412.405 3.943 20 0 HHADLP CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472080 1075617759 /nfs/dbraw/zinc/61/77/59/1075617759.db2.gz CWBDLLLTVRDJKN-GOSISDBHSA-N 2 2 412.405 3.943 20 0 HHADLP CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475132 1075619117 /nfs/dbraw/zinc/61/91/17/1075619117.db2.gz UXEOHJXVVWWBNS-HNNXBMFYSA-N 2 2 409.361 3.715 20 0 HHADLP CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475132 1075619121 /nfs/dbraw/zinc/61/91/21/1075619121.db2.gz UXEOHJXVVWWBNS-HNNXBMFYSA-N 2 2 409.361 3.715 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601478440 1075620410 /nfs/dbraw/zinc/62/04/10/1075620410.db2.gz MATCZMUBCMLVJR-NRFANRHFSA-N 2 2 422.573 3.679 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601478440 1075620414 /nfs/dbraw/zinc/62/04/14/1075620414.db2.gz MATCZMUBCMLVJR-NRFANRHFSA-N 2 2 422.573 3.679 20 0 HHADLP CN(C(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478403 1075620514 /nfs/dbraw/zinc/62/05/14/1075620514.db2.gz LSLZYMFFFCFCNE-NRFANRHFSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478403 1075620517 /nfs/dbraw/zinc/62/05/17/1075620517.db2.gz LSLZYMFFFCFCNE-NRFANRHFSA-N 2 2 403.998 3.779 20 0 HHADLP CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477738 1075620889 /nfs/dbraw/zinc/62/08/89/1075620889.db2.gz UCWWPCFAWORDNC-GOSISDBHSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477738 1075620892 /nfs/dbraw/zinc/62/08/92/1075620892.db2.gz UCWWPCFAWORDNC-GOSISDBHSA-N 2 2 418.994 3.704 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479439 1075620951 /nfs/dbraw/zinc/62/09/51/1075620951.db2.gz MOKYKFIUHHPGQN-KSZLIROESA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479439 1075620953 /nfs/dbraw/zinc/62/09/53/1075620953.db2.gz MOKYKFIUHHPGQN-KSZLIROESA-N 2 2 410.389 3.724 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@H]4CC[N@@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479428 1075620984 /nfs/dbraw/zinc/62/09/84/1075620984.db2.gz YZOKLNCQNHFJNE-PXNSSMCTSA-N 2 2 408.590 3.533 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)[C@H]4CC[N@H+](C5CC[NH+](C)CC5)C4)cc3c2C1 ZINC000601479428 1075620985 /nfs/dbraw/zinc/62/09/85/1075620985.db2.gz YZOKLNCQNHFJNE-PXNSSMCTSA-N 2 2 408.590 3.533 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479441 1075621033 /nfs/dbraw/zinc/62/10/33/1075621033.db2.gz MOKYKFIUHHPGQN-OKZBNKHCSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479441 1075621037 /nfs/dbraw/zinc/62/10/37/1075621037.db2.gz MOKYKFIUHHPGQN-OKZBNKHCSA-N 2 2 410.389 3.724 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)CC1 ZINC000602202201 1075717900 /nfs/dbraw/zinc/71/79/00/1075717900.db2.gz XRBPVHCEGMQHTE-KRWDZBQOSA-N 2 2 418.006 3.870 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSc3cccc4cccc(Cl)c43)C2)CC1 ZINC000602202201 1075717906 /nfs/dbraw/zinc/71/79/06/1075717906.db2.gz XRBPVHCEGMQHTE-KRWDZBQOSA-N 2 2 418.006 3.870 20 0 HHADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cc1 ZINC001164670022 719522028 /nfs/dbraw/zinc/52/20/28/719522028.db2.gz AROJOWTVVUSPPO-UHFFFAOYSA-N 2 2 424.564 3.688 20 0 HHADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)cc1 ZINC001164670022 719522038 /nfs/dbraw/zinc/52/20/38/719522038.db2.gz AROJOWTVVUSPPO-UHFFFAOYSA-N 2 2 424.564 3.688 20 0 HHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164712150 720092853 /nfs/dbraw/zinc/09/28/53/720092853.db2.gz VZZLRIPHKCOZMR-OAQYLSRUSA-N 2 2 424.593 3.508 20 0 HHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164712150 720092860 /nfs/dbraw/zinc/09/28/60/720092860.db2.gz VZZLRIPHKCOZMR-OAQYLSRUSA-N 2 2 424.593 3.508 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001164819279 720306226 /nfs/dbraw/zinc/30/62/26/720306226.db2.gz DHMMUJSQNKWCKF-PKTZIBPZSA-N 2 2 404.558 3.660 20 0 HHADLP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747997 720922489 /nfs/dbraw/zinc/92/24/89/720922489.db2.gz FAEHZHCSWUSKKO-UKILVPOCSA-N 2 2 421.589 3.552 20 0 HHADLP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C)c(C)[nH+]1 ZINC001164747997 720922500 /nfs/dbraw/zinc/92/25/00/720922500.db2.gz FAEHZHCSWUSKKO-UKILVPOCSA-N 2 2 421.589 3.552 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC001164778852 721337001 /nfs/dbraw/zinc/33/70/01/721337001.db2.gz ZIAXTBAQXPUJMB-DEOSSOPVSA-N 2 2 406.530 3.959 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC001164778852 721337003 /nfs/dbraw/zinc/33/70/03/721337003.db2.gz ZIAXTBAQXPUJMB-DEOSSOPVSA-N 2 2 406.530 3.959 20 0 HHADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@H]4CC[NH+]4CCCC4)c3C2)cc1 ZINC001165048304 721966681 /nfs/dbraw/zinc/96/66/81/721966681.db2.gz YIBPTWODEOBPII-QFIPXVFZSA-N 2 2 405.590 3.880 20 0 HHADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@H]4CC[NH+]4CCCC4)c3C2)cc1 ZINC001165048304 721966685 /nfs/dbraw/zinc/96/66/85/721966685.db2.gz YIBPTWODEOBPII-QFIPXVFZSA-N 2 2 405.590 3.880 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(C)c2c1 ZINC001164974878 722118206 /nfs/dbraw/zinc/11/82/06/722118206.db2.gz IPJACYMPNHLYRR-GBXCKJPGSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc(C)c2c1 ZINC001164974878 722118207 /nfs/dbraw/zinc/11/82/07/722118207.db2.gz IPJACYMPNHLYRR-GBXCKJPGSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc(C)c2c1 ZINC001164974884 722118452 /nfs/dbraw/zinc/11/84/52/722118452.db2.gz IPJACYMPNHLYRR-YKSBVNFPSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc(C)c2c1 ZINC001164974884 722118456 /nfs/dbraw/zinc/11/84/56/722118456.db2.gz IPJACYMPNHLYRR-YKSBVNFPSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1 ZINC001164979886 722128731 /nfs/dbraw/zinc/12/87/31/722128731.db2.gz QYSKEZPLNHIKFL-HYBUGGRVSA-N 2 2 418.541 3.674 20 0 HHADLP COc1ccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1 ZINC001164979886 722128733 /nfs/dbraw/zinc/12/87/33/722128733.db2.gz QYSKEZPLNHIKFL-HYBUGGRVSA-N 2 2 418.541 3.674 20 0 HHADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)[nH+]2)CC1 ZINC001164977358 722171005 /nfs/dbraw/zinc/17/10/05/722171005.db2.gz MNJFGXUYQJBLGT-SLSDLSHTSA-N 2 2 404.558 3.535 20 0 HHADLP CC(C)CN1c2ccccc2[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]21 ZINC001165006531 722245295 /nfs/dbraw/zinc/24/52/95/722245295.db2.gz ZJTXZYZAVDQHOD-FYYLOGMGSA-N 2 2 405.590 3.672 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccco1 ZINC000542112842 1013046603 /nfs/dbraw/zinc/04/66/03/1013046603.db2.gz FHRHVQBOUKATKC-HXUWFJFHSA-N 2 2 401.555 3.761 20 0 HHADLP Brc1ccc2c(NC[C@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301309356 970860443 /nfs/dbraw/zinc/86/04/43/970860443.db2.gz DXDBETABXJUMFL-GOSISDBHSA-N 2 2 408.365 3.617 20 0 HHADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000302041095 971159049 /nfs/dbraw/zinc/15/90/49/971159049.db2.gz NPXZYIUMJYQZHY-KRWDZBQOSA-N 2 2 409.534 3.908 20 0 HHADLP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000302041095 971159054 /nfs/dbraw/zinc/15/90/54/971159054.db2.gz NPXZYIUMJYQZHY-KRWDZBQOSA-N 2 2 409.534 3.908 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132153 1013063532 /nfs/dbraw/zinc/06/35/32/1013063532.db2.gz MPCSZRDGOIOWEA-IBGZPJMESA-N 2 2 423.561 3.529 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302773579 971314089 /nfs/dbraw/zinc/31/40/89/971314089.db2.gz DFPDLIIHHGZDGT-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302773579 971314096 /nfs/dbraw/zinc/31/40/96/971314096.db2.gz DFPDLIIHHGZDGT-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302773579 971314098 /nfs/dbraw/zinc/31/40/98/971314098.db2.gz DFPDLIIHHGZDGT-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302773579 971314102 /nfs/dbraw/zinc/31/41/02/971314102.db2.gz DFPDLIIHHGZDGT-KNQAVFIVSA-N 2 2 409.578 3.814 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[NH+]2CCCC2)o1 ZINC000303128661 971517530 /nfs/dbraw/zinc/51/75/30/971517530.db2.gz NVJFJGZCDOIRFV-QFIPXVFZSA-N 2 2 410.562 3.561 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000303233959 971572327 /nfs/dbraw/zinc/57/23/27/971572327.db2.gz ZALDGFLUEKFAKS-UHFFFAOYSA-N 2 2 413.606 3.615 20 0 HHADLP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2)C[C@H](C)O1 ZINC000542166445 1013103034 /nfs/dbraw/zinc/10/30/34/1013103034.db2.gz HSGCTGVACYCHJJ-SFTDATJTSA-N 2 2 424.589 3.825 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178235 1013116952 /nfs/dbraw/zinc/11/69/52/1013116952.db2.gz ABSMJNNHAXSHIK-VXKWHMMOSA-N 2 2 416.610 3.526 20 0 HHADLP CC(C)COc1ncccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178235 1013116961 /nfs/dbraw/zinc/11/69/61/1013116961.db2.gz ABSMJNNHAXSHIK-VXKWHMMOSA-N 2 2 416.610 3.526 20 0 HHADLP C[NH+]1CCCC12CC[NH+](Cc1cccc(CN3CCC4(CCC[N@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220180 /nfs/dbraw/zinc/22/01/80/1013220180.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CC[NH+](Cc1cccc(CN3CCC4(CCC[N@@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220192 /nfs/dbraw/zinc/22/01/92/1013220192.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CCN(Cc1cccc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220203 /nfs/dbraw/zinc/22/02/03/1013220203.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP C[NH+]1CCCC12CCN(Cc1cccc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)c1)CC2 ZINC000542260291 1013220212 /nfs/dbraw/zinc/22/02/12/1013220212.db2.gz XIRKZKVOHZJUGM-UHFFFAOYSA-N 3 2 410.650 3.807 20 0 HHADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000542408287 1013361375 /nfs/dbraw/zinc/36/13/75/1013361375.db2.gz HQCRKNNJWFVPIV-HXUWFJFHSA-N 2 2 423.388 3.614 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000542464655 1013412142 /nfs/dbraw/zinc/41/21/42/1013412142.db2.gz DPETZOUEFUZUTQ-VQTJNVASSA-N 2 2 403.313 3.973 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000542464655 1013412148 /nfs/dbraw/zinc/41/21/48/1013412148.db2.gz DPETZOUEFUZUTQ-VQTJNVASSA-N 2 2 403.313 3.973 20 0 HHADLP C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000024674696 964047057 /nfs/dbraw/zinc/04/70/57/964047057.db2.gz BZBVUFQVPUIGNJ-HXUWFJFHSA-N 2 2 407.558 3.758 20 0 HHADLP C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000024674696 964047070 /nfs/dbraw/zinc/04/70/70/964047070.db2.gz BZBVUFQVPUIGNJ-HXUWFJFHSA-N 2 2 407.558 3.758 20 0 HHADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OCc1ccncc1 ZINC000048782529 964060073 /nfs/dbraw/zinc/06/00/73/964060073.db2.gz KBVMMACTEFYNMQ-UHFFFAOYSA-N 2 2 415.497 3.848 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000050254786 964296253 /nfs/dbraw/zinc/29/62/53/964296253.db2.gz DKZJPOOSTKVNNQ-UHFFFAOYSA-N 2 2 414.591 3.846 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)CC1 ZINC000050800362 964401834 /nfs/dbraw/zinc/40/18/34/964401834.db2.gz DXQSLQZQTCCYLE-UHFFFAOYSA-N 2 2 411.571 3.596 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000051469246 964583111 /nfs/dbraw/zinc/58/31/11/964583111.db2.gz XPCWAKBZIQCXDG-UHFFFAOYSA-N 2 2 400.394 3.755 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000051469246 964583119 /nfs/dbraw/zinc/58/31/19/964583119.db2.gz XPCWAKBZIQCXDG-UHFFFAOYSA-N 2 2 400.394 3.755 20 0 HHADLP C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759350 964689722 /nfs/dbraw/zinc/68/97/22/964689722.db2.gz NCZXEXUSBCJPPO-MRXNPFEDSA-N 2 2 415.607 3.557 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000051777816 964694978 /nfs/dbraw/zinc/69/49/78/964694978.db2.gz JEGFXQURBUHZEN-OAQYLSRUSA-N 2 2 404.986 3.745 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1CCc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052106020 964810279 /nfs/dbraw/zinc/81/02/79/964810279.db2.gz WEKRHLFBEYFKHD-DEOSSOPVSA-N 2 2 407.558 3.555 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1CCc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052106020 964810282 /nfs/dbraw/zinc/81/02/82/964810282.db2.gz WEKRHLFBEYFKHD-DEOSSOPVSA-N 2 2 407.558 3.555 20 0 HHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000537962538 1013541417 /nfs/dbraw/zinc/54/14/17/1013541417.db2.gz CDHDQXLNYXMOAQ-GUDVDZBRSA-N 2 2 411.359 3.933 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2sccc2C)[NH+]2CCCCC2)cc1 ZINC000057620390 965507579 /nfs/dbraw/zinc/50/75/79/965507579.db2.gz QLFWEAGQTXEVFJ-NRFANRHFSA-N 2 2 415.603 3.840 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2sccc2C)[NH+]2CCCCC2)cc1 ZINC000057620390 965507590 /nfs/dbraw/zinc/50/75/90/965507590.db2.gz QLFWEAGQTXEVFJ-NRFANRHFSA-N 2 2 415.603 3.840 20 0 HHADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058523762 965768534 /nfs/dbraw/zinc/76/85/34/965768534.db2.gz LEPKDNNFICCLTI-PKTZIBPZSA-N 2 2 406.574 3.779 20 0 HHADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058523762 965768553 /nfs/dbraw/zinc/76/85/53/965768553.db2.gz LEPKDNNFICCLTI-PKTZIBPZSA-N 2 2 406.574 3.779 20 0 HHADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041137 1013613345 /nfs/dbraw/zinc/61/33/45/1013613345.db2.gz IUXLADVANQVRQX-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041137 1013613348 /nfs/dbraw/zinc/61/33/48/1013613348.db2.gz IUXLADVANQVRQX-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041137 1013613351 /nfs/dbraw/zinc/61/33/51/1013613351.db2.gz IUXLADVANQVRQX-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000538041137 1013613353 /nfs/dbraw/zinc/61/33/53/1013613353.db2.gz IUXLADVANQVRQX-UIAACRFSSA-N 2 2 410.965 3.646 20 0 HHADLP C[C@H](c1ccccc1Cl)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000059333840 966014985 /nfs/dbraw/zinc/01/49/85/966014985.db2.gz KIJZRDCCNAWVOZ-GOSISDBHSA-N 2 2 412.965 3.999 20 0 HHADLP C[C@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000059333840 966014993 /nfs/dbraw/zinc/01/49/93/966014993.db2.gz KIJZRDCCNAWVOZ-GOSISDBHSA-N 2 2 412.965 3.999 20 0 HHADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542715132 1013627557 /nfs/dbraw/zinc/62/75/57/1013627557.db2.gz NSFYOZAFQRUEAY-OXJNMPFZSA-N 2 2 424.992 3.988 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000060561457 966206727 /nfs/dbraw/zinc/20/67/27/966206727.db2.gz ZKJAFZNRGIGCSD-UHFFFAOYSA-N 2 2 410.562 3.761 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc2)CC1 ZINC000060630921 966237136 /nfs/dbraw/zinc/23/71/36/966237136.db2.gz ADTPPBPJQAHNBX-HSZRJFAPSA-N 2 2 421.589 3.954 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccsc1 ZINC000056399612 966325859 /nfs/dbraw/zinc/32/58/59/966325859.db2.gz PFVMPOUGNFSIGN-IBGZPJMESA-N 2 2 412.563 3.520 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)c(C)c2)CC1 ZINC000056554083 966370332 /nfs/dbraw/zinc/37/03/32/966370332.db2.gz CTNWXVJEKLAKBR-UHFFFAOYSA-N 2 2 418.545 3.644 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542759194 1013664916 /nfs/dbraw/zinc/66/49/16/1013664916.db2.gz TXPCGZILUHFCSN-VOBQZIQPSA-N 2 2 410.965 3.596 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542759194 1013664921 /nfs/dbraw/zinc/66/49/21/1013664921.db2.gz TXPCGZILUHFCSN-VOBQZIQPSA-N 2 2 410.965 3.596 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542759192 1013665114 /nfs/dbraw/zinc/66/51/14/1013665114.db2.gz TXPCGZILUHFCSN-JSNMRZPZSA-N 2 2 410.965 3.596 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542759192 1013665118 /nfs/dbraw/zinc/66/51/18/1013665118.db2.gz TXPCGZILUHFCSN-JSNMRZPZSA-N 2 2 410.965 3.596 20 0 HHADLP CC(C)[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100459 1013669384 /nfs/dbraw/zinc/66/93/84/1013669384.db2.gz FFPANPVEFXVTPA-FQEVSTJZSA-N 2 2 402.410 3.670 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)n2)C1 ZINC000043547399 966997060 /nfs/dbraw/zinc/99/70/60/966997060.db2.gz HZKODCCCCZDUFM-ZBFHGGJFSA-N 2 2 407.609 3.861 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)n2)C1 ZINC000043547399 966997064 /nfs/dbraw/zinc/99/70/64/966997064.db2.gz HZKODCCCCZDUFM-ZBFHGGJFSA-N 2 2 407.609 3.861 20 0 HHADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000043820902 967041585 /nfs/dbraw/zinc/04/15/85/967041585.db2.gz AAPWYAXHTPKZQQ-OAQYLSRUSA-N 2 2 413.566 3.533 20 0 HHADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000043820902 967041596 /nfs/dbraw/zinc/04/15/96/967041596.db2.gz AAPWYAXHTPKZQQ-OAQYLSRUSA-N 2 2 413.566 3.533 20 0 HHADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000043820905 967041713 /nfs/dbraw/zinc/04/17/13/967041713.db2.gz AAPWYAXHTPKZQQ-NRFANRHFSA-N 2 2 413.566 3.533 20 0 HHADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000043820905 967041716 /nfs/dbraw/zinc/04/17/16/967041716.db2.gz AAPWYAXHTPKZQQ-NRFANRHFSA-N 2 2 413.566 3.533 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533110 967231826 /nfs/dbraw/zinc/23/18/26/967231826.db2.gz VHLNKRSGLAFUDC-NSHDSACASA-N 2 2 406.162 3.652 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533110 967231833 /nfs/dbraw/zinc/23/18/33/967231833.db2.gz VHLNKRSGLAFUDC-NSHDSACASA-N 2 2 406.162 3.652 20 0 HHADLP CC1CC[NH+](CCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000045122657 967357738 /nfs/dbraw/zinc/35/77/38/967357738.db2.gz FVFRPXUKPCVUBD-WOJBJXKFSA-N 2 2 402.583 3.539 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065523646 967506393 /nfs/dbraw/zinc/50/63/93/967506393.db2.gz JXXUGBKARGDIAF-KDURUIRLSA-N 2 2 401.599 3.628 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065523646 967506403 /nfs/dbraw/zinc/50/64/03/967506403.db2.gz JXXUGBKARGDIAF-KDURUIRLSA-N 2 2 401.599 3.628 20 0 HHADLP c1ccc(-c2cccc3c2OCC[C@@H]3[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000542907523 1013748929 /nfs/dbraw/zinc/74/89/29/1013748929.db2.gz LEZTXGPAJRUPTQ-VWLOTQADSA-N 2 2 421.585 3.563 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196461 1013752879 /nfs/dbraw/zinc/75/28/79/1013752879.db2.gz IKONKFZGHAICTA-NVQXNPDNSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196461 1013752881 /nfs/dbraw/zinc/75/28/81/1013752881.db2.gz IKONKFZGHAICTA-NVQXNPDNSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196458 1013752934 /nfs/dbraw/zinc/75/29/34/1013752934.db2.gz IKONKFZGHAICTA-ATIYNZHBSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538196458 1013752938 /nfs/dbraw/zinc/75/29/38/1013752938.db2.gz IKONKFZGHAICTA-ATIYNZHBSA-N 3 2 422.617 3.599 20 0 HHADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000538237310 1013786126 /nfs/dbraw/zinc/78/61/26/1013786126.db2.gz NFPBOJCWXTUKGY-OAQYLSRUSA-N 2 2 414.553 3.744 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000047778051 968309778 /nfs/dbraw/zinc/30/97/78/968309778.db2.gz GXCZALGWKAGMOK-HKUYNNGSSA-N 2 2 416.591 3.614 20 0 HHADLP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000047778051 968309784 /nfs/dbraw/zinc/30/97/84/968309784.db2.gz GXCZALGWKAGMOK-HKUYNNGSSA-N 2 2 416.591 3.614 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109677 1013801718 /nfs/dbraw/zinc/80/17/18/1013801718.db2.gz ZZZIJUUQIYTDLG-KXBFYZLASA-N 2 2 419.570 3.939 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)n2)C1 ZINC000554109677 1013801724 /nfs/dbraw/zinc/80/17/24/1013801724.db2.gz ZZZIJUUQIYTDLG-KXBFYZLASA-N 2 2 419.570 3.939 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(SC(F)F)cc1 ZINC000066007479 968767959 /nfs/dbraw/zinc/76/79/59/968767959.db2.gz UCTLZVFLDITVAA-UHFFFAOYSA-N 2 2 402.580 3.656 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(SC(F)F)cc1 ZINC000066007479 968767966 /nfs/dbraw/zinc/76/79/66/968767966.db2.gz UCTLZVFLDITVAA-UHFFFAOYSA-N 2 2 402.580 3.656 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H](C)O1 ZINC000071923034 968889536 /nfs/dbraw/zinc/88/95/36/968889536.db2.gz LGRZTECCJBTYOV-HLIPFELVSA-N 2 2 416.591 3.782 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000097287731 969116572 /nfs/dbraw/zinc/11/65/72/969116572.db2.gz IGOMAZZFROZEEE-XMMPIXPASA-N 2 2 412.537 3.534 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000097287731 969116580 /nfs/dbraw/zinc/11/65/80/969116580.db2.gz IGOMAZZFROZEEE-XMMPIXPASA-N 2 2 412.537 3.534 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1Cl ZINC000554215185 1013857342 /nfs/dbraw/zinc/85/73/42/1013857342.db2.gz ZZECAKNVSPIQAH-LJQANCHMSA-N 2 2 403.958 3.755 20 0 HHADLP COCC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000554220850 1013859727 /nfs/dbraw/zinc/85/97/27/1013859727.db2.gz FWVQUYGJTGQVLF-VXKWHMMOSA-N 2 2 409.574 3.601 20 0 HHADLP COCC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000554220850 1013859733 /nfs/dbraw/zinc/85/97/33/1013859733.db2.gz FWVQUYGJTGQVLF-VXKWHMMOSA-N 2 2 409.574 3.601 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCCCCC1 ZINC000107938930 969346761 /nfs/dbraw/zinc/34/67/61/969346761.db2.gz GMPCXOWLHCQZBI-OAQYLSRUSA-N 2 2 401.599 3.772 20 0 HHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139864208 970049860 /nfs/dbraw/zinc/04/98/60/970049860.db2.gz BIMSZVOTCDFZLT-IBGZPJMESA-N 2 2 401.580 3.668 20 0 HHADLP CCCCOc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000216000753 970059346 /nfs/dbraw/zinc/05/93/46/970059346.db2.gz JGWKEPYHMAKJPB-UHFFFAOYSA-N 2 2 402.583 3.854 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000141732414 970128511 /nfs/dbraw/zinc/12/85/11/970128511.db2.gz SSPUVTMGCTVHOF-XMMPIXPASA-N 2 2 417.557 3.876 20 0 HHADLP c1ccc(OCc2cccnc2)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000236697278 970157752 /nfs/dbraw/zinc/15/77/52/970157752.db2.gz RIHVGZNPIQKUEU-UHFFFAOYSA-N 2 2 403.526 3.783 20 0 HHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236717809 970161309 /nfs/dbraw/zinc/16/13/09/970161309.db2.gz XGDKEMYZFKXVRL-JOCHJYFZSA-N 2 2 424.614 3.842 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000236716253 970161535 /nfs/dbraw/zinc/16/15/35/970161535.db2.gz WYTFIOVDOODYGZ-UHFFFAOYSA-N 2 2 416.569 3.963 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)C1 ZINC000236867316 970182371 /nfs/dbraw/zinc/18/23/71/970182371.db2.gz VTLPCNWROMRKBX-QFBILLFUSA-N 2 2 417.575 3.765 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H](C)C1 ZINC000236867316 970182377 /nfs/dbraw/zinc/18/23/77/970182377.db2.gz VTLPCNWROMRKBX-QFBILLFUSA-N 2 2 417.575 3.765 20 0 HHADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1)c1ccccc1 ZINC000237526469 970308000 /nfs/dbraw/zinc/30/80/00/970308000.db2.gz QWYDDKYPGFZVCQ-IBGZPJMESA-N 2 2 417.594 3.876 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000237854150 970381746 /nfs/dbraw/zinc/38/17/46/970381746.db2.gz BLLUHWHQXMDPGN-UHFFFAOYSA-N 2 2 422.356 3.944 20 0 HHADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(Cl)cccc3Cl)c2)C1 ZINC000237915183 970393372 /nfs/dbraw/zinc/39/33/72/970393372.db2.gz RZSNVVAMEQJSLV-QGZVFWFLSA-N 2 2 406.357 3.981 20 0 HHADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3c(Cl)cccc3Cl)c2)C1 ZINC000237915183 970393378 /nfs/dbraw/zinc/39/33/78/970393378.db2.gz RZSNVVAMEQJSLV-QGZVFWFLSA-N 2 2 406.357 3.981 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150178247 970431398 /nfs/dbraw/zinc/43/13/98/970431398.db2.gz IPSGCXSRLHIQHH-UHFFFAOYSA-N 2 2 417.557 3.643 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(Oc3cccnc3)cc2)([NH+]2CCCCC2)CC1 ZINC000303962423 972547763 /nfs/dbraw/zinc/54/77/63/972547763.db2.gz OFGGXTJFBOJKLR-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660674 972827770 /nfs/dbraw/zinc/82/77/70/972827770.db2.gz LRFUZPMCOUNQOD-FGZHOGPDSA-N 2 2 417.594 3.657 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660674 972827782 /nfs/dbraw/zinc/82/77/82/972827782.db2.gz LRFUZPMCOUNQOD-FGZHOGPDSA-N 2 2 417.594 3.657 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959161 972873237 /nfs/dbraw/zinc/87/32/37/972873237.db2.gz CYOSFOBWZKSBRT-OXJNMPFZSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000397959161 972873246 /nfs/dbraw/zinc/87/32/46/972873246.db2.gz CYOSFOBWZKSBRT-OXJNMPFZSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005179 972875336 /nfs/dbraw/zinc/87/53/36/972875336.db2.gz YQQSWJMMPYZAGX-VQIMIIECSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005179 972875346 /nfs/dbraw/zinc/87/53/46/972875346.db2.gz YQQSWJMMPYZAGX-VQIMIIECSA-N 2 2 416.363 3.888 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000554841923 1014071014 /nfs/dbraw/zinc/07/10/14/1014071014.db2.gz PCIRTBOPGQLABE-QFIPXVFZSA-N 2 2 413.993 3.889 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000554841923 1014071021 /nfs/dbraw/zinc/07/10/21/1014071021.db2.gz PCIRTBOPGQLABE-QFIPXVFZSA-N 2 2 413.993 3.889 20 0 HHADLP C[C@H](Oc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000409558777 973012439 /nfs/dbraw/zinc/01/24/39/973012439.db2.gz ZIORZEBQOMUFER-FQEVSTJZSA-N 2 2 409.574 3.925 20 0 HHADLP C[C@H](Oc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000409558777 973012446 /nfs/dbraw/zinc/01/24/46/973012446.db2.gz ZIORZEBQOMUFER-FQEVSTJZSA-N 2 2 409.574 3.925 20 0 HHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760098 973235957 /nfs/dbraw/zinc/23/59/57/973235957.db2.gz JBXLDBYNVDMBFP-UXHICEINSA-N 2 2 401.599 3.619 20 0 HHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409760098 973235962 /nfs/dbraw/zinc/23/59/62/973235962.db2.gz JBXLDBYNVDMBFP-UXHICEINSA-N 2 2 401.599 3.619 20 0 HHADLP CSc1ccccc1[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000410101480 973577288 /nfs/dbraw/zinc/57/72/88/973577288.db2.gz NLGHIVUCNMCOAI-GOSISDBHSA-N 2 2 404.624 3.719 20 0 HHADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775281 974651704 /nfs/dbraw/zinc/65/17/04/974651704.db2.gz ADZNQYZXVCFUEH-ZCNNSNEGSA-N 2 2 412.578 3.933 20 0 HHADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426775281 974651707 /nfs/dbraw/zinc/65/17/07/974651707.db2.gz ADZNQYZXVCFUEH-ZCNNSNEGSA-N 2 2 412.578 3.933 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)C[C@@H](C)O1 ZINC000426796292 974666888 /nfs/dbraw/zinc/66/68/88/974666888.db2.gz BMELKSVBFRCKFY-HZPDHXFCSA-N 2 2 418.969 3.700 20 0 HHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426796293 974667079 /nfs/dbraw/zinc/66/70/79/974667079.db2.gz BMELKSVBFRCKFY-IYBDPMFKSA-N 2 2 418.969 3.700 20 0 HHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)C[C@H](C)O1 ZINC000426796293 974667085 /nfs/dbraw/zinc/66/70/85/974667085.db2.gz BMELKSVBFRCKFY-IYBDPMFKSA-N 2 2 418.969 3.700 20 0 HHADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000426801352 974670076 /nfs/dbraw/zinc/67/00/76/974670076.db2.gz QZXREJHIHVMZRK-GUDVDZBRSA-N 2 2 408.587 3.515 20 0 HHADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288983 975026865 /nfs/dbraw/zinc/02/68/65/975026865.db2.gz SCWWLHVJPMLAKY-SFHVURJKSA-N 2 2 403.464 3.571 20 0 HHADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288983 975026869 /nfs/dbraw/zinc/02/68/69/975026869.db2.gz SCWWLHVJPMLAKY-SFHVURJKSA-N 2 2 403.464 3.571 20 0 HHADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288983 975026874 /nfs/dbraw/zinc/02/68/74/975026874.db2.gz SCWWLHVJPMLAKY-SFHVURJKSA-N 2 2 403.464 3.571 20 0 HHADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CCC(F)(F)F ZINC000427288983 975026878 /nfs/dbraw/zinc/02/68/78/975026878.db2.gz SCWWLHVJPMLAKY-SFHVURJKSA-N 2 2 403.464 3.571 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428346761 975659517 /nfs/dbraw/zinc/65/95/17/975659517.db2.gz IEEDUNZGLFAYLI-HYBUGGRVSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428346761 975659524 /nfs/dbraw/zinc/65/95/24/975659524.db2.gz IEEDUNZGLFAYLI-HYBUGGRVSA-N 2 2 417.557 3.784 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428478789 975777262 /nfs/dbraw/zinc/77/72/62/975777262.db2.gz JHPRJATXNLTIJB-RXVVDRJESA-N 2 2 421.520 3.864 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000428478789 975777273 /nfs/dbraw/zinc/77/72/73/975777273.db2.gz JHPRJATXNLTIJB-RXVVDRJESA-N 2 2 421.520 3.864 20 0 HHADLP Clc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc2c1OCCCO2 ZINC000428538110 975836794 /nfs/dbraw/zinc/83/67/94/975836794.db2.gz NDHCJDYXOTZYAY-FQEVSTJZSA-N 2 2 416.949 3.882 20 0 HHADLP Clc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc2c1OCCCO2 ZINC000428538110 975836807 /nfs/dbraw/zinc/83/68/07/975836807.db2.gz NDHCJDYXOTZYAY-FQEVSTJZSA-N 2 2 416.949 3.882 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428546050 975851694 /nfs/dbraw/zinc/85/16/94/975851694.db2.gz KECTZHSCNRMPPX-IBGZPJMESA-N 2 2 406.473 3.677 20 0 HHADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428546050 975851707 /nfs/dbraw/zinc/85/17/07/975851707.db2.gz KECTZHSCNRMPPX-IBGZPJMESA-N 2 2 406.473 3.677 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000428566643 975879069 /nfs/dbraw/zinc/87/90/69/975879069.db2.gz MUONPZKPWFQXTO-UHFFFAOYSA-N 2 2 409.578 3.937 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428995565 976276451 /nfs/dbraw/zinc/27/64/51/976276451.db2.gz OTBGXVAPNIFZKZ-XMMPIXPASA-N 2 2 411.594 3.922 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000428995565 976276467 /nfs/dbraw/zinc/27/64/67/976276467.db2.gz OTBGXVAPNIFZKZ-XMMPIXPASA-N 2 2 411.594 3.922 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429420207 976698640 /nfs/dbraw/zinc/69/86/40/976698640.db2.gz CJVCATKQXRLDDI-GUXMJAIHSA-N 2 2 419.569 3.700 20 0 HHADLP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429420207 976698643 /nfs/dbraw/zinc/69/86/43/976698643.db2.gz CJVCATKQXRLDDI-GUXMJAIHSA-N 2 2 419.569 3.700 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442489 976721303 /nfs/dbraw/zinc/72/13/03/976721303.db2.gz LAGUNVVSRBWDRW-XMSQKQJNSA-N 2 2 411.546 3.595 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1NC(C)=O ZINC000429442489 976721311 /nfs/dbraw/zinc/72/13/11/976721311.db2.gz LAGUNVVSRBWDRW-XMSQKQJNSA-N 2 2 411.546 3.595 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540603 976804055 /nfs/dbraw/zinc/80/40/55/976804055.db2.gz UABCXWANGVADPY-LPHOPBHVSA-N 2 2 408.384 3.669 20 0 HHADLP Cc1cc(N2CCC[C@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)ccc1Br ZINC000429540603 976804064 /nfs/dbraw/zinc/80/40/64/976804064.db2.gz UABCXWANGVADPY-LPHOPBHVSA-N 2 2 408.384 3.669 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000429723627 977014441 /nfs/dbraw/zinc/01/44/41/977014441.db2.gz VDMZWPOSZSDCBH-MRXNPFEDSA-N 2 2 410.436 3.692 20 0 HHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814548 977087718 /nfs/dbraw/zinc/08/77/18/977087718.db2.gz MHKLXOJOKYFEEV-UZLBHIALSA-N 2 2 411.512 3.859 20 0 HHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814548 977087728 /nfs/dbraw/zinc/08/77/28/977087728.db2.gz MHKLXOJOKYFEEV-UZLBHIALSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814548 977087738 /nfs/dbraw/zinc/08/77/38/977087738.db2.gz MHKLXOJOKYFEEV-UZLBHIALSA-N 2 2 411.512 3.859 20 0 HHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C)C1 ZINC000429814548 977087750 /nfs/dbraw/zinc/08/77/50/977087750.db2.gz MHKLXOJOKYFEEV-UZLBHIALSA-N 2 2 411.512 3.859 20 0 HHADLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134219 977338705 /nfs/dbraw/zinc/33/87/05/977338705.db2.gz QNHFGLPXVCTPFC-RUZDIDTESA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134219 977338713 /nfs/dbraw/zinc/33/87/13/977338713.db2.gz QNHFGLPXVCTPFC-RUZDIDTESA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134219 977338717 /nfs/dbraw/zinc/33/87/17/977338717.db2.gz QNHFGLPXVCTPFC-RUZDIDTESA-N 2 2 423.557 3.630 20 0 HHADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000430134219 977338723 /nfs/dbraw/zinc/33/87/23/977338723.db2.gz QNHFGLPXVCTPFC-RUZDIDTESA-N 2 2 423.557 3.630 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000430180848 977374394 /nfs/dbraw/zinc/37/43/94/977374394.db2.gz SBIXYLHGDGAMKR-RBUKOAKNSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000430180848 977374401 /nfs/dbraw/zinc/37/44/01/977374401.db2.gz SBIXYLHGDGAMKR-RBUKOAKNSA-N 2 2 417.985 3.869 20 0 HHADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430183692 977377094 /nfs/dbraw/zinc/37/70/94/977377094.db2.gz BODUVTSYKDJFRG-SFHVURJKSA-N 2 2 403.958 3.623 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccccc3Br)CCC2)CC1 ZINC000430215589 977396393 /nfs/dbraw/zinc/39/63/93/977396393.db2.gz CVAKHVHNJVWCQR-UHFFFAOYSA-N 2 2 423.395 3.878 20 0 HHADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000430237550 977410703 /nfs/dbraw/zinc/41/07/03/977410703.db2.gz FLBMGXRBCIVULY-HXUWFJFHSA-N 2 2 422.411 3.883 20 0 HHADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Br ZINC000430237550 977410706 /nfs/dbraw/zinc/41/07/06/977410706.db2.gz FLBMGXRBCIVULY-HXUWFJFHSA-N 2 2 422.411 3.883 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000430283157 977446388 /nfs/dbraw/zinc/44/63/88/977446388.db2.gz IPTZFRVIMKGCNO-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP CN(C(=O)NCc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430283157 977446393 /nfs/dbraw/zinc/44/63/93/977446393.db2.gz IPTZFRVIMKGCNO-NHCUHLMSSA-N 2 2 424.992 3.958 20 0 HHADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000430710698 977706556 /nfs/dbraw/zinc/70/65/56/977706556.db2.gz TYMOVQPPNPLWLD-BGYRXZFFSA-N 2 2 412.578 3.680 20 0 HHADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000430710698 977706565 /nfs/dbraw/zinc/70/65/65/977706565.db2.gz TYMOVQPPNPLWLD-BGYRXZFFSA-N 2 2 412.578 3.680 20 0 HHADLP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000430823628 977778812 /nfs/dbraw/zinc/77/88/12/977778812.db2.gz UDOFHYHPGKHPQD-JWQCQUIFSA-N 2 2 405.542 3.996 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000430950133 977909234 /nfs/dbraw/zinc/90/92/34/977909234.db2.gz GFTFOFYAHZEJQO-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000430950133 977909243 /nfs/dbraw/zinc/90/92/43/977909243.db2.gz GFTFOFYAHZEJQO-UHFFFAOYSA-N 3 2 413.585 3.640 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430955561 977911716 /nfs/dbraw/zinc/91/17/16/977911716.db2.gz ZEVBHHYMWKHXQL-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430955561 977911722 /nfs/dbraw/zinc/91/17/22/977911722.db2.gz ZEVBHHYMWKHXQL-NRFANRHFSA-N 3 2 414.638 3.759 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000431207265 978092650 /nfs/dbraw/zinc/09/26/50/978092650.db2.gz MQKFVEISJIJFGP-PMACEKPBSA-N 2 2 413.566 3.984 20 0 HHADLP C[C@H](CC[NH+]1CCC(Oc2ccccn2)CC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000431612543 978384208 /nfs/dbraw/zinc/38/42/08/978384208.db2.gz XYALBJQJAAVKAF-HXUWFJFHSA-N 2 2 410.562 3.642 20 0 HHADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431801936 978524962 /nfs/dbraw/zinc/52/49/62/978524962.db2.gz QNSUDRFOEYSMBH-XUZZJYLKSA-N 2 2 416.569 3.985 20 0 HHADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431801936 978524970 /nfs/dbraw/zinc/52/49/70/978524970.db2.gz QNSUDRFOEYSMBH-XUZZJYLKSA-N 2 2 416.569 3.985 20 0 HHADLP CCC[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431823660 978538398 /nfs/dbraw/zinc/53/83/98/978538398.db2.gz RJIXETOAMHDDCB-DEOSSOPVSA-N 2 2 416.569 3.987 20 0 HHADLP CCC[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431823660 978538402 /nfs/dbraw/zinc/53/84/02/978538402.db2.gz RJIXETOAMHDDCB-DEOSSOPVSA-N 2 2 416.569 3.987 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000431911146 978594837 /nfs/dbraw/zinc/59/48/37/978594837.db2.gz XXMYNTAAHXISGP-MOPGFXCFSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1ccc(-c2cc[nH]n2)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000431911146 978594842 /nfs/dbraw/zinc/59/48/42/978594842.db2.gz XXMYNTAAHXISGP-MOPGFXCFSA-N 2 2 415.607 3.547 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3F)CC2)CC1 ZINC000432375775 978784944 /nfs/dbraw/zinc/78/49/44/978784944.db2.gz SZZZSMCSIYQXOV-QFIPXVFZSA-N 2 2 420.548 3.760 20 0 HHADLP CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433127419 979087398 /nfs/dbraw/zinc/08/73/98/979087398.db2.gz SMVFBDPFDLRGFU-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP CC(=O)c1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433127419 979087409 /nfs/dbraw/zinc/08/74/09/979087409.db2.gz SMVFBDPFDLRGFU-UHFFFAOYSA-N 2 2 405.542 3.816 20 0 HHADLP C[NH+](C)[C@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000433770818 979562345 /nfs/dbraw/zinc/56/23/45/979562345.db2.gz JPBWKDWSWNETPR-QZTJIDSGSA-N 2 2 423.483 3.561 20 0 HHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(C(F)(F)F)cc1 ZINC000434083643 979831273 /nfs/dbraw/zinc/83/12/73/979831273.db2.gz DRVWPKKNBLOFIB-GOSISDBHSA-N 2 2 423.483 3.827 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434102176 979852539 /nfs/dbraw/zinc/85/25/39/979852539.db2.gz QCDPLGBHKJFESA-HSZRJFAPSA-N 2 2 408.546 3.821 20 0 HHADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434271149 980032841 /nfs/dbraw/zinc/03/28/41/980032841.db2.gz VRKCOCDTCFRCER-SFHVURJKSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434271149 980032847 /nfs/dbraw/zinc/03/28/47/980032847.db2.gz VRKCOCDTCFRCER-SFHVURJKSA-N 2 2 401.599 3.619 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000434389961 980134396 /nfs/dbraw/zinc/13/43/96/980134396.db2.gz ZSQUOEWSZNHROA-RTBURBONSA-N 2 2 422.451 3.566 20 0 HHADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434679234 980335050 /nfs/dbraw/zinc/33/50/50/980335050.db2.gz BJNIROFHANELGW-QGZVFWFLSA-N 2 2 403.530 3.974 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000434985713 980550951 /nfs/dbraw/zinc/55/09/51/980550951.db2.gz KFQYCYFHFFCUCJ-QHCPKHFHSA-N 2 2 400.526 3.763 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@@H](C)O1 ZINC000436018826 981159138 /nfs/dbraw/zinc/15/91/38/981159138.db2.gz LOKNUFLQUCOHGU-RTBURBONSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235345 981644812 /nfs/dbraw/zinc/64/48/12/981644812.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)C1 ZINC000448235345 981644820 /nfs/dbraw/zinc/64/48/20/981644820.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)C1 ZINC000448235345 981644826 /nfs/dbraw/zinc/64/48/26/981644826.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 2 417.623 3.856 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)C1 ZINC000448235345 981644829 /nfs/dbraw/zinc/64/48/29/981644829.db2.gz WQGQQZNRUWGTQA-FUHIMQAGSA-N 2 2 417.623 3.856 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(N(C)c4ccccc4)nc3)CC2)CC1 ZINC000437140909 981790788 /nfs/dbraw/zinc/79/07/88/981790788.db2.gz IIZXRYUQMGPZHK-UHFFFAOYSA-N 2 2 407.606 3.840 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460110655 981885875 /nfs/dbraw/zinc/88/58/75/981885875.db2.gz MRKAJJSNSSOTFO-DHIUTWEWSA-N 2 2 415.541 3.536 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460110655 981885880 /nfs/dbraw/zinc/88/58/80/981885880.db2.gz MRKAJJSNSSOTFO-DHIUTWEWSA-N 2 2 415.541 3.536 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000460500273 982288631 /nfs/dbraw/zinc/28/86/31/982288631.db2.gz CHCVEHPFCYQJFJ-NRFANRHFSA-N 2 2 415.622 3.952 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)([NH+]2CCCCC2)CC1 ZINC000460503924 982292891 /nfs/dbraw/zinc/29/28/91/982292891.db2.gz NARWALKVFZVMEO-PMACEKPBSA-N 2 2 423.523 3.875 20 0 HHADLP CC(=O)c1ccc(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)o2)cc1 ZINC000460506661 982295604 /nfs/dbraw/zinc/29/56/04/982295604.db2.gz CKOCUYDDWMRILD-UHFFFAOYSA-N 2 2 423.557 3.829 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1COCc1ccccc1 ZINC000437772527 982347042 /nfs/dbraw/zinc/34/70/42/982347042.db2.gz JDRJRQUSUWDFIK-UHFFFAOYSA-N 2 2 424.589 3.893 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1COCc1ccccc1 ZINC000437772527 982347049 /nfs/dbraw/zinc/34/70/49/982347049.db2.gz JDRJRQUSUWDFIK-UHFFFAOYSA-N 2 2 424.589 3.893 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000437891941 982442391 /nfs/dbraw/zinc/44/23/91/982442391.db2.gz WNDOBEJRIVBOGD-VQIMIIECSA-N 2 2 422.976 3.585 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cc(C(F)(F)F)ccc2F)([NH+]2CCCCC2)CC1 ZINC000437978213 982502488 /nfs/dbraw/zinc/50/24/88/982502488.db2.gz UMZNSIKGGQUVOG-UHFFFAOYSA-N 2 2 416.463 3.916 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103851 982590347 /nfs/dbraw/zinc/59/03/47/982590347.db2.gz LIDWIKQQXSGCFO-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103851 982590351 /nfs/dbraw/zinc/59/03/51/982590351.db2.gz LIDWIKQQXSGCFO-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103851 982590356 /nfs/dbraw/zinc/59/03/56/982590356.db2.gz LIDWIKQQXSGCFO-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000438103851 982590360 /nfs/dbraw/zinc/59/03/60/982590360.db2.gz LIDWIKQQXSGCFO-XMSQKQJNSA-N 2 2 412.578 3.548 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCC3)CC2)CC1 ZINC000460933581 982671576 /nfs/dbraw/zinc/67/15/76/982671576.db2.gz GHTOAAANKJRCIR-UHFFFAOYSA-N 2 2 423.523 3.802 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000438310329 982715093 /nfs/dbraw/zinc/71/50/93/982715093.db2.gz ZJUGWRPYNZRBMF-UHFFFAOYSA-N 2 2 402.583 3.636 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000438310329 982715096 /nfs/dbraw/zinc/71/50/96/982715096.db2.gz ZJUGWRPYNZRBMF-UHFFFAOYSA-N 2 2 402.583 3.636 20 0 HHADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602280 983467385 /nfs/dbraw/zinc/46/73/85/983467385.db2.gz FHACRYHJZKXNMQ-ZWOKBUDYSA-N 2 2 404.580 4.215 20 0 HHADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(=O)Nc1cc(C)on1 ZINC000439602280 983467388 /nfs/dbraw/zinc/46/73/88/983467388.db2.gz FHACRYHJZKXNMQ-ZWOKBUDYSA-N 2 2 404.580 4.215 20 0 HHADLP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805935 983545543 /nfs/dbraw/zinc/54/55/43/983545543.db2.gz KVBVPADIZDKEGR-DVECYGJZSA-N 2 2 408.590 3.824 20 0 HHADLP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000439805935 983545544 /nfs/dbraw/zinc/54/55/44/983545544.db2.gz KVBVPADIZDKEGR-DVECYGJZSA-N 2 2 408.590 3.824 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000439956539 983594226 /nfs/dbraw/zinc/59/42/26/983594226.db2.gz ASUXVSJULPHSBZ-UHFFFAOYSA-N 2 2 421.629 3.963 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000439956539 983594229 /nfs/dbraw/zinc/59/42/29/983594229.db2.gz ASUXVSJULPHSBZ-UHFFFAOYSA-N 2 2 421.629 3.963 20 0 HHADLP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000439994936 983609957 /nfs/dbraw/zinc/60/99/57/983609957.db2.gz PLGYTPHBAMFQKL-QHCPKHFHSA-N 2 2 402.542 3.606 20 0 HHADLP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000439994936 983609973 /nfs/dbraw/zinc/60/99/73/983609973.db2.gz PLGYTPHBAMFQKL-QHCPKHFHSA-N 2 2 402.542 3.606 20 0 HHADLP CCC[N@H+](Cc1nc(CCC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455076 983763313 /nfs/dbraw/zinc/76/33/13/983763313.db2.gz TXXJHBJSPJRBJU-UHFFFAOYSA-N 2 2 400.571 3.946 20 0 HHADLP CCC[N@@H+](Cc1nc(CCC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440455076 983763315 /nfs/dbraw/zinc/76/33/15/983763315.db2.gz TXXJHBJSPJRBJU-UHFFFAOYSA-N 2 2 400.571 3.946 20 0 HHADLP CC[N@H+](CCC(=O)N1CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699669 983858986 /nfs/dbraw/zinc/85/89/86/983858986.db2.gz CSRQGFANYQNRHL-IBGZPJMESA-N 2 2 401.599 3.600 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440699669 983858995 /nfs/dbraw/zinc/85/89/95/983858995.db2.gz CSRQGFANYQNRHL-IBGZPJMESA-N 2 2 401.599 3.600 20 0 HHADLP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698929 983859056 /nfs/dbraw/zinc/85/90/56/983859056.db2.gz ALIQXVOLATXRKO-WOJBJXKFSA-N 2 2 415.626 3.989 20 0 HHADLP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698929 983859065 /nfs/dbraw/zinc/85/90/65/983859065.db2.gz ALIQXVOLATXRKO-WOJBJXKFSA-N 2 2 415.626 3.989 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258630 984143389 /nfs/dbraw/zinc/14/33/89/984143389.db2.gz SZPHRNKYRRJHFR-DNVJHFABSA-N 2 2 405.627 3.664 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258630 984143391 /nfs/dbraw/zinc/14/33/91/984143391.db2.gz SZPHRNKYRRJHFR-DNVJHFABSA-N 2 2 405.627 3.664 20 0 HHADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392149 984226548 /nfs/dbraw/zinc/22/65/48/984226548.db2.gz IHMZBMJCBQAGSZ-YVIAOSTFSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392149 984226557 /nfs/dbraw/zinc/22/65/57/984226557.db2.gz IHMZBMJCBQAGSZ-YVIAOSTFSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392149 984226565 /nfs/dbraw/zinc/22/65/65/984226565.db2.gz IHMZBMJCBQAGSZ-YVIAOSTFSA-N 3 2 414.682 3.662 20 0 HHADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441392149 984226571 /nfs/dbraw/zinc/22/65/71/984226571.db2.gz IHMZBMJCBQAGSZ-YVIAOSTFSA-N 3 2 414.682 3.662 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404374 984234177 /nfs/dbraw/zinc/23/41/77/984234177.db2.gz NFXGPSUNZBRASD-KNQAVFIVSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404374 984234179 /nfs/dbraw/zinc/23/41/79/984234179.db2.gz NFXGPSUNZBRASD-KNQAVFIVSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404374 984234183 /nfs/dbraw/zinc/23/41/83/984234183.db2.gz NFXGPSUNZBRASD-KNQAVFIVSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441404374 984234187 /nfs/dbraw/zinc/23/41/87/984234187.db2.gz NFXGPSUNZBRASD-KNQAVFIVSA-N 2 2 401.570 3.902 20 0 HHADLP O=C1[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405010 984234932 /nfs/dbraw/zinc/23/49/32/984234932.db2.gz JQHCTGAOTGDKFY-ORYQWCPZSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405010 984234933 /nfs/dbraw/zinc/23/49/33/984234933.db2.gz JQHCTGAOTGDKFY-ORYQWCPZSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405010 984234938 /nfs/dbraw/zinc/23/49/38/984234938.db2.gz JQHCTGAOTGDKFY-ORYQWCPZSA-N 2 2 419.516 3.732 20 0 HHADLP O=C1[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000441405010 984234941 /nfs/dbraw/zinc/23/49/41/984234941.db2.gz JQHCTGAOTGDKFY-ORYQWCPZSA-N 2 2 419.516 3.732 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C)c1 ZINC000441495413 984286962 /nfs/dbraw/zinc/28/69/62/984286962.db2.gz BRANJJPHQUYODX-LADGPHEKSA-N 2 2 419.573 3.713 20 0 HHADLP CCC[C@@H]1CCc2nc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000441938890 984552970 /nfs/dbraw/zinc/55/29/70/984552970.db2.gz YBGLQBXZRVFBIY-MRXNPFEDSA-N 2 2 407.628 3.538 20 0 HHADLP CCC[C@@H]1CCc2nc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000441938890 984552973 /nfs/dbraw/zinc/55/29/73/984552973.db2.gz YBGLQBXZRVFBIY-MRXNPFEDSA-N 2 2 407.628 3.538 20 0 HHADLP CCC[C@H]1CCc2nc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)sc2C1 ZINC000441953517 984563112 /nfs/dbraw/zinc/56/31/12/984563112.db2.gz RFPYNUCXBCJULC-INIZCTEOSA-N 2 2 419.639 3.728 20 0 HHADLP CC[C@H](C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](CC)CC ZINC000461654249 984673378 /nfs/dbraw/zinc/67/33/78/984673378.db2.gz ISUIMORBCAPPSD-HXUWFJFHSA-N 2 2 403.615 3.846 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000442237060 984758112 /nfs/dbraw/zinc/75/81/12/984758112.db2.gz NNCDFXBFRAHWDT-NKKJXINNSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000442237060 984758119 /nfs/dbraw/zinc/75/81/19/984758119.db2.gz NNCDFXBFRAHWDT-NKKJXINNSA-N 2 2 421.589 3.900 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1 ZINC000442239489 984760620 /nfs/dbraw/zinc/76/06/20/984760620.db2.gz LGOJDZQPOUVWJP-FYYLOGMGSA-N 2 2 409.578 3.901 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000462084238 985055823 /nfs/dbraw/zinc/05/58/23/985055823.db2.gz LSRBFBPGZZUCKQ-UHFFFAOYSA-N 2 2 421.585 3.825 20 0 HHADLP Cc1cc(N2CC[NH+]([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)cc[nH+]1 ZINC000462106650 985077004 /nfs/dbraw/zinc/07/70/04/985077004.db2.gz XZLYOBDNTOBPCB-XMMPIXPASA-N 2 2 400.526 3.570 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000462195648 985178813 /nfs/dbraw/zinc/17/88/13/985178813.db2.gz MDRCYFDGMVDVNG-INIZCTEOSA-N 2 2 404.555 3.537 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000462202128 985184429 /nfs/dbraw/zinc/18/44/29/985184429.db2.gz LPGQETIOGKYOGA-MRXNPFEDSA-N 2 2 404.555 3.537 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254254 985238020 /nfs/dbraw/zinc/23/80/20/985238020.db2.gz BQAOUZUHSKFYCO-UGKGYDQZSA-N 2 2 419.529 3.604 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000462254254 985238030 /nfs/dbraw/zinc/23/80/30/985238030.db2.gz BQAOUZUHSKFYCO-UGKGYDQZSA-N 2 2 419.529 3.604 20 0 HHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889311 985261988 /nfs/dbraw/zinc/26/19/88/985261988.db2.gz DRGQYTGDBCIYIH-QZTJIDSGSA-N 2 2 411.384 3.923 20 0 HHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889311 985261999 /nfs/dbraw/zinc/26/19/99/985261999.db2.gz DRGQYTGDBCIYIH-QZTJIDSGSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889311 985262012 /nfs/dbraw/zinc/26/20/12/985262012.db2.gz DRGQYTGDBCIYIH-QZTJIDSGSA-N 2 2 411.384 3.923 20 0 HHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442889311 985262025 /nfs/dbraw/zinc/26/20/25/985262025.db2.gz DRGQYTGDBCIYIH-QZTJIDSGSA-N 2 2 411.384 3.923 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000462520622 985470266 /nfs/dbraw/zinc/47/02/66/985470266.db2.gz JXFYVPKXVWOUJK-HSALFYBXSA-N 2 2 406.640 3.894 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000462520622 985470269 /nfs/dbraw/zinc/47/02/69/985470269.db2.gz JXFYVPKXVWOUJK-HSALFYBXSA-N 2 2 406.640 3.894 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000462524771 985474702 /nfs/dbraw/zinc/47/47/02/985474702.db2.gz JUIUTCQQVFEWLI-IBGZPJMESA-N 2 2 412.603 3.932 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000443342643 985507706 /nfs/dbraw/zinc/50/77/06/985507706.db2.gz FHQUMXKRWOJYTH-UHFFFAOYSA-N 2 2 422.504 3.593 20 0 HHADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1c1ccc(F)c(F)c1 ZINC000462585922 985531656 /nfs/dbraw/zinc/53/16/56/985531656.db2.gz BMRGPMAPHJBCCM-PZJWPPBQSA-N 2 2 418.488 3.502 20 0 HHADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1c1ccc(F)c(F)c1 ZINC000462585922 985531664 /nfs/dbraw/zinc/53/16/64/985531664.db2.gz BMRGPMAPHJBCCM-PZJWPPBQSA-N 2 2 418.488 3.502 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462610580 985553860 /nfs/dbraw/zinc/55/38/60/985553860.db2.gz CPRRPQFRXHFGHC-NHCUHLMSSA-N 2 2 422.013 3.687 20 0 HHADLP COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462610580 985553869 /nfs/dbraw/zinc/55/38/69/985553869.db2.gz CPRRPQFRXHFGHC-NHCUHLMSSA-N 2 2 422.013 3.687 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462614733 985557988 /nfs/dbraw/zinc/55/79/88/985557988.db2.gz KFXFDSVDXQFWRV-SFTDATJTSA-N 2 2 419.997 3.684 20 0 HHADLP CN(C(=O)c1cc(Cl)cc2c1OCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462614733 985557996 /nfs/dbraw/zinc/55/79/96/985557996.db2.gz KFXFDSVDXQFWRV-SFTDATJTSA-N 2 2 419.997 3.684 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462617138 985560066 /nfs/dbraw/zinc/56/00/66/985560066.db2.gz NPKWJLWETPIIJJ-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP CN(C(=O)CCc1cncc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462617138 985560076 /nfs/dbraw/zinc/56/00/76/985560076.db2.gz NPKWJLWETPIIJJ-LOSJGSFVSA-N 2 2 422.617 3.963 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443562953 985736813 /nfs/dbraw/zinc/73/68/13/985736813.db2.gz GMTFMCRRSXLFIT-UHFFFAOYSA-N 2 2 421.010 3.533 20 0 HHADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443562953 985736822 /nfs/dbraw/zinc/73/68/22/985736822.db2.gz GMTFMCRRSXLFIT-UHFFFAOYSA-N 2 2 421.010 3.533 20 0 HHADLP Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462843608 985767771 /nfs/dbraw/zinc/76/77/71/985767771.db2.gz GJSCQLKGVGOVBF-INIZCTEOSA-N 2 2 409.452 3.990 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(OC)CCC(c3ccccc3)CC2)CC1 ZINC000462898821 985827276 /nfs/dbraw/zinc/82/72/76/985827276.db2.gz YQFOUQVVCMPHJO-UHFFFAOYSA-N 2 2 402.579 3.737 20 0 HHADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468156887 985831447 /nfs/dbraw/zinc/83/14/47/985831447.db2.gz ZXNHSDRJPCORNF-OAQYLSRUSA-N 2 2 408.537 3.520 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463079477 986036623 /nfs/dbraw/zinc/03/66/23/986036623.db2.gz CCVJTNUFUGDIMF-NVQXNPDNSA-N 3 2 406.618 3.577 20 0 HHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463079477 986036636 /nfs/dbraw/zinc/03/66/36/986036636.db2.gz CCVJTNUFUGDIMF-NVQXNPDNSA-N 3 2 406.618 3.577 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468413350 986112539 /nfs/dbraw/zinc/11/25/39/986112539.db2.gz UVAWXXQEQMENQB-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468413350 986112542 /nfs/dbraw/zinc/11/25/42/986112542.db2.gz UVAWXXQEQMENQB-LEWJYISDSA-N 2 2 409.977 3.817 20 0 HHADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCN1CCCc1ccccc1 ZINC000463191171 986162323 /nfs/dbraw/zinc/16/23/23/986162323.db2.gz MGVPUQGRLANOQA-VWLOTQADSA-N 2 2 423.576 3.656 20 0 HHADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCN1CCCc1ccccc1 ZINC000463191170 986162448 /nfs/dbraw/zinc/16/24/48/986162448.db2.gz MGVPUQGRLANOQA-RUZDIDTESA-N 2 2 423.576 3.656 20 0 HHADLP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000443982563 986186619 /nfs/dbraw/zinc/18/66/19/986186619.db2.gz GPXWMKYPOAJZPG-GFCCVEGCSA-N 2 2 402.461 3.904 20 0 HHADLP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000463252477 986220775 /nfs/dbraw/zinc/22/07/75/986220775.db2.gz NPNIRAWWQLTXHW-DEOSSOPVSA-N 2 2 409.549 3.532 20 0 HHADLP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000463254751 986223354 /nfs/dbraw/zinc/22/33/54/986223354.db2.gz KHNGILPBPPIULZ-UIOOFZCWSA-N 2 2 407.602 3.745 20 0 HHADLP CC[N@@H+]1CCO[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000463254751 986223368 /nfs/dbraw/zinc/22/33/68/986223368.db2.gz KHNGILPBPPIULZ-UIOOFZCWSA-N 2 2 407.602 3.745 20 0 HHADLP CC[N@H+]1CCO[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000463254751 986223379 /nfs/dbraw/zinc/22/33/79/986223379.db2.gz KHNGILPBPPIULZ-UIOOFZCWSA-N 2 2 407.602 3.745 20 0 HHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000463316492 986284349 /nfs/dbraw/zinc/28/43/49/986284349.db2.gz TUHVSYBGOHHRBJ-SFHVURJKSA-N 2 2 404.624 3.933 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208587 986389514 /nfs/dbraw/zinc/38/95/14/986389514.db2.gz YFEZDIGSWFZMRG-KNQAVFIVSA-N 2 2 409.578 3.884 20 0 HHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000444208587 986389522 /nfs/dbraw/zinc/38/95/22/986389522.db2.gz YFEZDIGSWFZMRG-KNQAVFIVSA-N 2 2 409.578 3.884 20 0 HHADLP Cc1cc(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)n1Cc1ccco1 ZINC000444266264 986461997 /nfs/dbraw/zinc/46/19/97/986461997.db2.gz CNAWCBCWRUWTCK-UHFFFAOYSA-N 2 2 413.562 3.506 20 0 HHADLP CC(C)(C)OC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000468795778 986505193 /nfs/dbraw/zinc/50/51/93/986505193.db2.gz CMEYXJVDZNDXGW-UHFFFAOYSA-N 2 2 423.601 3.764 20 0 HHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000468915250 986622696 /nfs/dbraw/zinc/62/26/96/986622696.db2.gz LIYDXZQMKOMGLV-UHFFFAOYSA-N 2 2 412.578 3.821 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000444591992 986778879 /nfs/dbraw/zinc/77/88/79/986778879.db2.gz FLMJUNHDNOKYCT-GOSISDBHSA-N 2 2 423.586 3.873 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000444794986 986950002 /nfs/dbraw/zinc/95/00/02/986950002.db2.gz UEUYMXVGYGBBGJ-CYBMUJFWSA-N 2 2 402.296 3.612 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000444794986 986950019 /nfs/dbraw/zinc/95/00/19/986950019.db2.gz UEUYMXVGYGBBGJ-CYBMUJFWSA-N 2 2 402.296 3.612 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802038 986957261 /nfs/dbraw/zinc/95/72/61/986957261.db2.gz LTVCCTPZCYARDA-IRLDBZIGSA-N 2 2 410.562 3.752 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000444802038 986957273 /nfs/dbraw/zinc/95/72/73/986957273.db2.gz LTVCCTPZCYARDA-IRLDBZIGSA-N 2 2 410.562 3.752 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000444807743 986963621 /nfs/dbraw/zinc/96/36/21/986963621.db2.gz XIOMJJGVNVUUFG-JOCHJYFZSA-N 2 2 402.542 3.848 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)C(c1ccccc1)c1ccccc1 ZINC000444807743 986963628 /nfs/dbraw/zinc/96/36/28/986963628.db2.gz XIOMJJGVNVUUFG-JOCHJYFZSA-N 2 2 402.542 3.848 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000469290994 987007246 /nfs/dbraw/zinc/00/72/46/987007246.db2.gz YXSJQSOYCIPYHL-MISYRCLQSA-N 2 2 404.601 3.542 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000469290994 987007256 /nfs/dbraw/zinc/00/72/56/987007256.db2.gz YXSJQSOYCIPYHL-MISYRCLQSA-N 2 2 404.601 3.542 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)CC1 ZINC000444860316 987017087 /nfs/dbraw/zinc/01/70/87/987017087.db2.gz NHZDFIABCAYMTC-UHFFFAOYSA-N 2 2 415.969 3.811 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CC1 ZINC000444862653 987018584 /nfs/dbraw/zinc/01/85/84/987018584.db2.gz DEUBTPILYZORPN-UHFFFAOYSA-N 2 2 409.534 3.554 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000469402375 987097345 /nfs/dbraw/zinc/09/73/45/987097345.db2.gz RXVISLUHSWGFOV-UHFFFAOYSA-N 2 2 424.992 3.615 20 0 HHADLP CC(C)Cn1ccc2c1cccc2C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469487623 987167799 /nfs/dbraw/zinc/16/77/99/987167799.db2.gz JDRANPITQQRLOS-UHFFFAOYSA-N 2 2 410.606 3.977 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000469507955 987185198 /nfs/dbraw/zinc/18/51/98/987185198.db2.gz FFXVRCXGIXYSQS-FQEVSTJZSA-N 2 2 418.541 3.811 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000469787146 987432323 /nfs/dbraw/zinc/43/23/23/987432323.db2.gz RWBKRZCCNGTVDN-DNVCBOLYSA-N 2 2 405.420 3.982 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@H](C)C1 ZINC000469792362 987436823 /nfs/dbraw/zinc/43/68/23/987436823.db2.gz XFCQAGPIPOEKGH-NFBKMPQASA-N 2 2 411.590 3.919 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(CC)c2cccc3ccccc32)[C@H](C)C1 ZINC000469792362 987436830 /nfs/dbraw/zinc/43/68/30/987436830.db2.gz XFCQAGPIPOEKGH-NFBKMPQASA-N 2 2 411.590 3.919 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)[C@H](C)C1 ZINC000469794573 987438330 /nfs/dbraw/zinc/43/83/30/987438330.db2.gz SMYAHZVYULNAPV-AQNXPRMDSA-N 2 2 419.635 3.631 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)[C@H](C)C1 ZINC000469794573 987438335 /nfs/dbraw/zinc/43/83/35/987438335.db2.gz SMYAHZVYULNAPV-AQNXPRMDSA-N 2 2 419.635 3.631 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469866698 987503286 /nfs/dbraw/zinc/50/32/86/987503286.db2.gz RBCMNKCDJZHZFO-QTEQDKRBSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469866698 987503291 /nfs/dbraw/zinc/50/32/91/987503291.db2.gz RBCMNKCDJZHZFO-QTEQDKRBSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+](CC)CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469982326 987598825 /nfs/dbraw/zinc/59/88/25/987598825.db2.gz CUBJNWHTNOZYGF-SFHVURJKSA-N 2 2 416.006 3.635 20 0 HHADLP CC[NH+](CC)CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469982326 987598830 /nfs/dbraw/zinc/59/88/30/987598830.db2.gz CUBJNWHTNOZYGF-SFHVURJKSA-N 2 2 416.006 3.635 20 0 HHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CCCOc3ccccc3C(N)=O)c(C)c2)CC1 ZINC000469982577 987599720 /nfs/dbraw/zinc/59/97/20/987599720.db2.gz OJCZUAMDVDGWFM-FQEVSTJZSA-N 2 2 424.589 3.895 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464319849 988452166 /nfs/dbraw/zinc/45/21/66/988452166.db2.gz QZTLSVDDMAMRPO-SJORKVTESA-N 2 2 401.473 3.708 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464319849 988452170 /nfs/dbraw/zinc/45/21/70/988452170.db2.gz QZTLSVDDMAMRPO-SJORKVTESA-N 2 2 401.473 3.708 20 0 HHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643537 988657570 /nfs/dbraw/zinc/65/75/70/988657570.db2.gz HETDYJYGUMBLTF-GEEKYZPCSA-N 2 2 422.520 3.587 20 0 HHADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(F)cc1F ZINC000470643537 988657576 /nfs/dbraw/zinc/65/75/76/988657576.db2.gz HETDYJYGUMBLTF-GEEKYZPCSA-N 2 2 422.520 3.587 20 0 HHADLP C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000464518787 988694857 /nfs/dbraw/zinc/69/48/57/988694857.db2.gz ODRGWAJEFQYPAF-SFHVURJKSA-N 2 2 406.555 3.912 20 0 HHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000464603859 988785250 /nfs/dbraw/zinc/78/52/50/988785250.db2.gz WDBSTYPOLOQJAK-AZUAARDMSA-N 2 2 411.594 3.503 20 0 HHADLP O=C(C[N@@H+]1CC[C@H](CSc2ccccc2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000464762551 988984742 /nfs/dbraw/zinc/98/47/42/988984742.db2.gz LDASLQFPPBASQB-IBGZPJMESA-N 2 2 415.628 3.507 20 0 HHADLP O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000464762551 988984745 /nfs/dbraw/zinc/98/47/45/988984745.db2.gz LDASLQFPPBASQB-IBGZPJMESA-N 2 2 415.628 3.507 20 0 HHADLP CC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805251 989035532 /nfs/dbraw/zinc/03/55/32/989035532.db2.gz LWXCARLYMCWOSX-FQEVSTJZSA-N 2 2 406.574 3.988 20 0 HHADLP CC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805251 989035541 /nfs/dbraw/zinc/03/55/41/989035541.db2.gz LWXCARLYMCWOSX-FQEVSTJZSA-N 2 2 406.574 3.988 20 0 HHADLP CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808101 989041179 /nfs/dbraw/zinc/04/11/79/989041179.db2.gz WBUGPXRXBPMUHL-UHFFFAOYSA-N 2 2 412.582 3.519 20 0 HHADLP CC[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808101 989041189 /nfs/dbraw/zinc/04/11/89/989041189.db2.gz WBUGPXRXBPMUHL-UHFFFAOYSA-N 2 2 412.582 3.519 20 0 HHADLP CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810989 989046100 /nfs/dbraw/zinc/04/61/00/989046100.db2.gz QGNATUQVJZQENV-UHFFFAOYSA-N 2 2 408.546 3.851 20 0 HHADLP CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810989 989046114 /nfs/dbraw/zinc/04/61/14/989046114.db2.gz QGNATUQVJZQENV-UHFFFAOYSA-N 2 2 408.546 3.851 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843569 989091664 /nfs/dbraw/zinc/09/16/64/989091664.db2.gz WDDKKPZTYAIEIK-QLVFDKQSSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843569 989091676 /nfs/dbraw/zinc/09/16/76/989091676.db2.gz WDDKKPZTYAIEIK-QLVFDKQSSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843569 989091684 /nfs/dbraw/zinc/09/16/84/989091684.db2.gz WDDKKPZTYAIEIK-QLVFDKQSSA-N 2 2 409.618 3.914 20 0 HHADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843569 989091692 /nfs/dbraw/zinc/09/16/92/989091692.db2.gz WDDKKPZTYAIEIK-QLVFDKQSSA-N 2 2 409.618 3.914 20 0 HHADLP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174914 989302797 /nfs/dbraw/zinc/30/27/97/989302797.db2.gz AYVVGWGOKQKVPK-UHFFFAOYSA-N 2 2 420.601 3.847 20 0 HHADLP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471174914 989302807 /nfs/dbraw/zinc/30/28/07/989302807.db2.gz AYVVGWGOKQKVPK-UHFFFAOYSA-N 2 2 420.601 3.847 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186655 989320803 /nfs/dbraw/zinc/32/08/03/989320803.db2.gz OBIBIYZOPVYDRH-NZQKXSOJSA-N 2 2 406.505 3.976 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000471186655 989320819 /nfs/dbraw/zinc/32/08/19/989320819.db2.gz OBIBIYZOPVYDRH-NZQKXSOJSA-N 2 2 406.505 3.976 20 0 HHADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000471584394 989788098 /nfs/dbraw/zinc/78/80/98/989788098.db2.gz GBHIRBVDVYFDEW-IFMALSPDSA-N 2 2 421.589 3.566 20 0 HHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465511431 989861811 /nfs/dbraw/zinc/86/18/11/989861811.db2.gz DWKHMGHIMFCEOX-DEOSSOPVSA-N 2 2 417.557 3.595 20 0 HHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465511431 989861825 /nfs/dbraw/zinc/86/18/25/989861825.db2.gz DWKHMGHIMFCEOX-DEOSSOPVSA-N 2 2 417.557 3.595 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465513585 989864305 /nfs/dbraw/zinc/86/43/05/989864305.db2.gz IMALHQQRMKMUSB-OAQYLSRUSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000465513585 989864321 /nfs/dbraw/zinc/86/43/21/989864321.db2.gz IMALHQQRMKMUSB-OAQYLSRUSA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465564086 989930370 /nfs/dbraw/zinc/93/03/70/989930370.db2.gz DLVSEFMYTKDAKN-OAQYLSRUSA-N 2 2 421.589 3.878 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000465564086 989930375 /nfs/dbraw/zinc/93/03/75/989930375.db2.gz DLVSEFMYTKDAKN-OAQYLSRUSA-N 2 2 421.589 3.878 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000465707289 990093517 /nfs/dbraw/zinc/09/35/17/990093517.db2.gz HIBMIIWHAAPLSF-GBXCKJPGSA-N 2 2 415.626 3.840 20 0 HHADLP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465767604 990152158 /nfs/dbraw/zinc/15/21/58/990152158.db2.gz CKIRIJYFLPZYKO-NRFANRHFSA-N 2 2 414.638 3.992 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)c3c(F)cccc3Cl)CC2)CC1 ZINC000465801826 990184124 /nfs/dbraw/zinc/18/41/24/990184124.db2.gz BBWUWSPCWGVIHK-UHFFFAOYSA-N 2 2 424.992 3.615 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804563 990186348 /nfs/dbraw/zinc/18/63/48/990186348.db2.gz DDUZNKKJNZMZIF-BJKOFHAPSA-N 2 2 412.622 3.831 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000465819026 990202213 /nfs/dbraw/zinc/20/22/13/990202213.db2.gz VSCRHAPNIIFGQG-UHFFFAOYSA-N 2 2 423.605 3.981 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000465819026 990202218 /nfs/dbraw/zinc/20/22/18/990202218.db2.gz VSCRHAPNIIFGQG-UHFFFAOYSA-N 2 2 423.605 3.981 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccoc3)C3CCCCC3)CC2)CC1 ZINC000465826577 990210066 /nfs/dbraw/zinc/21/00/66/990210066.db2.gz PJFHAHDWKYHPDR-UHFFFAOYSA-N 2 2 402.583 3.683 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000465890136 991014921 /nfs/dbraw/zinc/01/49/21/991014921.db2.gz HATGGEYHKHVSEH-XXBNENTESA-N 2 2 417.557 3.880 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000465890136 991014928 /nfs/dbraw/zinc/01/49/28/991014928.db2.gz HATGGEYHKHVSEH-XXBNENTESA-N 2 2 417.557 3.880 20 0 HHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000466020518 991187800 /nfs/dbraw/zinc/18/78/00/991187800.db2.gz ZKGOLIZQAFEBMG-UHFFFAOYSA-N 2 2 407.518 3.724 20 0 HHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000466020518 991187803 /nfs/dbraw/zinc/18/78/03/991187803.db2.gz ZKGOLIZQAFEBMG-UHFFFAOYSA-N 2 2 407.518 3.724 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466026750 991196036 /nfs/dbraw/zinc/19/60/36/991196036.db2.gz RJAAEJCUBFWMRQ-HSZRJFAPSA-N 2 2 417.557 3.926 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466026750 991196043 /nfs/dbraw/zinc/19/60/43/991196043.db2.gz RJAAEJCUBFWMRQ-HSZRJFAPSA-N 2 2 417.557 3.926 20 0 HHADLP C[C@@H]1C[C@@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136301 991316662 /nfs/dbraw/zinc/31/66/62/991316662.db2.gz XWDWZXQMOQXFBD-TYCQWZJGSA-N 2 2 407.002 3.705 20 0 HHADLP C[C@@H]1C[C@@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466136301 991316671 /nfs/dbraw/zinc/31/66/71/991316671.db2.gz XWDWZXQMOQXFBD-TYCQWZJGSA-N 2 2 407.002 3.705 20 0 HHADLP CCCCOc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466138232 991320096 /nfs/dbraw/zinc/32/00/96/991320096.db2.gz JJSJIHOAOJNWFH-UHFFFAOYSA-N 2 2 402.583 3.937 20 0 HHADLP C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466138179 991320208 /nfs/dbraw/zinc/32/02/08/991320208.db2.gz IQJUKUMUEBPYST-KRWDZBQOSA-N 2 2 408.537 3.618 20 0 HHADLP CC(C)[C@H](c1ccccc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143341 991326389 /nfs/dbraw/zinc/32/63/89/991326389.db2.gz IPXQTIVWYPXKOF-JOCHJYFZSA-N 2 2 400.611 3.975 20 0 HHADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H](c2ccco2)C1 ZINC000466153817 991339377 /nfs/dbraw/zinc/33/93/77/991339377.db2.gz LTRVZFSGFNSWFY-WOJBJXKFSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466154699 991340902 /nfs/dbraw/zinc/34/09/02/991340902.db2.gz QPVFXQVXJGMYSW-KNQAVFIVSA-N 2 2 416.585 3.869 20 0 HHADLP CC(C)CN(Cc1ccccc1F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466156603 991344415 /nfs/dbraw/zinc/34/44/15/991344415.db2.gz DTBYSKYKQKCQFQ-UHFFFAOYSA-N 2 2 418.601 3.944 20 0 HHADLP CCC(CC)(CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000466157011 991344520 /nfs/dbraw/zinc/34/45/20/991344520.db2.gz IZAPKSFKTHXLLG-UHFFFAOYSA-N 2 2 414.638 3.994 20 0 HHADLP CC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466739288 992048113 /nfs/dbraw/zinc/04/81/13/992048113.db2.gz JKTXTDXHADWIQP-SFHVURJKSA-N 2 2 401.555 3.937 20 0 HHADLP CC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466739288 992048129 /nfs/dbraw/zinc/04/81/29/992048129.db2.gz JKTXTDXHADWIQP-SFHVURJKSA-N 2 2 401.555 3.937 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000467084947 992391183 /nfs/dbraw/zinc/39/11/83/992391183.db2.gz LTVZFGRMAJSJHA-XMMPIXPASA-N 2 2 419.573 3.845 20 0 HHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000467138428 992454773 /nfs/dbraw/zinc/45/47/73/992454773.db2.gz PCYVONKNVCNGRZ-UHFFFAOYSA-N 2 2 402.498 3.849 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404815 992711788 /nfs/dbraw/zinc/71/17/88/992711788.db2.gz DASXQBRFJICYNQ-PGRDOPGGSA-N 2 2 414.981 3.572 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467404815 992711795 /nfs/dbraw/zinc/71/17/95/992711795.db2.gz DASXQBRFJICYNQ-PGRDOPGGSA-N 2 2 414.981 3.572 20 0 HHADLP CN1CCO[C@@H]([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000467748969 992995919 /nfs/dbraw/zinc/99/59/19/992995919.db2.gz KTOSGTKGSXHHFF-VWNXMTODSA-N 2 2 424.976 3.789 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472302336 993315152 /nfs/dbraw/zinc/31/51/52/993315152.db2.gz WRKYSVZBUYXYMD-TZIWHRDSSA-N 2 2 412.603 3.658 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472302336 993315158 /nfs/dbraw/zinc/31/51/58/993315158.db2.gz WRKYSVZBUYXYMD-TZIWHRDSSA-N 2 2 412.603 3.658 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@@H+]2C2CC2)c1 ZINC000472317110 993328402 /nfs/dbraw/zinc/32/84/02/993328402.db2.gz VWTMYWCLQONERR-UNMCSNQZSA-N 2 2 405.502 3.751 20 0 HHADLP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc4[nH+]c(C)cn4c3)CC[N@H+]2C2CC2)c1 ZINC000472317110 993328407 /nfs/dbraw/zinc/32/84/07/993328407.db2.gz VWTMYWCLQONERR-UNMCSNQZSA-N 2 2 405.502 3.751 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000472320365 993331351 /nfs/dbraw/zinc/33/13/51/993331351.db2.gz ADJJQRXTQXTXOF-RBBKRZOGSA-N 2 2 405.502 3.529 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000472320365 993331357 /nfs/dbraw/zinc/33/13/57/993331357.db2.gz ADJJQRXTQXTXOF-RBBKRZOGSA-N 2 2 405.502 3.529 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327658 993336767 /nfs/dbraw/zinc/33/67/67/993336767.db2.gz OLXFHZOHIWAAAD-YFXJRYMSSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1)[NH+]1CCOCC1 ZINC000472327658 993336771 /nfs/dbraw/zinc/33/67/71/993336771.db2.gz OLXFHZOHIWAAAD-YFXJRYMSSA-N 2 2 408.546 3.647 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744843 993611714 /nfs/dbraw/zinc/61/17/14/993611714.db2.gz MCCYJTCUCDAKEQ-LPHOPBHVSA-N 2 2 407.484 3.798 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000480744843 993611717 /nfs/dbraw/zinc/61/17/17/993611717.db2.gz MCCYJTCUCDAKEQ-LPHOPBHVSA-N 2 2 407.484 3.798 20 0 HHADLP O=C(CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000480767229 993631494 /nfs/dbraw/zinc/63/14/94/993631494.db2.gz WMQAAYWVKUZAAY-RUZDIDTESA-N 2 2 418.516 3.639 20 0 HHADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000480861144 993734029 /nfs/dbraw/zinc/73/40/29/993734029.db2.gz CTVCHMFIBGWPMF-UHFFFAOYSA-N 2 2 423.399 3.896 20 0 HHADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000480861144 993734036 /nfs/dbraw/zinc/73/40/36/993734036.db2.gz CTVCHMFIBGWPMF-UHFFFAOYSA-N 2 2 423.399 3.896 20 0 HHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(F)cc1Cl ZINC000480907183 993763391 /nfs/dbraw/zinc/76/33/91/993763391.db2.gz IJRVSAFVLVWLNV-MRXNPFEDSA-N 2 2 419.928 3.991 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000481022849 993865779 /nfs/dbraw/zinc/86/57/79/993865779.db2.gz IIFKECPTRKUEFI-WIYYLYMNSA-N 2 2 407.624 3.506 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000481022845 993866179 /nfs/dbraw/zinc/86/61/79/993866179.db2.gz IIFKECPTRKUEFI-RXVVDRJESA-N 2 2 407.624 3.506 20 0 HHADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000481028248 993872504 /nfs/dbraw/zinc/87/25/04/993872504.db2.gz YFGHQGNBNFCNQF-XMSQKQJNSA-N 2 2 407.624 3.506 20 0 HHADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000481185608 994017197 /nfs/dbraw/zinc/01/71/97/994017197.db2.gz DFHKIWIAQHHKSD-GOSISDBHSA-N 2 2 401.576 3.584 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189287 994021422 /nfs/dbraw/zinc/02/14/22/994021422.db2.gz MAXVRWZFSWIUGJ-UZLBHIALSA-N 2 2 403.473 3.727 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC(F)F)c1 ZINC000481196438 994030080 /nfs/dbraw/zinc/03/00/80/994030080.db2.gz ZCUDLGRCEWZCQJ-KRWDZBQOSA-N 2 2 406.473 3.850 20 0 HHADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000481207277 994040467 /nfs/dbraw/zinc/04/04/67/994040467.db2.gz JJQVOFNHSQCJSP-CQSZACIVSA-N 2 2 407.331 3.586 20 0 HHADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC000481257396 994080083 /nfs/dbraw/zinc/08/00/83/994080083.db2.gz OLNZHJPPCUHKNW-LJQANCHMSA-N 2 2 403.368 3.837 20 0 HHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000481303009 994118958 /nfs/dbraw/zinc/11/89/58/994118958.db2.gz AWZMAXIPUFRTRQ-OAQYLSRUSA-N 2 2 408.590 3.894 20 0 HHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321912 994141394 /nfs/dbraw/zinc/14/13/94/994141394.db2.gz YOQXJXQYJVHTLQ-LGGPFLRQSA-N 2 2 413.631 3.673 20 0 HHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481421846 994255827 /nfs/dbraw/zinc/25/58/27/994255827.db2.gz RGSQNDNQXPVHGC-QGZVFWFLSA-N 2 2 404.938 3.910 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556761 994390577 /nfs/dbraw/zinc/39/05/77/994390577.db2.gz KCOZJSPKGXPZOK-OALUTQOASA-N 2 2 405.546 3.647 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nnn1-c1ccccc1 ZINC000481556761 994390579 /nfs/dbraw/zinc/39/05/79/994390579.db2.gz KCOZJSPKGXPZOK-OALUTQOASA-N 2 2 405.546 3.647 20 0 HHADLP CC1(C)CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c2ccccc21 ZINC000481677677 994536876 /nfs/dbraw/zinc/53/68/76/994536876.db2.gz LLMYZXGPTPURCP-UGKGYDQZSA-N 2 2 421.589 3.684 20 0 HHADLP CC[C@@H](C[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000481733208 994591421 /nfs/dbraw/zinc/59/14/21/994591421.db2.gz HZUZLESWAQKHFR-QFIPXVFZSA-N 2 2 409.574 3.973 20 0 HHADLP CC[C@@H](C[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000481733208 994591435 /nfs/dbraw/zinc/59/14/35/994591435.db2.gz HZUZLESWAQKHFR-QFIPXVFZSA-N 2 2 409.574 3.973 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000481932945 994804113 /nfs/dbraw/zinc/80/41/13/994804113.db2.gz FAHRPOMLKSWTHI-QMMLZNLJSA-N 2 2 414.981 3.823 20 0 HHADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000481932945 994804121 /nfs/dbraw/zinc/80/41/21/994804121.db2.gz FAHRPOMLKSWTHI-QMMLZNLJSA-N 2 2 414.981 3.823 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000481996671 994897647 /nfs/dbraw/zinc/89/76/47/994897647.db2.gz DWSCPKSMMFRDLG-UHFFFAOYSA-N 2 2 411.546 3.577 20 0 HHADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482014987 994924243 /nfs/dbraw/zinc/92/42/43/994924243.db2.gz KSAUDKUQCNGQPM-RLFYNMQTSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482014987 994924254 /nfs/dbraw/zinc/92/42/54/994924254.db2.gz KSAUDKUQCNGQPM-RLFYNMQTSA-N 2 2 416.393 3.682 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023479 994937480 /nfs/dbraw/zinc/93/74/80/994937480.db2.gz AGWFFDOBEULSJY-OLMNPRSZSA-N 2 2 408.384 3.530 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2cccc(Br)c21 ZINC000482023479 994937498 /nfs/dbraw/zinc/93/74/98/994937498.db2.gz AGWFFDOBEULSJY-OLMNPRSZSA-N 2 2 408.384 3.530 20 0 HHADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)o1 ZINC000482112465 995060398 /nfs/dbraw/zinc/06/03/98/995060398.db2.gz FCMNFPALAOKRRF-LJQANCHMSA-N 2 2 404.514 3.731 20 0 HHADLP O=C(CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482128788 995077865 /nfs/dbraw/zinc/07/78/65/995077865.db2.gz AQPZQDOXDMSBRH-GOSISDBHSA-N 2 2 416.978 3.600 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130323 995079583 /nfs/dbraw/zinc/07/95/83/995079583.db2.gz DHSZKYKQYOCCGA-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000482130323 995079595 /nfs/dbraw/zinc/07/95/95/995079595.db2.gz DHSZKYKQYOCCGA-CYFREDJKSA-N 2 2 415.541 3.729 20 0 HHADLP COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000482131860 995082344 /nfs/dbraw/zinc/08/23/44/995082344.db2.gz XJSHYTXKUNVEQO-LJQANCHMSA-N 2 2 418.541 3.633 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000482143222 995092910 /nfs/dbraw/zinc/09/29/10/995092910.db2.gz OKAWBWRBIZWDKJ-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000482143222 995092930 /nfs/dbraw/zinc/09/29/30/995092930.db2.gz OKAWBWRBIZWDKJ-PBHICJAKSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000482143228 995093003 /nfs/dbraw/zinc/09/30/03/995093003.db2.gz OKAWBWRBIZWDKJ-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000482143228 995093009 /nfs/dbraw/zinc/09/30/09/995093009.db2.gz OKAWBWRBIZWDKJ-YOEHRIQHSA-N 2 2 402.366 3.659 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000482233679 995216599 /nfs/dbraw/zinc/21/65/99/995216599.db2.gz HJVWARUNUJPOQC-MRXNPFEDSA-N 2 2 402.922 3.637 20 0 HHADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000482233679 995216605 /nfs/dbraw/zinc/21/66/05/995216605.db2.gz HJVWARUNUJPOQC-MRXNPFEDSA-N 2 2 402.922 3.637 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)CCC2 ZINC000474355895 995336055 /nfs/dbraw/zinc/33/60/55/995336055.db2.gz QWDNLUBNGLRIEH-LLVKDONJSA-N 2 2 414.145 3.779 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC000474412390 995378457 /nfs/dbraw/zinc/37/84/57/995378457.db2.gz IGYGRUXRLOPDKT-NRFANRHFSA-N 2 2 400.473 3.822 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000474526710 995492132 /nfs/dbraw/zinc/49/21/32/995492132.db2.gz ZXJBMFQMANTMHZ-WOJBJXKFSA-N 2 2 409.578 3.730 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474539826 995507109 /nfs/dbraw/zinc/50/71/09/995507109.db2.gz GMBFAUNKISWBGX-MPIRFRCKSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474539826 995507117 /nfs/dbraw/zinc/50/71/17/995507117.db2.gz GMBFAUNKISWBGX-MPIRFRCKSA-N 2 2 408.949 3.540 20 0 HHADLP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000474551214 995516718 /nfs/dbraw/zinc/51/67/18/995516718.db2.gz CMRDYZSYYSEYML-IBGZPJMESA-N 2 2 400.611 3.740 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000483042861 995937264 /nfs/dbraw/zinc/93/72/64/995937264.db2.gz LLPYAFAGLPZIOT-PMACEKPBSA-N 2 2 414.594 3.778 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000483118801 995986656 /nfs/dbraw/zinc/98/66/56/995986656.db2.gz LARHHFBKTFTEHY-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000483118801 995986662 /nfs/dbraw/zinc/98/66/62/995986662.db2.gz LARHHFBKTFTEHY-XMSQKQJNSA-N 2 2 401.576 3.763 20 0 HHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000483135763 995996247 /nfs/dbraw/zinc/99/62/47/995996247.db2.gz PUVNXPCJXIGZFS-ZWKOTPCHSA-N 2 2 416.587 3.975 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CC(F)(c4cccc(Cl)c4)C3)CC2)CC1 ZINC000483146970 996002553 /nfs/dbraw/zinc/00/25/53/996002553.db2.gz JAIRNHJLMURLTO-UHFFFAOYSA-N 2 2 422.976 3.525 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000475395555 996112102 /nfs/dbraw/zinc/11/21/02/996112102.db2.gz XUNRFYOSGIYKFT-QGZVFWFLSA-N 2 2 400.592 3.728 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CC[NH+](Cc3cccs3)CC1)CC2 ZINC000475395555 996112107 /nfs/dbraw/zinc/11/21/07/996112107.db2.gz XUNRFYOSGIYKFT-QGZVFWFLSA-N 2 2 400.592 3.728 20 0 HHADLP O=C1c2ccccc2C(=O)N1CCC1=CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000475515442 996194133 /nfs/dbraw/zinc/19/41/33/996194133.db2.gz CFQQEMMJWLZIJL-UHFFFAOYSA-N 2 2 412.493 3.691 20 0 HHADLP O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000475515442 996194140 /nfs/dbraw/zinc/19/41/40/996194140.db2.gz CFQQEMMJWLZIJL-UHFFFAOYSA-N 2 2 412.493 3.691 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475065 996204061 /nfs/dbraw/zinc/20/40/61/996204061.db2.gz OGBRJWYQGHNHQZ-NOZRDPDXSA-N 2 2 405.586 3.741 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475065 996204066 /nfs/dbraw/zinc/20/40/66/996204066.db2.gz OGBRJWYQGHNHQZ-NOZRDPDXSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475065 996204071 /nfs/dbraw/zinc/20/40/71/996204071.db2.gz OGBRJWYQGHNHQZ-NOZRDPDXSA-N 2 2 405.586 3.741 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000483475065 996204074 /nfs/dbraw/zinc/20/40/74/996204074.db2.gz OGBRJWYQGHNHQZ-NOZRDPDXSA-N 2 2 405.586 3.741 20 0 HHADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628244 996260690 /nfs/dbraw/zinc/26/06/90/996260690.db2.gz VYKINYQBNFJDFQ-XEZPLFJOSA-N 2 2 407.274 3.718 20 0 HHADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1C(F)(F)F ZINC000475628244 996260695 /nfs/dbraw/zinc/26/06/95/996260695.db2.gz VYKINYQBNFJDFQ-XEZPLFJOSA-N 2 2 407.274 3.718 20 0 HHADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475733872 996333525 /nfs/dbraw/zinc/33/35/25/996333525.db2.gz VNIGQPMNYMOLLD-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000475733872 996333531 /nfs/dbraw/zinc/33/35/31/996333531.db2.gz VNIGQPMNYMOLLD-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475733872 996333535 /nfs/dbraw/zinc/33/35/35/996333535.db2.gz VNIGQPMNYMOLLD-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475733872 996333540 /nfs/dbraw/zinc/33/35/40/996333540.db2.gz VNIGQPMNYMOLLD-SANMLTNESA-N 2 2 421.585 3.642 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000483738182 996358615 /nfs/dbraw/zinc/35/86/15/996358615.db2.gz AOKUQUYQLAAFKG-QFIPXVFZSA-N 2 2 402.558 3.621 20 0 HHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000476063554 996575522 /nfs/dbraw/zinc/57/55/22/996575522.db2.gz VLNYREUMUGPFDK-QFIPXVFZSA-N 2 2 423.605 3.534 20 0 HHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000476063554 996575526 /nfs/dbraw/zinc/57/55/26/996575526.db2.gz VLNYREUMUGPFDK-QFIPXVFZSA-N 2 2 423.605 3.534 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000476065942 996576641 /nfs/dbraw/zinc/57/66/41/996576641.db2.gz WZMWMZWRVRXPNP-HNNXBMFYSA-N 2 2 412.484 3.965 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137407 996592165 /nfs/dbraw/zinc/59/21/65/996592165.db2.gz DJYCEWKHEULTJY-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(Br)c1 ZINC000484137407 996592169 /nfs/dbraw/zinc/59/21/69/996592169.db2.gz DJYCEWKHEULTJY-QRWLVFNGSA-N 2 2 407.327 3.876 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000476098257 996594195 /nfs/dbraw/zinc/59/41/95/996594195.db2.gz WBEFFPSEEUSYHK-UHFFFAOYSA-N 2 2 411.456 3.778 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000484159692 996607843 /nfs/dbraw/zinc/60/78/43/996607843.db2.gz LJLNMPXPGDHHGR-CDXJDZJCSA-N 2 2 418.965 3.891 20 0 HHADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000484159692 996607846 /nfs/dbraw/zinc/60/78/46/996607846.db2.gz LJLNMPXPGDHHGR-CDXJDZJCSA-N 2 2 418.965 3.891 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000484166339 996611570 /nfs/dbraw/zinc/61/15/70/996611570.db2.gz VKUIATBBTNPDPW-SFTDATJTSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166339 996611575 /nfs/dbraw/zinc/61/15/75/996611575.db2.gz VKUIATBBTNPDPW-SFTDATJTSA-N 2 2 419.338 3.802 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476217045 996683574 /nfs/dbraw/zinc/68/35/74/996683574.db2.gz KQSLSTXMXYERLQ-GOSISDBHSA-N 2 2 412.484 3.603 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476217045 996683580 /nfs/dbraw/zinc/68/35/80/996683580.db2.gz KQSLSTXMXYERLQ-GOSISDBHSA-N 2 2 412.484 3.603 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000476431220 996901293 /nfs/dbraw/zinc/90/12/93/996901293.db2.gz JAQDGDVFTMLKPD-LJQANCHMSA-N 2 2 410.965 3.619 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000476431220 996901304 /nfs/dbraw/zinc/90/13/04/996901304.db2.gz JAQDGDVFTMLKPD-LJQANCHMSA-N 2 2 410.965 3.619 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000476533743 997023499 /nfs/dbraw/zinc/02/34/99/997023499.db2.gz BWCJHCDKZJSZJW-PGRDOPGGSA-N 2 2 410.562 3.600 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000476533743 997023504 /nfs/dbraw/zinc/02/35/04/997023504.db2.gz BWCJHCDKZJSZJW-PGRDOPGGSA-N 2 2 410.562 3.600 20 0 HHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000484808423 997163143 /nfs/dbraw/zinc/16/31/43/997163143.db2.gz FCSLTNGBCACJAQ-UHFFFAOYSA-N 2 2 413.562 3.965 20 0 HHADLP CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000484894274 997261496 /nfs/dbraw/zinc/26/14/96/997261496.db2.gz YFGJXXCAXCOTND-HSZRJFAPSA-N 2 2 421.545 3.762 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000476798942 997347888 /nfs/dbraw/zinc/34/78/88/997347888.db2.gz QBOAXYXBDUIDPD-JOCHJYFZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000476798942 997347901 /nfs/dbraw/zinc/34/79/01/997347901.db2.gz QBOAXYXBDUIDPD-JOCHJYFZSA-N 2 2 412.484 3.650 20 0 HHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000484994192 997356021 /nfs/dbraw/zinc/35/60/21/997356021.db2.gz HRSHZKIMMZUNOP-SFHVURJKSA-N 2 2 407.514 3.863 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000476813693 997368741 /nfs/dbraw/zinc/36/87/41/997368741.db2.gz BBDKRLFEKGGUPA-WOJBJXKFSA-N 2 2 415.622 3.610 20 0 HHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](C)C ZINC000485199947 997576363 /nfs/dbraw/zinc/57/63/63/997576363.db2.gz UAIOXCAQDQFQAD-VGSWGCGISA-N 2 2 409.509 3.810 20 0 HHADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000477049067 997688549 /nfs/dbraw/zinc/68/85/49/997688549.db2.gz IYIJCWYUAZXKSB-HSZRJFAPSA-N 2 2 403.530 3.582 20 0 HHADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000477049067 997688561 /nfs/dbraw/zinc/68/85/61/997688561.db2.gz IYIJCWYUAZXKSB-HSZRJFAPSA-N 2 2 403.530 3.582 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000485323925 997735774 /nfs/dbraw/zinc/73/57/74/997735774.db2.gz VEDCTEZMIFUBAE-NRFANRHFSA-N 2 2 423.605 3.960 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000485323926 997735928 /nfs/dbraw/zinc/73/59/28/997735928.db2.gz VEDCTEZMIFUBAE-OAQYLSRUSA-N 2 2 423.605 3.960 20 0 HHADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000485698280 998161369 /nfs/dbraw/zinc/16/13/69/998161369.db2.gz SHZNLSGFWPDYAF-GOSISDBHSA-N 2 2 410.543 3.605 20 0 HHADLP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000485698280 998161382 /nfs/dbraw/zinc/16/13/82/998161382.db2.gz SHZNLSGFWPDYAF-GOSISDBHSA-N 2 2 410.543 3.605 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477511740 998232401 /nfs/dbraw/zinc/23/24/01/998232401.db2.gz WPQITDYJYYVYIH-OXJNMPFZSA-N 2 2 406.933 3.998 20 0 HHADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477511740 998232411 /nfs/dbraw/zinc/23/24/11/998232411.db2.gz WPQITDYJYYVYIH-OXJNMPFZSA-N 2 2 406.933 3.998 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785023 998256419 /nfs/dbraw/zinc/25/64/19/998256419.db2.gz KHXWLYUQAXEFAL-FCHUYYIVSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785023 998256430 /nfs/dbraw/zinc/25/64/30/998256430.db2.gz KHXWLYUQAXEFAL-FCHUYYIVSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785026 998256855 /nfs/dbraw/zinc/25/68/55/998256855.db2.gz KHXWLYUQAXEFAL-YADHBBJMSA-N 2 2 401.501 3.982 20 0 HHADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000485785026 998256872 /nfs/dbraw/zinc/25/68/72/998256872.db2.gz KHXWLYUQAXEFAL-YADHBBJMSA-N 2 2 401.501 3.982 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000486012996 998457732 /nfs/dbraw/zinc/45/77/32/998457732.db2.gz CLYTZJUKQBACFD-AVRDEDQJSA-N 2 2 404.514 3.936 20 0 HHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000486012996 998457736 /nfs/dbraw/zinc/45/77/36/998457736.db2.gz CLYTZJUKQBACFD-AVRDEDQJSA-N 2 2 404.514 3.936 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)sc2C1 ZINC000486119700 998567620 /nfs/dbraw/zinc/56/76/20/998567620.db2.gz WRTJFCZOSNWVSD-UHFFFAOYSA-N 2 2 418.473 3.680 20 0 HHADLP C[NH+](C)Cc1ccccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000486184188 998627990 /nfs/dbraw/zinc/62/79/90/998627990.db2.gz HZRWJXYHSLXYFE-UHFFFAOYSA-N 2 2 402.502 3.637 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478417247 998946806 /nfs/dbraw/zinc/94/68/06/998946806.db2.gz MLXSYALBFZNMJG-OALUTQOASA-N 2 2 410.965 3.646 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478417247 998946811 /nfs/dbraw/zinc/94/68/11/998946811.db2.gz MLXSYALBFZNMJG-OALUTQOASA-N 2 2 410.965 3.646 20 0 HHADLP C[NH+](C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1cccc(Cl)c1 ZINC000478621411 999050409 /nfs/dbraw/zinc/05/04/09/999050409.db2.gz LSNNDVYPBAUGLK-OAQYLSRUSA-N 2 2 415.969 3.507 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057311 999272216 /nfs/dbraw/zinc/27/22/16/999272216.db2.gz HWDDLTIRWZVVJS-GPUOULLFSA-N 2 2 416.569 3.722 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479057311 999272221 /nfs/dbraw/zinc/27/22/21/999272221.db2.gz HWDDLTIRWZVVJS-GPUOULLFSA-N 2 2 416.569 3.722 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974310 999333023 /nfs/dbraw/zinc/33/30/23/999333023.db2.gz BEFFETBBMNUPAI-ZVDOUQERSA-N 2 2 420.504 3.685 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccco1 ZINC000487974310 999333030 /nfs/dbraw/zinc/33/30/30/999333030.db2.gz BEFFETBBMNUPAI-ZVDOUQERSA-N 2 2 420.504 3.685 20 0 HHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000479515673 999455046 /nfs/dbraw/zinc/45/50/46/999455046.db2.gz YMRLNRSMETYIHY-KMFTYDHNSA-N 2 2 405.608 3.529 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(-c4ccccc4)cc3F)CC2)CC1 ZINC000488522036 999516645 /nfs/dbraw/zinc/51/66/45/999516645.db2.gz YVICMSKMLAREHQ-UHFFFAOYSA-N 2 2 424.564 3.851 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1Cl ZINC000479903918 999642782 /nfs/dbraw/zinc/64/27/82/999642782.db2.gz RPYYWIMRTKWIDQ-KRWDZBQOSA-N 2 2 411.937 3.604 20 0 HHADLP CCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(OC(C)C)c1 ZINC000479907364 999644143 /nfs/dbraw/zinc/64/41/43/999644143.db2.gz BGDOFMBKVPVYTJ-UHFFFAOYSA-N 2 2 417.594 3.551 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147336 999711893 /nfs/dbraw/zinc/71/18/93/999711893.db2.gz KCGOLTUHLQBRGW-FCHUYYIVSA-N 2 2 400.611 3.702 20 0 HHADLP CN(C(=O)c1ccn(C)c1C1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147336 999711895 /nfs/dbraw/zinc/71/18/95/999711895.db2.gz KCGOLTUHLQBRGW-FCHUYYIVSA-N 2 2 400.611 3.702 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149155 999712311 /nfs/dbraw/zinc/71/23/11/999712311.db2.gz ROMRSNDVMXKXCA-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000489149155 999712313 /nfs/dbraw/zinc/71/23/13/999712313.db2.gz ROMRSNDVMXKXCA-WOJBJXKFSA-N 2 2 407.986 3.758 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000489285114 999737106 /nfs/dbraw/zinc/73/71/06/999737106.db2.gz BRWJEFGIXLTMPS-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000489285114 999737109 /nfs/dbraw/zinc/73/71/09/999737109.db2.gz BRWJEFGIXLTMPS-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000489300398 999740526 /nfs/dbraw/zinc/74/05/26/999740526.db2.gz YZVKYCYXDJWFJY-LEWJYISDSA-N 2 2 408.590 3.928 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000489300398 999740528 /nfs/dbraw/zinc/74/05/28/999740528.db2.gz YZVKYCYXDJWFJY-LEWJYISDSA-N 2 2 408.590 3.928 20 0 HHADLP O[C@@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000480367706 999781950 /nfs/dbraw/zinc/78/19/50/999781950.db2.gz XJTNQRIVCXQKTB-QGZVFWFLSA-N 2 2 415.784 3.891 20 0 HHADLP O[C@@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000480367706 999781952 /nfs/dbraw/zinc/78/19/52/999781952.db2.gz XJTNQRIVCXQKTB-QGZVFWFLSA-N 2 2 415.784 3.891 20 0 HHADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)cc2)CC1 ZINC000480613977 999841621 /nfs/dbraw/zinc/84/16/21/999841621.db2.gz NPAAIHWNJTVTPD-OAQYLSRUSA-N 2 2 413.949 3.731 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836576 999846667 /nfs/dbraw/zinc/84/66/67/999846667.db2.gz RZFQUIBNBAZRMS-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000489836576 999846671 /nfs/dbraw/zinc/84/66/71/999846671.db2.gz RZFQUIBNBAZRMS-RDPSFJRHSA-N 2 2 417.557 3.641 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000490159326 999901889 /nfs/dbraw/zinc/90/18/89/999901889.db2.gz WVKJIYJQCGZWSZ-OAQYLSRUSA-N 2 2 401.501 3.587 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000490159326 999901890 /nfs/dbraw/zinc/90/18/90/999901890.db2.gz WVKJIYJQCGZWSZ-OAQYLSRUSA-N 2 2 401.501 3.587 20 0 HHADLP COc1ccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000490171422 999904129 /nfs/dbraw/zinc/90/41/29/999904129.db2.gz CWSSQEWQGRZNMI-DEOSSOPVSA-N 2 2 402.542 3.721 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998367 1000032070 /nfs/dbraw/zinc/03/20/70/1000032070.db2.gz UPZGOFWFXZFXRW-TYBLODHISA-N 2 2 420.601 3.638 20 0 HHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490998367 1000032071 /nfs/dbraw/zinc/03/20/71/1000032071.db2.gz UPZGOFWFXZFXRW-TYBLODHISA-N 2 2 420.601 3.638 20 0 HHADLP CCOc1ccc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491006719 1000033446 /nfs/dbraw/zinc/03/34/46/1000033446.db2.gz MXUREIKYXWYFQI-HSZRJFAPSA-N 2 2 415.965 3.582 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)c2ccccc2C1 ZINC000492140167 1000111166 /nfs/dbraw/zinc/11/11/66/1000111166.db2.gz GLTRVWCOKLGDCJ-JOCHJYFZSA-N 2 2 401.620 3.821 20 0 HHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401009 1000125358 /nfs/dbraw/zinc/12/53/58/1000125358.db2.gz OGIFABXUPIKGAN-IEBWSBKVSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401009 1000125360 /nfs/dbraw/zinc/12/53/60/1000125360.db2.gz OGIFABXUPIKGAN-IEBWSBKVSA-N 2 2 406.979 3.614 20 0 HHADLP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492949059 1000150765 /nfs/dbraw/zinc/15/07/65/1000150765.db2.gz FLWHXLGHFHXIFW-AWEZNQCLSA-N 2 2 412.365 3.674 20 0 HHADLP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492949059 1000150766 /nfs/dbraw/zinc/15/07/66/1000150766.db2.gz FLWHXLGHFHXIFW-AWEZNQCLSA-N 2 2 412.365 3.674 20 0 HHADLP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000493843838 1000197630 /nfs/dbraw/zinc/19/76/30/1000197630.db2.gz MGTLLUZHRFDJLR-OAQYLSRUSA-N 2 2 404.938 3.528 20 0 HHADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000494215362 1000368163 /nfs/dbraw/zinc/36/81/63/1000368163.db2.gz HTMSPYNNRNEHBD-DHIUTWEWSA-N 2 2 419.529 3.874 20 0 HHADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494401944 1000474430 /nfs/dbraw/zinc/47/44/30/1000474430.db2.gz CBVARMTYEFCACY-JOCHJYFZSA-N 2 2 413.525 3.908 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccccc1C[NH+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000505124275 1000562381 /nfs/dbraw/zinc/56/23/81/1000562381.db2.gz JJYUNSQELLCUOA-UHFFFAOYSA-N 2 2 423.557 3.685 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccccc1C[NH+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000505124275 1000562391 /nfs/dbraw/zinc/56/23/91/1000562391.db2.gz JJYUNSQELLCUOA-UHFFFAOYSA-N 2 2 423.557 3.685 20 0 HHADLP CC[NH+](CC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000505124275 1000562398 /nfs/dbraw/zinc/56/23/98/1000562398.db2.gz JJYUNSQELLCUOA-UHFFFAOYSA-N 2 2 423.557 3.685 20 0 HHADLP CC[NH+](CC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000505124275 1000562404 /nfs/dbraw/zinc/56/24/04/1000562404.db2.gz JJYUNSQELLCUOA-UHFFFAOYSA-N 2 2 423.557 3.685 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000494604669 1000571395 /nfs/dbraw/zinc/57/13/95/1000571395.db2.gz YPFNDNZCAKWBSN-AOYPEHQESA-N 2 2 414.553 3.850 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000494604669 1000571401 /nfs/dbraw/zinc/57/14/01/1000571401.db2.gz YPFNDNZCAKWBSN-AOYPEHQESA-N 2 2 414.553 3.850 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000505325621 1000702989 /nfs/dbraw/zinc/70/29/89/1000702989.db2.gz JDBMQZXCBZHFLQ-UIFIKXQLSA-N 2 2 412.965 3.761 20 0 HHADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505339983 1000712304 /nfs/dbraw/zinc/71/23/04/1000712304.db2.gz QTTIQTCFRZDKRK-YLJYHZDGSA-N 2 2 422.411 3.776 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)c1 ZINC000494919441 1000730228 /nfs/dbraw/zinc/73/02/28/1000730228.db2.gz CEZTWNNJXBRQGH-OAQYLSRUSA-N 2 2 408.590 3.560 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000494997728 1000770224 /nfs/dbraw/zinc/77/02/24/1000770224.db2.gz NYQHCMDBWFUQGO-GCJKJVERSA-N 2 2 406.555 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000494997728 1000770231 /nfs/dbraw/zinc/77/02/31/1000770231.db2.gz NYQHCMDBWFUQGO-GCJKJVERSA-N 2 2 406.555 3.825 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000505527086 1000872958 /nfs/dbraw/zinc/87/29/58/1000872958.db2.gz RMTLMDRUECDBKB-RDPSFJRHSA-N 2 2 407.558 3.565 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000505527086 1000872969 /nfs/dbraw/zinc/87/29/69/1000872969.db2.gz RMTLMDRUECDBKB-RDPSFJRHSA-N 2 2 407.558 3.565 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000505577973 1000917514 /nfs/dbraw/zinc/91/75/14/1000917514.db2.gz CRWHSZOKIQAQFH-DEOSSOPVSA-N 2 2 400.526 3.500 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000505577973 1000917520 /nfs/dbraw/zinc/91/75/20/1000917520.db2.gz CRWHSZOKIQAQFH-DEOSSOPVSA-N 2 2 400.526 3.500 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495756826 1001071106 /nfs/dbraw/zinc/07/11/06/1001071106.db2.gz BAMCXGGJMBHNHI-VQTJNVASSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccccc1SCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495756826 1001071112 /nfs/dbraw/zinc/07/11/12/1001071112.db2.gz BAMCXGGJMBHNHI-VQTJNVASSA-N 2 2 419.635 3.583 20 0 HHADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506032657 1001177973 /nfs/dbraw/zinc/17/79/73/1001177973.db2.gz RPFBMCZBGADOIC-GOSISDBHSA-N 2 2 407.986 3.800 20 0 HHADLP Clc1ccccc1-c1nnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000506041087 1001184068 /nfs/dbraw/zinc/18/40/68/1001184068.db2.gz HHENVLNPQJTJOI-UHFFFAOYSA-N 2 2 404.942 3.714 20 0 HHADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506040897 1001184224 /nfs/dbraw/zinc/18/42/24/1001184224.db2.gz GBFYSZUNTZTMHE-UHFFFAOYSA-N 2 2 401.595 3.881 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cn2c1 ZINC000497033076 1001260795 /nfs/dbraw/zinc/26/07/95/1001260795.db2.gz CIEIKZRQAQEDSZ-UHFFFAOYSA-N 2 2 414.619 3.991 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cn2c1 ZINC000497033076 1001260802 /nfs/dbraw/zinc/26/08/02/1001260802.db2.gz CIEIKZRQAQEDSZ-UHFFFAOYSA-N 2 2 414.619 3.991 20 0 HHADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507057753 1001785683 /nfs/dbraw/zinc/78/56/83/1001785683.db2.gz LJIDZHHILYSERV-QUCCMNQESA-N 2 2 411.550 3.539 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+]1CCc2ccccc2C1 ZINC000507124387 1001823000 /nfs/dbraw/zinc/82/30/00/1001823000.db2.gz ZISLVYDOYUBVLJ-SIKLNZKXSA-N 2 2 421.589 3.555 20 0 HHADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+]1CCc2ccccc2C1 ZINC000507124387 1001823008 /nfs/dbraw/zinc/82/30/08/1001823008.db2.gz ZISLVYDOYUBVLJ-SIKLNZKXSA-N 2 2 421.589 3.555 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125432 1001824180 /nfs/dbraw/zinc/82/41/80/1001824180.db2.gz HEXZJDJQGBRSQF-FGZHOGPDSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507125432 1001824190 /nfs/dbraw/zinc/82/41/90/1001824190.db2.gz HEXZJDJQGBRSQF-FGZHOGPDSA-N 2 2 421.589 3.773 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507136218 1001829013 /nfs/dbraw/zinc/82/90/13/1001829013.db2.gz QLMQUGTXMLNTBA-UHFFFAOYSA-N 2 2 402.542 3.712 20 0 HHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507136218 1001829027 /nfs/dbraw/zinc/82/90/27/1001829027.db2.gz QLMQUGTXMLNTBA-UHFFFAOYSA-N 2 2 402.542 3.712 20 0 HHADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)([NH+](C)C)C1 ZINC000507303953 1001984965 /nfs/dbraw/zinc/98/49/65/1001984965.db2.gz KGLCLOHFRGWBQX-SELNLUPBSA-N 2 2 401.599 3.619 20 0 HHADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498574852 1001988533 /nfs/dbraw/zinc/98/85/33/1001988533.db2.gz KXTFYDYDDCTXGS-QHCPKHFHSA-N 2 2 408.590 3.557 20 0 HHADLP CCc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498574852 1001988546 /nfs/dbraw/zinc/98/85/46/1001988546.db2.gz KXTFYDYDDCTXGS-QHCPKHFHSA-N 2 2 408.590 3.557 20 0 HHADLP CC(C)Sc1cc(Br)ccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000507816653 1002363530 /nfs/dbraw/zinc/36/35/30/1002363530.db2.gz TUPDPYPINKWYPE-UHFFFAOYSA-N 2 2 401.414 3.838 20 0 HHADLP CC(C)Sc1cc(Br)ccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000507816653 1002363543 /nfs/dbraw/zinc/36/35/43/1002363543.db2.gz TUPDPYPINKWYPE-UHFFFAOYSA-N 2 2 401.414 3.838 20 0 HHADLP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617786 1003071760 /nfs/dbraw/zinc/07/17/60/1003071760.db2.gz ZINOXKIVJSWDNV-KGVIQGDOSA-N 2 2 422.013 3.554 20 0 HHADLP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508617786 1003071769 /nfs/dbraw/zinc/07/17/69/1003071769.db2.gz ZINOXKIVJSWDNV-KGVIQGDOSA-N 2 2 422.013 3.554 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772890 1003110862 /nfs/dbraw/zinc/11/08/62/1003110862.db2.gz RGPAPSGUXVYNSX-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000499772890 1003110866 /nfs/dbraw/zinc/11/08/66/1003110866.db2.gz RGPAPSGUXVYNSX-NHCUHLMSSA-N 2 2 417.557 3.736 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690911 1003128760 /nfs/dbraw/zinc/12/87/60/1003128760.db2.gz LFJKHJXLRJMXJH-CEMLEFRQSA-N 2 2 400.588 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690911 1003128765 /nfs/dbraw/zinc/12/87/65/1003128765.db2.gz LFJKHJXLRJMXJH-CEMLEFRQSA-N 2 2 400.588 3.739 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cn2c1 ZINC000499923337 1003249993 /nfs/dbraw/zinc/24/99/93/1003249993.db2.gz UTBFGAWAHDYHLH-FQEVSTJZSA-N 2 2 414.619 3.846 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(C)c1 ZINC000500103818 1003465316 /nfs/dbraw/zinc/46/53/16/1003465316.db2.gz DVKWAIFGCDFQBM-GOTSBHOMSA-N 2 2 423.536 3.982 20 0 HHADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)c1 ZINC000509263540 1003663822 /nfs/dbraw/zinc/66/38/22/1003663822.db2.gz LVOXHSQVLYBUEH-NRFANRHFSA-N 2 2 416.610 3.596 20 0 HHADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509264871 1003664380 /nfs/dbraw/zinc/66/43/80/1003664380.db2.gz SUBSNMCWJLTSCX-JOCHJYFZSA-N 2 2 406.574 3.549 20 0 HHADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509264871 1003664387 /nfs/dbraw/zinc/66/43/87/1003664387.db2.gz SUBSNMCWJLTSCX-JOCHJYFZSA-N 2 2 406.574 3.549 20 0 HHADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000500393254 1003688875 /nfs/dbraw/zinc/68/88/75/1003688875.db2.gz MHHMMPMDWFXRCV-HSZRJFAPSA-N 2 2 404.514 3.507 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000509294490 1003689199 /nfs/dbraw/zinc/68/91/99/1003689199.db2.gz OLJXFCCPCCWNJI-LEWJYISDSA-N 2 2 416.610 3.738 20 0 HHADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000509294490 1003689212 /nfs/dbraw/zinc/68/92/12/1003689212.db2.gz OLJXFCCPCCWNJI-LEWJYISDSA-N 2 2 416.610 3.738 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)CC2)cc1 ZINC000509326889 1003709198 /nfs/dbraw/zinc/70/91/98/1003709198.db2.gz JCTARWVGCVQAJC-UHFFFAOYSA-N 2 2 403.574 3.955 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511825688 1003795892 /nfs/dbraw/zinc/79/58/92/1003795892.db2.gz VVCWAJRYQYECKI-MOPGFXCFSA-N 2 2 407.921 3.509 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511825688 1003795901 /nfs/dbraw/zinc/79/59/01/1003795901.db2.gz VVCWAJRYQYECKI-MOPGFXCFSA-N 2 2 407.921 3.509 20 0 HHADLP O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839178 1003816278 /nfs/dbraw/zinc/81/62/78/1003816278.db2.gz UFLSXHAAXPRWTF-UBFVSLLYSA-N 2 2 419.569 3.725 20 0 HHADLP O=C(C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839178 1003816293 /nfs/dbraw/zinc/81/62/93/1003816293.db2.gz UFLSXHAAXPRWTF-UBFVSLLYSA-N 2 2 419.569 3.725 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CC(c4ccc(F)c(Cl)c4)C3)CC2)CC1 ZINC000500748053 1003935025 /nfs/dbraw/zinc/93/50/25/1003935025.db2.gz LDGZPQGQPRORBX-UHFFFAOYSA-N 2 2 422.976 3.583 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000512006255 1003948875 /nfs/dbraw/zinc/94/88/75/1003948875.db2.gz GQUKEFSOUGFDQX-OAHLLOKOSA-N 2 2 419.570 3.769 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000512006255 1003948881 /nfs/dbraw/zinc/94/88/81/1003948881.db2.gz GQUKEFSOUGFDQX-OAHLLOKOSA-N 2 2 419.570 3.769 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccco1 ZINC000509595616 1003969011 /nfs/dbraw/zinc/96/90/11/1003969011.db2.gz IFWZZRYHXHVQDV-JENIJYKNSA-N 2 2 404.580 3.859 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512047077 1003978768 /nfs/dbraw/zinc/97/87/68/1003978768.db2.gz XKIYQKCEDDXQSA-UHFFFAOYSA-N 2 2 410.484 3.870 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000509713231 1004045760 /nfs/dbraw/zinc/04/57/60/1004045760.db2.gz NEGPMSIGALYDQD-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000509713231 1004045769 /nfs/dbraw/zinc/04/57/69/1004045769.db2.gz NEGPMSIGALYDQD-OFNKIYASSA-N 2 2 421.589 3.782 20 0 HHADLP C[N@H+](Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000509715011 1004046907 /nfs/dbraw/zinc/04/69/07/1004046907.db2.gz SWMCBJLPDLMIOG-QFIPXVFZSA-N 2 2 421.589 3.924 20 0 HHADLP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000509715011 1004046914 /nfs/dbraw/zinc/04/69/14/1004046914.db2.gz SWMCBJLPDLMIOG-QFIPXVFZSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000509848709 1004146950 /nfs/dbraw/zinc/14/69/50/1004146950.db2.gz CGOMIIYBFJLXAD-DNVFCKCGSA-N 2 2 410.562 3.720 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCCC2)C[C@@H](C)O1 ZINC000509855188 1004151436 /nfs/dbraw/zinc/15/14/36/1004151436.db2.gz QDBXVYVHCVMTAS-WOJBJXKFSA-N 2 2 402.583 3.683 20 0 HHADLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC(F)F ZINC000512350606 1004238355 /nfs/dbraw/zinc/23/83/55/1004238355.db2.gz RQQCHKWOFJECRQ-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC(F)F ZINC000512350606 1004238366 /nfs/dbraw/zinc/23/83/66/1004238366.db2.gz RQQCHKWOFJECRQ-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP C[NH+](C)Cc1cnc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)s1 ZINC000512370316 1004253146 /nfs/dbraw/zinc/25/31/46/1004253146.db2.gz OZKJGTSNQVXDRY-XZOQPEGZSA-N 2 2 406.599 3.963 20 0 HHADLP C[NH+](C)Cc1cnc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)s1 ZINC000512370316 1004253157 /nfs/dbraw/zinc/25/31/57/1004253157.db2.gz OZKJGTSNQVXDRY-XZOQPEGZSA-N 2 2 406.599 3.963 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510215483 1004400493 /nfs/dbraw/zinc/40/04/93/1004400493.db2.gz VUIMUJMJALTJCI-UHFFFAOYSA-N 2 2 421.589 3.532 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000510215483 1004400498 /nfs/dbraw/zinc/40/04/98/1004400498.db2.gz VUIMUJMJALTJCI-UHFFFAOYSA-N 2 2 421.589 3.532 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611230 1004424477 /nfs/dbraw/zinc/42/44/77/1004424477.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](Cc2ccccc2)C1 ZINC000512611230 1004424483 /nfs/dbraw/zinc/42/44/83/1004424483.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000512611230 1004424491 /nfs/dbraw/zinc/42/44/91/1004424491.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 3 2 419.613 3.514 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000512611230 1004424497 /nfs/dbraw/zinc/42/44/97/1004424497.db2.gz JAYJFOSZKBMCJD-NFGXINMFSA-N 3 2 419.613 3.514 20 0 HHADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000512696616 1004500556 /nfs/dbraw/zinc/50/05/56/1004500556.db2.gz CERMRSRAAYZSOT-ROUUACIJSA-N 2 2 411.537 3.677 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3csc4ccc(Cl)cc34)CC2)CC1 ZINC000501659824 1004580155 /nfs/dbraw/zinc/58/01/55/1004580155.db2.gz RXSPRUDQMKIDSA-UHFFFAOYSA-N 2 2 405.995 3.772 20 0 HHADLP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000512921931 1004696106 /nfs/dbraw/zinc/69/61/06/1004696106.db2.gz DYBSDMFJZBCNMT-BVYCBKJFSA-N 2 2 413.566 3.566 20 0 HHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000512999357 1004752354 /nfs/dbraw/zinc/75/23/54/1004752354.db2.gz ZTNKHPXOHHDJJV-NOTZXAQLSA-N 2 2 407.558 3.535 20 0 HHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512999357 1004752361 /nfs/dbraw/zinc/75/23/61/1004752361.db2.gz ZTNKHPXOHHDJJV-NOTZXAQLSA-N 2 2 407.558 3.535 20 0 HHADLP CC[C@@H](C(=O)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1)c1ccccc1 ZINC000513040467 1004773202 /nfs/dbraw/zinc/77/32/02/1004773202.db2.gz GRTAXKXXLPIONH-HSZRJFAPSA-N 2 2 406.574 3.825 20 0 HHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000513065359 1004787453 /nfs/dbraw/zinc/78/74/53/1004787453.db2.gz RXCSYMBNPWKUSU-GHTZIAJQSA-N 2 2 421.651 3.896 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881469 1004793256 /nfs/dbraw/zinc/79/32/56/1004793256.db2.gz KVQIFXZSPWFYGH-MRUTVQKHSA-N 2 2 424.511 3.506 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881469 1004793263 /nfs/dbraw/zinc/79/32/63/1004793263.db2.gz KVQIFXZSPWFYGH-MRUTVQKHSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881469 1004793271 /nfs/dbraw/zinc/79/32/71/1004793271.db2.gz KVQIFXZSPWFYGH-MRUTVQKHSA-N 2 2 424.511 3.506 20 0 HHADLP CC[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501881469 1004793275 /nfs/dbraw/zinc/79/32/75/1004793275.db2.gz KVQIFXZSPWFYGH-MRUTVQKHSA-N 2 2 424.511 3.506 20 0 HHADLP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000513203849 1004859330 /nfs/dbraw/zinc/85/93/30/1004859330.db2.gz LGOONWWJZZVFAE-KRWDZBQOSA-N 2 2 406.452 3.818 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1C ZINC000502062504 1004885245 /nfs/dbraw/zinc/88/52/45/1004885245.db2.gz HHZUSCNSYOBYLU-UHFFFAOYSA-N 2 2 410.562 3.510 20 0 HHADLP COCC[N@H+](C)CC[C@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510847742 1004889426 /nfs/dbraw/zinc/88/94/26/1004889426.db2.gz UGQAJDDPHJJUFF-QFIPXVFZSA-N 2 2 406.530 3.620 20 0 HHADLP COCC[N@@H+](C)CC[C@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccccc1 ZINC000510847742 1004889430 /nfs/dbraw/zinc/88/94/30/1004889430.db2.gz UGQAJDDPHJJUFF-QFIPXVFZSA-N 2 2 406.530 3.620 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000510880819 1004907852 /nfs/dbraw/zinc/90/78/52/1004907852.db2.gz LJALWYTYTUXSHM-ROUUACIJSA-N 2 2 418.548 3.698 20 0 HHADLP CN(C(=O)NCC1(C(F)(F)F)CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000510880819 1004907857 /nfs/dbraw/zinc/90/78/57/1004907857.db2.gz LJALWYTYTUXSHM-ROUUACIJSA-N 2 2 418.548 3.698 20 0 HHADLP CC(C)Cc1ccc([C@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000513376686 1004933501 /nfs/dbraw/zinc/93/35/01/1004933501.db2.gz IKYSQLXLUQVSEH-QFIPXVFZSA-N 2 2 411.594 3.862 20 0 HHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000513461435 1004977130 /nfs/dbraw/zinc/97/71/30/1004977130.db2.gz MPTGMLLLASGYAM-IBGZPJMESA-N 2 2 410.002 3.739 20 0 HHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OCC ZINC000513461435 1004977134 /nfs/dbraw/zinc/97/71/34/1004977134.db2.gz MPTGMLLLASGYAM-IBGZPJMESA-N 2 2 410.002 3.739 20 0 HHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)cc2)CC1 ZINC000513526799 1005006119 /nfs/dbraw/zinc/00/61/19/1005006119.db2.gz QDULIOYSENMBPK-SANMLTNESA-N 2 2 415.585 3.688 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513572470 1005030286 /nfs/dbraw/zinc/03/02/86/1005030286.db2.gz MERYTMCGKIBRCV-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513572470 1005030289 /nfs/dbraw/zinc/03/02/89/1005030289.db2.gz MERYTMCGKIBRCV-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000513667395 1005074119 /nfs/dbraw/zinc/07/41/19/1005074119.db2.gz RGULKTKOIYTPOM-UHFFFAOYSA-N 2 2 418.632 3.638 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272837 1005102213 /nfs/dbraw/zinc/10/22/13/1005102213.db2.gz KCOIINLXPNUREU-MOPGFXCFSA-N 2 2 420.601 3.996 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272837 1005102216 /nfs/dbraw/zinc/10/22/16/1005102216.db2.gz KCOIINLXPNUREU-MOPGFXCFSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2C1 ZINC000511272837 1005102220 /nfs/dbraw/zinc/10/22/20/1005102220.db2.gz KCOIINLXPNUREU-MOPGFXCFSA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2C1 ZINC000511272837 1005102223 /nfs/dbraw/zinc/10/22/23/1005102223.db2.gz KCOIINLXPNUREU-MOPGFXCFSA-N 2 2 420.601 3.996 20 0 HHADLP CC(C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000511385765 1005150938 /nfs/dbraw/zinc/15/09/38/1005150938.db2.gz CCUVBGWPRIIRLD-OAQYLSRUSA-N 2 2 409.018 3.747 20 0 HHADLP CC(C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000511385765 1005150941 /nfs/dbraw/zinc/15/09/41/1005150941.db2.gz CCUVBGWPRIIRLD-OAQYLSRUSA-N 2 2 409.018 3.747 20 0 HHADLP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccncc1 ZINC000502744261 1005198363 /nfs/dbraw/zinc/19/83/63/1005198363.db2.gz QFOARWYWAWRGML-NRFANRHFSA-N 2 2 400.954 3.510 20 0 HHADLP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccncc1 ZINC000502744261 1005198366 /nfs/dbraw/zinc/19/83/66/1005198366.db2.gz QFOARWYWAWRGML-NRFANRHFSA-N 2 2 400.954 3.510 20 0 HHADLP CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000502787068 1005217518 /nfs/dbraw/zinc/21/75/18/1005217518.db2.gz AATGNTPORYPKTR-FQEVSTJZSA-N 2 2 420.667 3.842 20 0 HHADLP CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502787068 1005217522 /nfs/dbraw/zinc/21/75/22/1005217522.db2.gz AATGNTPORYPKTR-FQEVSTJZSA-N 2 2 420.667 3.842 20 0 HHADLP COc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc(OC)c1C(C)C ZINC000511572277 1005229566 /nfs/dbraw/zinc/22/95/66/1005229566.db2.gz IVJWVTHWZNRIIF-UHFFFAOYSA-N 2 2 417.594 3.507 20 0 HHADLP CCC1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514026611 1005233662 /nfs/dbraw/zinc/23/36/62/1005233662.db2.gz ISDDBTWYARGVGT-QHCPKHFHSA-N 2 2 422.573 3.937 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000514031961 1005235771 /nfs/dbraw/zinc/23/57/71/1005235771.db2.gz AAVMVZMVJLBOJI-UHFFFAOYSA-N 2 2 421.520 3.997 20 0 HHADLP CCC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514031930 1005235789 /nfs/dbraw/zinc/23/57/89/1005235789.db2.gz ZOTCIYKGXDPURG-QFIPXVFZSA-N 2 2 421.589 3.652 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000514082457 1005257307 /nfs/dbraw/zinc/25/73/07/1005257307.db2.gz HWSYBXMECFYDPU-VWLOTQADSA-N 2 2 420.601 3.828 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000514111457 1005270553 /nfs/dbraw/zinc/27/05/53/1005270553.db2.gz QPFKQGXHDAHYBH-HDICACEKSA-N 2 2 401.530 3.569 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000514111457 1005270560 /nfs/dbraw/zinc/27/05/60/1005270560.db2.gz QPFKQGXHDAHYBH-HDICACEKSA-N 2 2 401.530 3.569 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000503431562 1005418449 /nfs/dbraw/zinc/41/84/49/1005418449.db2.gz GAMYQYMOEHLJHO-FQEVSTJZSA-N 2 2 401.942 3.720 20 0 HHADLP O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437041 1005420202 /nfs/dbraw/zinc/42/02/02/1005420202.db2.gz WFAQSQKSZOJOFT-LPHOPBHVSA-N 2 2 423.479 3.858 20 0 HHADLP O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437041 1005420204 /nfs/dbraw/zinc/42/02/04/1005420204.db2.gz WFAQSQKSZOJOFT-LPHOPBHVSA-N 2 2 423.479 3.858 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000503456338 1005425828 /nfs/dbraw/zinc/42/58/28/1005425828.db2.gz CFBMFEVNHSDBQL-PMACEKPBSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)C1 ZINC000503466152 1005429137 /nfs/dbraw/zinc/42/91/37/1005429137.db2.gz RXWJMEDWIOKEKP-WOJBJXKFSA-N 2 2 409.578 3.908 20 0 HHADLP CC[NH+]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC(F)(F)F)CC1 ZINC000504374453 1005610937 /nfs/dbraw/zinc/61/09/37/1005610937.db2.gz NKJCSULWHFZRHD-KRWDZBQOSA-N 2 2 420.907 3.612 20 0 HHADLP CC[NH+]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC(F)(F)F)CC1 ZINC000504374453 1005610940 /nfs/dbraw/zinc/61/09/40/1005610940.db2.gz NKJCSULWHFZRHD-KRWDZBQOSA-N 2 2 420.907 3.612 20 0 HHADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000514446066 1005995192 /nfs/dbraw/zinc/99/51/92/1005995192.db2.gz LHLROBURTFYTEM-QFIPXVFZSA-N 2 2 407.562 3.708 20 0 HHADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177663 1006163909 /nfs/dbraw/zinc/16/39/09/1006163909.db2.gz LRFUZDQLAXKNGK-HTAPYJJXSA-N 2 2 415.965 3.992 20 0 HHADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534177663 1006163915 /nfs/dbraw/zinc/16/39/15/1006163915.db2.gz LRFUZDQLAXKNGK-HTAPYJJXSA-N 2 2 415.965 3.992 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534203144 1006194824 /nfs/dbraw/zinc/19/48/24/1006194824.db2.gz SAKONZUGMOLLRH-MOPGFXCFSA-N 2 2 400.558 3.543 20 0 HHADLP CN(C(=O)NC1CCC(F)(F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534203144 1006194829 /nfs/dbraw/zinc/19/48/29/1006194829.db2.gz SAKONZUGMOLLRH-MOPGFXCFSA-N 2 2 400.558 3.543 20 0 HHADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000515017965 1006252905 /nfs/dbraw/zinc/25/29/05/1006252905.db2.gz CGKLFTPAZHPXTN-VWLOTQADSA-N 2 2 416.569 3.673 20 0 HHADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000515017965 1006252917 /nfs/dbraw/zinc/25/29/17/1006252917.db2.gz CGKLFTPAZHPXTN-VWLOTQADSA-N 2 2 416.569 3.673 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251936 1006260817 /nfs/dbraw/zinc/26/08/17/1006260817.db2.gz VWJDFNPOIRLOBL-OXJNMPFZSA-N 2 2 419.932 3.715 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534251936 1006260845 /nfs/dbraw/zinc/26/08/45/1006260845.db2.gz VWJDFNPOIRLOBL-OXJNMPFZSA-N 2 2 419.932 3.715 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCOc4c(-c5ccccc5)cccc43)cn2)CC1 ZINC000531629707 1006315653 /nfs/dbraw/zinc/31/56/53/1006315653.db2.gz CLNAUQVIONYRPV-QHCPKHFHSA-N 2 2 415.541 3.509 20 0 HHADLP CN(C(=O)[C@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357524 1006318029 /nfs/dbraw/zinc/31/80/29/1006318029.db2.gz BMTQQBFTEJNRQK-HBMCJLEFSA-N 2 2 403.636 3.964 20 0 HHADLP CN(C(=O)[C@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357524 1006318041 /nfs/dbraw/zinc/31/80/41/1006318041.db2.gz BMTQQBFTEJNRQK-HBMCJLEFSA-N 2 2 403.636 3.964 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358294 1006319684 /nfs/dbraw/zinc/31/96/84/1006319684.db2.gz ABZJLMVMERGHLW-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000534358294 1006319694 /nfs/dbraw/zinc/31/96/94/1006319694.db2.gz ABZJLMVMERGHLW-RPWUZVMVSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361389 1006326207 /nfs/dbraw/zinc/32/62/07/1006326207.db2.gz YUXFRPWZEJWLNV-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1ccnn1-c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534361389 1006326213 /nfs/dbraw/zinc/32/62/13/1006326213.db2.gz YUXFRPWZEJWLNV-DNQXCXABSA-N 2 2 423.605 3.590 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361121 1006326384 /nfs/dbraw/zinc/32/63/84/1006326384.db2.gz SMGBIARLHSAPJR-PMACEKPBSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361121 1006326391 /nfs/dbraw/zinc/32/63/91/1006326391.db2.gz SMGBIARLHSAPJR-PMACEKPBSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361606 1006327398 /nfs/dbraw/zinc/32/73/98/1006327398.db2.gz NAEHOQUNLXMEOT-OALUTQOASA-N 2 2 406.640 3.850 20 0 HHADLP CN(C(=O)c1csc(C(C)(C)C)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361606 1006327414 /nfs/dbraw/zinc/32/74/14/1006327414.db2.gz NAEHOQUNLXMEOT-OALUTQOASA-N 2 2 406.640 3.850 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376121 1006344869 /nfs/dbraw/zinc/34/48/69/1006344869.db2.gz BUJWEWZTABCTAS-BJKOFHAPSA-N 2 2 414.638 3.825 20 0 HHADLP Cc1cc(C)cc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534376121 1006344879 /nfs/dbraw/zinc/34/48/79/1006344879.db2.gz BUJWEWZTABCTAS-BJKOFHAPSA-N 2 2 414.638 3.825 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534376349 1006345309 /nfs/dbraw/zinc/34/53/09/1006345309.db2.gz CNFKSLLSHNZFGT-SFTDATJTSA-N 2 2 407.002 3.819 20 0 HHADLP CN(C(=O)NCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534376349 1006345317 /nfs/dbraw/zinc/34/53/17/1006345317.db2.gz CNFKSLLSHNZFGT-SFTDATJTSA-N 2 2 407.002 3.819 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384917 1006357248 /nfs/dbraw/zinc/35/72/48/1006357248.db2.gz LVSVKYWGLUVBCT-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1ccc(CCNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534384917 1006357253 /nfs/dbraw/zinc/35/72/53/1006357253.db2.gz LVSVKYWGLUVBCT-XZOQPEGZSA-N 2 2 400.611 3.516 20 0 HHADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000534537978 1006529689 /nfs/dbraw/zinc/52/96/89/1006529689.db2.gz RHSOSXYAMYTMDP-DNVJHFABSA-N 2 2 401.514 3.598 20 0 HHADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000534537978 1006529697 /nfs/dbraw/zinc/52/96/97/1006529697.db2.gz RHSOSXYAMYTMDP-DNVJHFABSA-N 2 2 401.514 3.598 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000534543687 1006533529 /nfs/dbraw/zinc/53/35/29/1006533529.db2.gz OJLMBOVVBDJFJV-QFIPXVFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000534543687 1006533553 /nfs/dbraw/zinc/53/35/53/1006533553.db2.gz OJLMBOVVBDJFJV-QFIPXVFZSA-N 2 2 404.514 3.705 20 0 HHADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531946714 1006537252 /nfs/dbraw/zinc/53/72/52/1006537252.db2.gz LWWIDUVBISMGHA-OAHLLOKOSA-N 2 2 417.351 3.820 20 0 HHADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531947520 1006537847 /nfs/dbraw/zinc/53/78/47/1006537847.db2.gz VGBBJLBVUYXMBW-HNNXBMFYSA-N 2 2 422.451 3.956 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983105 1006559474 /nfs/dbraw/zinc/55/94/74/1006559474.db2.gz QNJGQHVHGRMHDN-FYYLOGMGSA-N 2 2 402.542 3.698 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983105 1006559480 /nfs/dbraw/zinc/55/94/80/1006559480.db2.gz QNJGQHVHGRMHDN-FYYLOGMGSA-N 2 2 402.542 3.698 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538354536 1006622493 /nfs/dbraw/zinc/62/24/93/1006622493.db2.gz QRAHDWDCDJANHS-RTBURBONSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1c(F)cc(F)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538354536 1006622500 /nfs/dbraw/zinc/62/25/00/1006622500.db2.gz QRAHDWDCDJANHS-RTBURBONSA-N 2 2 412.500 3.905 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000538442924 1006709992 /nfs/dbraw/zinc/70/99/92/1006709992.db2.gz MBWWUFUTIUPPLF-SJLPKXTDSA-N 2 2 416.595 3.830 20 0 HHADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000538442924 1006710004 /nfs/dbraw/zinc/71/00/04/1006710004.db2.gz MBWWUFUTIUPPLF-SJLPKXTDSA-N 2 2 416.595 3.830 20 0 HHADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532202980 1006719098 /nfs/dbraw/zinc/71/90/98/1006719098.db2.gz STRJZIFQESGIHG-OAHLLOKOSA-N 2 2 417.351 3.820 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479677 1006748578 /nfs/dbraw/zinc/74/85/78/1006748578.db2.gz JTDRZMSSHZEGGM-RBUKOAKNSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538479677 1006748597 /nfs/dbraw/zinc/74/85/97/1006748597.db2.gz JTDRZMSSHZEGGM-RBUKOAKNSA-N 2 2 407.628 3.897 20 0 HHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000538587842 1006855074 /nfs/dbraw/zinc/85/50/74/1006855074.db2.gz IMOKQZUUJQYCLF-LJQANCHMSA-N 2 2 409.578 3.622 20 0 HHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448598 1006891606 /nfs/dbraw/zinc/89/16/06/1006891606.db2.gz KIAXNQCHCVDUQZ-LJQANCHMSA-N 2 2 411.546 3.515 20 0 HHADLP Cc1nc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)sc1Cc1ccc(C)cc1 ZINC000532486511 1006926368 /nfs/dbraw/zinc/92/63/68/1006926368.db2.gz HMAFZGFHHCTQFH-UHFFFAOYSA-N 2 2 414.619 3.953 20 0 HHADLP Cc1csc(C(C)(C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000534912587 1006945759 /nfs/dbraw/zinc/94/57/59/1006945759.db2.gz GFCOFCOXVHEKQI-SFHVURJKSA-N 2 2 421.010 3.883 20 0 HHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccccc3OCc3ccncc3)[nH+]c2)C1 ZINC000532565327 1006997050 /nfs/dbraw/zinc/99/70/50/1006997050.db2.gz FANQROYBKBAWDN-JOCHJYFZSA-N 2 2 403.530 3.808 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532571931 1007003330 /nfs/dbraw/zinc/00/33/30/1007003330.db2.gz IUWRTHFTXSVGMG-XLIONFOSSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532571931 1007003345 /nfs/dbraw/zinc/00/33/45/1007003345.db2.gz IUWRTHFTXSVGMG-XLIONFOSSA-N 2 2 422.411 3.746 20 0 HHADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000538782035 1007063120 /nfs/dbraw/zinc/06/31/20/1007063120.db2.gz LSEIFRVTDVYOEX-HXUWFJFHSA-N 2 2 402.542 3.572 20 0 HHADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000538782035 1007063139 /nfs/dbraw/zinc/06/31/39/1007063139.db2.gz LSEIFRVTDVYOEX-HXUWFJFHSA-N 2 2 402.542 3.572 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000538807911 1007086951 /nfs/dbraw/zinc/08/69/51/1007086951.db2.gz JKWQJEWXWNKWJP-IBGZPJMESA-N 2 2 400.611 3.509 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000538807911 1007086966 /nfs/dbraw/zinc/08/69/66/1007086966.db2.gz JKWQJEWXWNKWJP-IBGZPJMESA-N 2 2 400.611 3.509 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094323 1007109703 /nfs/dbraw/zinc/10/97/03/1007109703.db2.gz GJNLFAGEBZPEDY-DHIUTWEWSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094323 1007109712 /nfs/dbraw/zinc/10/97/12/1007109712.db2.gz GJNLFAGEBZPEDY-DHIUTWEWSA-N 2 2 412.578 3.586 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095456 1007111871 /nfs/dbraw/zinc/11/18/71/1007111871.db2.gz NISVNOCCNOUWHI-WOJBJXKFSA-N 2 2 406.640 3.751 20 0 HHADLP CC(C)Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535095456 1007111877 /nfs/dbraw/zinc/11/18/77/1007111877.db2.gz NISVNOCCNOUWHI-WOJBJXKFSA-N 2 2 406.640 3.751 20 0 HHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000516503557 1007112963 /nfs/dbraw/zinc/11/29/63/1007112963.db2.gz PAJBKQGPTAQYNI-GHTZIAJQSA-N 2 2 400.592 3.575 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097614 1007115360 /nfs/dbraw/zinc/11/53/60/1007115360.db2.gz XABFLZAZVQNKBJ-RPWUZVMVSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097614 1007115364 /nfs/dbraw/zinc/11/53/64/1007115364.db2.gz XABFLZAZVQNKBJ-RPWUZVMVSA-N 2 2 410.606 3.814 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115105 1007143190 /nfs/dbraw/zinc/14/31/90/1007143190.db2.gz CTYYIFIEVJJUDS-TZYHBYERSA-N 2 2 416.610 3.735 20 0 HHADLP COc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535115105 1007143200 /nfs/dbraw/zinc/14/32/00/1007143200.db2.gz CTYYIFIEVJJUDS-TZYHBYERSA-N 2 2 416.610 3.735 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ncc(Br)s1 ZINC000535230964 1007283354 /nfs/dbraw/zinc/28/33/54/1007283354.db2.gz QKKOBTPYQJLCRM-CYBMUJFWSA-N 2 2 410.381 3.713 20 0 HHADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000539023436 1007321145 /nfs/dbraw/zinc/32/11/45/1007321145.db2.gz DQTXGIAHJOAFSU-IBGZPJMESA-N 2 2 406.014 3.975 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000539049402 1007346033 /nfs/dbraw/zinc/34/60/33/1007346033.db2.gz HVWZQLAAVPMACZ-GCJKJVERSA-N 2 2 412.559 3.964 20 0 HHADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000539076255 1007368048 /nfs/dbraw/zinc/36/80/48/1007368048.db2.gz CNBWDUUACDMRRW-FCHUYYIVSA-N 2 2 409.578 3.585 20 0 HHADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)cc1 ZINC000539079008 1007370338 /nfs/dbraw/zinc/37/03/38/1007370338.db2.gz QGUXUMLCSULOLJ-WOJBJXKFSA-N 2 2 415.969 3.676 20 0 HHADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000535327359 1007380273 /nfs/dbraw/zinc/38/02/73/1007380273.db2.gz NXAUOLPGYMUNGH-HXUWFJFHSA-N 2 2 423.561 3.566 20 0 HHADLP C[C@H](OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000517046642 1007380432 /nfs/dbraw/zinc/38/04/32/1007380432.db2.gz FKTVHZJMIRAVBL-KXBFYZLASA-N 2 2 403.885 3.893 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000539150141 1007446308 /nfs/dbraw/zinc/44/63/08/1007446308.db2.gz WUXVXTCWTAAAKM-IRXDYDNUSA-N 2 2 411.384 3.539 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CCC2 ZINC000533089358 1007448555 /nfs/dbraw/zinc/44/85/55/1007448555.db2.gz MXSRKKODXOLURO-OTWHNJEPSA-N 2 2 406.530 3.656 20 0 HHADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000539223501 1007515611 /nfs/dbraw/zinc/51/56/11/1007515611.db2.gz GCBCNEYLBQHXHQ-LJQANCHMSA-N 2 2 411.546 3.595 20 0 HHADLP CC[N@H+](C[C@H](O)COc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396236 1007708918 /nfs/dbraw/zinc/70/89/18/1007708918.db2.gz PGPBJDVMJDNGDA-NRFANRHFSA-N 2 2 412.578 3.639 20 0 HHADLP CC[N@@H+](C[C@H](O)COc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396236 1007708927 /nfs/dbraw/zinc/70/89/27/1007708927.db2.gz PGPBJDVMJDNGDA-NRFANRHFSA-N 2 2 412.578 3.639 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000533484798 1007793087 /nfs/dbraw/zinc/79/30/87/1007793087.db2.gz SRMYOTNXVLCVGO-DEOSSOPVSA-N 2 2 400.526 3.694 20 0 HHADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539495393 1007806840 /nfs/dbraw/zinc/80/68/40/1007806840.db2.gz OYLNNNBDLHLQSU-INIZCTEOSA-N 2 2 412.921 3.871 20 0 HHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000533496763 1007807556 /nfs/dbraw/zinc/80/75/56/1007807556.db2.gz ALJBEMRKOLYXTQ-NRFANRHFSA-N 3 2 421.633 3.927 20 0 HHADLP CC(=O)Nc1ccccc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000539504507 1007814639 /nfs/dbraw/zinc/81/46/39/1007814639.db2.gz SJIDWQNRLDBBHU-UHFFFAOYSA-N 2 2 400.954 3.600 20 0 HHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000539509261 1007819071 /nfs/dbraw/zinc/81/90/71/1007819071.db2.gz XZSMHNFHRHSOQA-KPOBHBOGSA-N 2 2 411.384 3.876 20 0 HHADLP CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)o1 ZINC000539510859 1007819868 /nfs/dbraw/zinc/81/98/68/1007819868.db2.gz PYRQKGJAGBBWIU-INIZCTEOSA-N 2 2 403.498 3.588 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535810327 1007821968 /nfs/dbraw/zinc/82/19/68/1007821968.db2.gz CVQRAHWCEBBKLZ-OXJNMPFZSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535810327 1007821983 /nfs/dbraw/zinc/82/19/83/1007821983.db2.gz CVQRAHWCEBBKLZ-OXJNMPFZSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810327 1007821993 /nfs/dbraw/zinc/82/19/93/1007821993.db2.gz CVQRAHWCEBBKLZ-OXJNMPFZSA-N 2 2 403.368 3.859 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810327 1007822002 /nfs/dbraw/zinc/82/20/02/1007822002.db2.gz CVQRAHWCEBBKLZ-OXJNMPFZSA-N 2 2 403.368 3.859 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000517617899 1007824285 /nfs/dbraw/zinc/82/42/85/1007824285.db2.gz RWUJGVMJRPKHAE-NRFANRHFSA-N 2 2 415.969 3.938 20 0 HHADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000517617899 1007824298 /nfs/dbraw/zinc/82/42/98/1007824298.db2.gz RWUJGVMJRPKHAE-NRFANRHFSA-N 2 2 415.969 3.938 20 0 HHADLP O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000533513651 1007833970 /nfs/dbraw/zinc/83/39/70/1007833970.db2.gz MIRWGMXPNKDLQD-DEOSSOPVSA-N 2 2 411.521 3.727 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533527472 1007847986 /nfs/dbraw/zinc/84/79/86/1007847986.db2.gz JQMKDPSSSQHHBV-MRXNPFEDSA-N 2 2 409.361 3.733 20 0 HHADLP CC[C@H]1CCCCN1C(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532177 1007852713 /nfs/dbraw/zinc/85/27/13/1007852713.db2.gz LZLBPTMVWQMBBK-FQEVSTJZSA-N 2 2 415.626 3.990 20 0 HHADLP CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532177 1007852719 /nfs/dbraw/zinc/85/27/19/1007852719.db2.gz LZLBPTMVWQMBBK-FQEVSTJZSA-N 2 2 415.626 3.990 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855853 1007870463 /nfs/dbraw/zinc/87/04/63/1007870463.db2.gz OSUNPRQNSOLVED-ZWKOTPCHSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855853 1007870474 /nfs/dbraw/zinc/87/04/74/1007870474.db2.gz OSUNPRQNSOLVED-ZWKOTPCHSA-N 2 2 412.500 3.510 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535856474 1007871483 /nfs/dbraw/zinc/87/14/83/1007871483.db2.gz VJTPEEVFZCICHX-WWPVKYPJSA-N 2 2 407.643 3.910 20 0 HHADLP C[C@H](OC1CCCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535856474 1007871498 /nfs/dbraw/zinc/87/14/98/1007871498.db2.gz VJTPEEVFZCICHX-WWPVKYPJSA-N 2 2 407.643 3.910 20 0 HHADLP C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517666373 1007879940 /nfs/dbraw/zinc/87/99/40/1007879940.db2.gz XGMIITZTPGJGQP-NRFANRHFSA-N 2 2 416.569 3.891 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874894 1007892674 /nfs/dbraw/zinc/89/26/74/1007892674.db2.gz FKMPJCKTFQKULJ-DUXKGJEZSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874894 1007892684 /nfs/dbraw/zinc/89/26/84/1007892684.db2.gz FKMPJCKTFQKULJ-DUXKGJEZSA-N 2 2 406.640 3.658 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632051 1007938453 /nfs/dbraw/zinc/93/84/53/1007938453.db2.gz VZYJRVGDWQRQGD-PNQJHCTGSA-N 2 2 410.965 3.644 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632051 1007938470 /nfs/dbraw/zinc/93/84/70/1007938470.db2.gz VZYJRVGDWQRQGD-PNQJHCTGSA-N 2 2 410.965 3.644 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646882 1007955558 /nfs/dbraw/zinc/95/55/58/1007955558.db2.gz HLEGTLUXLCUMDJ-JWQCQUIFSA-N 2 2 424.633 3.999 20 0 HHADLP CCn1cc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000533646882 1007955564 /nfs/dbraw/zinc/95/55/64/1007955564.db2.gz HLEGTLUXLCUMDJ-JWQCQUIFSA-N 2 2 424.633 3.999 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650834 1007963477 /nfs/dbraw/zinc/96/34/77/1007963477.db2.gz IDGJMGQXLMLRTI-YADHBBJMSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650834 1007963483 /nfs/dbraw/zinc/96/34/83/1007963483.db2.gz IDGJMGQXLMLRTI-YADHBBJMSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650831 1007964127 /nfs/dbraw/zinc/96/41/27/1007964127.db2.gz IDGJMGQXLMLRTI-FCHUYYIVSA-N 2 2 410.562 3.751 20 0 HHADLP CN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650831 1007964138 /nfs/dbraw/zinc/96/41/38/1007964138.db2.gz IDGJMGQXLMLRTI-FCHUYYIVSA-N 2 2 410.562 3.751 20 0 HHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000539658407 1007973696 /nfs/dbraw/zinc/97/36/96/1007973696.db2.gz YKARADMOVIMZJQ-NQIIRXRSSA-N 2 2 420.561 3.708 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665111 1007980719 /nfs/dbraw/zinc/98/07/19/1007980719.db2.gz OKZXOQIZKHJJTP-YUXAGFNASA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccs1 ZINC000533665111 1007980722 /nfs/dbraw/zinc/98/07/22/1007980722.db2.gz OKZXOQIZKHJJTP-YUXAGFNASA-N 2 2 420.667 3.905 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533665315 1007980729 /nfs/dbraw/zinc/98/07/29/1007980729.db2.gz WVJJNUSNTCUQQQ-COPCDDAFSA-N 2 2 404.599 3.579 20 0 HHADLP C[C@H](CCc1ccco1)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533665315 1007980731 /nfs/dbraw/zinc/98/07/31/1007980731.db2.gz WVJJNUSNTCUQQQ-COPCDDAFSA-N 2 2 404.599 3.579 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000535964373 1008000934 /nfs/dbraw/zinc/00/09/34/1008000934.db2.gz QIHLUQSWJHVZRD-IBGZPJMESA-N 2 2 408.468 3.572 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000535964373 1008000944 /nfs/dbraw/zinc/00/09/44/1008000944.db2.gz QIHLUQSWJHVZRD-IBGZPJMESA-N 2 2 408.468 3.572 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000517920265 1008057526 /nfs/dbraw/zinc/05/75/26/1008057526.db2.gz NTUQHIHYVDGWRR-UHFFFAOYSA-N 2 2 420.601 3.957 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332706 1008264747 /nfs/dbraw/zinc/26/47/47/1008264747.db2.gz CRIBZLJPNNTNON-PMACEKPBSA-N 2 2 418.969 3.890 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccco1 ZINC000518332706 1008264755 /nfs/dbraw/zinc/26/47/55/1008264755.db2.gz CRIBZLJPNNTNON-PMACEKPBSA-N 2 2 418.969 3.890 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540242425 1008349589 /nfs/dbraw/zinc/34/95/89/1008349589.db2.gz KJUUGWXLNMYTMQ-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540242425 1008349591 /nfs/dbraw/zinc/34/95/91/1008349591.db2.gz KJUUGWXLNMYTMQ-VQTJNVASSA-N 2 2 410.965 3.646 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244089 1008350409 /nfs/dbraw/zinc/35/04/09/1008350409.db2.gz HQIBSHMCYUJRHJ-NIJZUDBWSA-N 2 2 408.949 3.539 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244089 1008350412 /nfs/dbraw/zinc/35/04/12/1008350412.db2.gz HQIBSHMCYUJRHJ-NIJZUDBWSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244089 1008350416 /nfs/dbraw/zinc/35/04/16/1008350416.db2.gz HQIBSHMCYUJRHJ-NIJZUDBWSA-N 2 2 408.949 3.539 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540244089 1008350421 /nfs/dbraw/zinc/35/04/21/1008350421.db2.gz HQIBSHMCYUJRHJ-NIJZUDBWSA-N 2 2 408.949 3.539 20 0 HHADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000540303944 1008373318 /nfs/dbraw/zinc/37/33/18/1008373318.db2.gz ZINGGNBRAVIEKR-DYESRHJHSA-N 2 2 411.981 3.866 20 0 HHADLP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000540441297 1008435760 /nfs/dbraw/zinc/43/57/60/1008435760.db2.gz IECQUGHHUMRFGU-INIZCTEOSA-N 2 2 417.550 3.672 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552306 1008478007 /nfs/dbraw/zinc/47/80/07/1008478007.db2.gz KDNQKWOAYZTWEH-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552306 1008478008 /nfs/dbraw/zinc/47/80/08/1008478008.db2.gz KDNQKWOAYZTWEH-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552306 1008478010 /nfs/dbraw/zinc/47/80/10/1008478010.db2.gz KDNQKWOAYZTWEH-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP Cc1nc(C)c([C@H](C)[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000540552306 1008478011 /nfs/dbraw/zinc/47/80/11/1008478011.db2.gz KDNQKWOAYZTWEH-IBGZPJMESA-N 2 2 414.619 3.796 20 0 HHADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1OCCC(C)C ZINC000519033140 1008506755 /nfs/dbraw/zinc/50/67/55/1008506755.db2.gz HOSSAXZCPLLIEV-AIZNXBIQSA-N 2 2 415.622 3.863 20 0 HHADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1OCCC(C)C ZINC000519033140 1008506759 /nfs/dbraw/zinc/50/67/59/1008506759.db2.gz HOSSAXZCPLLIEV-AIZNXBIQSA-N 2 2 415.622 3.863 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000543043305 1008625331 /nfs/dbraw/zinc/62/53/31/1008625331.db2.gz QSQKBQPPMHIQHI-REWPJTCUSA-N 2 2 409.578 3.748 20 0 HHADLP C[C@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000543043305 1008625336 /nfs/dbraw/zinc/62/53/36/1008625336.db2.gz QSQKBQPPMHIQHI-REWPJTCUSA-N 2 2 409.578 3.748 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000549158418 1008728111 /nfs/dbraw/zinc/72/81/11/1008728111.db2.gz DKXZERVSFNSJDM-XMMPIXPASA-N 2 2 417.557 3.876 20 0 HHADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164527 1008735814 /nfs/dbraw/zinc/73/58/14/1008735814.db2.gz HGGZURXRILWNEA-JOCHJYFZSA-N 2 2 423.557 3.692 20 0 HHADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549164527 1008735826 /nfs/dbraw/zinc/73/58/26/1008735826.db2.gz HGGZURXRILWNEA-JOCHJYFZSA-N 2 2 423.557 3.692 20 0 HHADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000519449998 1008827408 /nfs/dbraw/zinc/82/74/08/1008827408.db2.gz TYNIHHGTAVXUOR-QGZVFWFLSA-N 2 2 418.582 3.722 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000543263199 1008836015 /nfs/dbraw/zinc/83/60/15/1008836015.db2.gz XMICLYLREKCPQA-YADHBBJMSA-N 2 2 408.590 3.782 20 0 HHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545939565 1009009566 /nfs/dbraw/zinc/00/95/66/1009009566.db2.gz LEADMFTXHRSIMB-OLZOCXBDSA-N 2 2 404.527 3.863 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519884312 1009051300 /nfs/dbraw/zinc/05/13/00/1009051300.db2.gz LZOBFYSUCUUOSS-LJQANCHMSA-N 2 2 410.468 3.679 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519884312 1009051307 /nfs/dbraw/zinc/05/13/07/1009051307.db2.gz LZOBFYSUCUUOSS-LJQANCHMSA-N 2 2 410.468 3.679 20 0 HHADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000519913255 1009072450 /nfs/dbraw/zinc/07/24/50/1009072450.db2.gz OUOQQMHBTISQON-HSZRJFAPSA-N 2 2 409.599 3.689 20 0 HHADLP CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549526959 1009137417 /nfs/dbraw/zinc/13/74/17/1009137417.db2.gz GGMOUEKBLIZAMV-JOCHJYFZSA-N 2 2 414.569 3.942 20 0 HHADLP CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549526959 1009137428 /nfs/dbraw/zinc/13/74/28/1009137428.db2.gz GGMOUEKBLIZAMV-JOCHJYFZSA-N 2 2 414.569 3.942 20 0 HHADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000543601059 1009206575 /nfs/dbraw/zinc/20/65/75/1009206575.db2.gz GBOILLMKMWDFAF-RTWAWAEBSA-N 2 2 401.576 3.957 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+](C)C)cc1 ZINC000520188977 1009330746 /nfs/dbraw/zinc/33/07/46/1009330746.db2.gz ZERAFCJJFDUQCP-PKTZIBPZSA-N 2 2 411.615 3.758 20 0 HHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)o1 ZINC000520228710 1009353171 /nfs/dbraw/zinc/35/31/71/1009353171.db2.gz GIHUMBDGYLXMRB-QFIPXVFZSA-N 2 2 408.546 3.623 20 0 HHADLP C[NH+]1CCN(c2ccc(NC3CC[NH+](Cc4c(F)cccc4Cl)CC3)nc2)CC1 ZINC000543788320 1009357995 /nfs/dbraw/zinc/35/79/95/1009357995.db2.gz PKZVCTXOOXSEMK-UHFFFAOYSA-N 2 2 417.960 3.702 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000543810204 1009371571 /nfs/dbraw/zinc/37/15/71/1009371571.db2.gz GPVBZGKIMQGIQS-BFUOFWGJSA-N 2 2 413.319 3.820 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCCNc3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000520324472 1009454324 /nfs/dbraw/zinc/45/43/24/1009454324.db2.gz YTGAXZJKDCMVMF-UHFFFAOYSA-N 2 2 408.594 3.790 20 0 HHADLP Cc1cccc(N2CC[NH+](CCCCNc3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000520324472 1009454329 /nfs/dbraw/zinc/45/43/29/1009454329.db2.gz YTGAXZJKDCMVMF-UHFFFAOYSA-N 2 2 408.594 3.790 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941276 1009534656 /nfs/dbraw/zinc/53/46/56/1009534656.db2.gz XVVVVARYGCWOSI-QUCCMNQESA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543941276 1009534667 /nfs/dbraw/zinc/53/46/67/1009534667.db2.gz XVVVVARYGCWOSI-QUCCMNQESA-N 2 2 424.511 3.509 20 0 HHADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543970330 1009574246 /nfs/dbraw/zinc/57/42/46/1009574246.db2.gz ADRUSLDBHZZIQB-QHCPKHFHSA-N 2 2 409.578 3.750 20 0 HHADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543970330 1009574262 /nfs/dbraw/zinc/57/42/62/1009574262.db2.gz ADRUSLDBHZZIQB-QHCPKHFHSA-N 2 2 409.578 3.750 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543977047 1009579204 /nfs/dbraw/zinc/57/92/04/1009579204.db2.gz CBJGTNXDINESPA-UHFFFAOYSA-N 2 2 409.578 3.881 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520605462 1009681913 /nfs/dbraw/zinc/68/19/13/1009681913.db2.gz ZCMFAIDRYGUJMY-ZGXWSNOMSA-N 2 2 402.583 3.568 20 0 HHADLP C[C@H](c1cccc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000520605462 1009681918 /nfs/dbraw/zinc/68/19/18/1009681918.db2.gz ZCMFAIDRYGUJMY-ZGXWSNOMSA-N 2 2 402.583 3.568 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544187585 1009790658 /nfs/dbraw/zinc/79/06/58/1009790658.db2.gz SOZLPKMLTHSXNT-MRXNPFEDSA-N 2 2 418.588 3.815 20 0 HHADLP COc1ccccc1C1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000550287518 1009833639 /nfs/dbraw/zinc/83/36/39/1009833639.db2.gz VQBCAQUEFXFSDF-UHFFFAOYSA-N 2 2 413.606 3.572 20 0 HHADLP Cc1ccccc1-c1cccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000520957002 1010005376 /nfs/dbraw/zinc/00/53/76/1010005376.db2.gz WOFOJWMDVCXTOK-UHFFFAOYSA-N 2 2 414.553 3.886 20 0 HHADLP C[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550647538 1010080431 /nfs/dbraw/zinc/08/04/31/1010080431.db2.gz OKYYNGBTILGAIB-DQEYMECFSA-N 2 2 405.586 3.893 20 0 HHADLP C[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550647538 1010080442 /nfs/dbraw/zinc/08/04/42/1010080442.db2.gz OKYYNGBTILGAIB-DQEYMECFSA-N 2 2 405.586 3.893 20 0 HHADLP CCc1ccc([C@@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+](C)C)cc1 ZINC000544466806 1010089942 /nfs/dbraw/zinc/08/99/42/1010089942.db2.gz PNFVRSWEUGHFQD-HSZRJFAPSA-N 2 2 417.557 3.992 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)cc2)C[C@H](C)O1 ZINC000544579760 1010207654 /nfs/dbraw/zinc/20/76/54/1010207654.db2.gz DAMLEMJOYZYZBI-DFIYOIEZSA-N 2 2 402.542 3.965 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)cc2)C[C@H](C)O1 ZINC000544579760 1010207660 /nfs/dbraw/zinc/20/76/60/1010207660.db2.gz DAMLEMJOYZYZBI-DFIYOIEZSA-N 2 2 402.542 3.965 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000521206259 1010229423 /nfs/dbraw/zinc/22/94/23/1010229423.db2.gz UZRNEAAWOAWIGF-KCZVDYSFSA-N 2 2 403.636 3.651 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000551441586 1010587905 /nfs/dbraw/zinc/58/79/05/1010587905.db2.gz COXAIWJORARRRB-ZJOUEHCJSA-N 2 2 415.969 3.718 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000551441586 1010587912 /nfs/dbraw/zinc/58/79/12/1010587912.db2.gz COXAIWJORARRRB-ZJOUEHCJSA-N 2 2 415.969 3.718 20 0 HHADLP OCC1(Cc2ccccc2)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551450207 1010592441 /nfs/dbraw/zinc/59/24/41/1010592441.db2.gz ZOYXHTFJYHORNV-VWLOTQADSA-N 2 2 408.586 3.595 20 0 HHADLP OCC1(Cc2ccccc2)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551450207 1010592452 /nfs/dbraw/zinc/59/24/52/1010592452.db2.gz ZOYXHTFJYHORNV-VWLOTQADSA-N 2 2 408.586 3.595 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccsc1 ZINC000522282453 1010905008 /nfs/dbraw/zinc/90/50/08/1010905008.db2.gz HCCPJTCFVTVMII-GHTZIAJQSA-N 2 2 415.607 3.614 20 0 HHADLP C[C@H](c1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1)[NH+]1CCOCC1 ZINC000522431687 1011006276 /nfs/dbraw/zinc/00/62/76/1011006276.db2.gz LBHNRRKJGFDRGR-LRZVDXDASA-N 2 2 414.594 3.808 20 0 HHADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000522735792 1011184970 /nfs/dbraw/zinc/18/49/70/1011184970.db2.gz YBWIDYCIPHHMST-JOCHJYFZSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000522735792 1011184977 /nfs/dbraw/zinc/18/49/77/1011184977.db2.gz YBWIDYCIPHHMST-JOCHJYFZSA-N 2 2 408.590 3.903 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380281 1011589030 /nfs/dbraw/zinc/58/90/30/1011589030.db2.gz ZOHHETMJZZMFDT-VXKWHMMOSA-N 2 2 412.965 3.825 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1c1ccccn1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536380281 1011589042 /nfs/dbraw/zinc/58/90/42/1011589042.db2.gz ZOHHETMJZZMFDT-VXKWHMMOSA-N 2 2 412.965 3.825 20 0 HHADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+]2CCCC2)cc1 ZINC000523205202 1011695801 /nfs/dbraw/zinc/69/58/01/1011695801.db2.gz QENNUDKFASQWBX-QHCPKHFHSA-N 2 2 421.520 3.956 20 0 HHADLP C[C@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664897 1011816250 /nfs/dbraw/zinc/81/62/50/1011816250.db2.gz VRXNAJOCMQBSJI-YWZLYKJASA-N 2 2 410.389 3.727 20 0 HHADLP C[C@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536664897 1011816263 /nfs/dbraw/zinc/81/62/63/1011816263.db2.gz VRXNAJOCMQBSJI-YWZLYKJASA-N 2 2 410.389 3.727 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000536666759 1011819394 /nfs/dbraw/zinc/81/93/94/1011819394.db2.gz NYAZJJZMFBCWSH-OFNKIYASSA-N 2 2 404.618 3.910 20 0 HHADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000536666759 1011819409 /nfs/dbraw/zinc/81/94/09/1011819409.db2.gz NYAZJJZMFBCWSH-OFNKIYASSA-N 2 2 404.618 3.910 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(N4CCc5ccccc54)CC3)C2)cc1 ZINC000551736507 1011897900 /nfs/dbraw/zinc/89/79/00/1011897900.db2.gz HAPDYBTYCHAQNL-VWLOTQADSA-N 2 2 405.586 3.805 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(N4CCc5ccccc54)CC3)C2)cc1 ZINC000551736507 1011897917 /nfs/dbraw/zinc/89/79/17/1011897917.db2.gz HAPDYBTYCHAQNL-VWLOTQADSA-N 2 2 405.586 3.805 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251968 1011933210 /nfs/dbraw/zinc/93/32/10/1011933210.db2.gz OFOUYGHJAKIWJG-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251968 1011933222 /nfs/dbraw/zinc/93/32/22/1011933222.db2.gz OFOUYGHJAKIWJG-PMACEKPBSA-N 2 2 407.986 3.758 20 0 HHADLP CCc1ccc(C2=CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)cc1 ZINC000536763973 1011964241 /nfs/dbraw/zinc/96/42/41/1011964241.db2.gz SEUQLKPBSUYOPW-UHFFFAOYSA-N 2 2 410.606 3.606 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000541305020 1012009716 /nfs/dbraw/zinc/00/97/16/1012009716.db2.gz XJVITSHNOLPWKK-OAQYLSRUSA-N 2 2 419.491 3.664 20 0 HHADLP COc1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC1CCCC1 ZINC000552029150 1012055075 /nfs/dbraw/zinc/05/50/75/1012055075.db2.gz KNZPCRYMKSBECE-QFIPXVFZSA-N 2 2 410.558 3.525 20 0 HHADLP COc1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC1CCCC1 ZINC000552029150 1012055087 /nfs/dbraw/zinc/05/50/87/1012055087.db2.gz KNZPCRYMKSBECE-QFIPXVFZSA-N 2 2 410.558 3.525 20 0 HHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048444 1012068112 /nfs/dbraw/zinc/06/81/12/1012068112.db2.gz SROVNYFDRFUKKW-ZWKOTPCHSA-N 2 2 401.473 3.569 20 0 HHADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000552048444 1012068123 /nfs/dbraw/zinc/06/81/23/1012068123.db2.gz SROVNYFDRFUKKW-ZWKOTPCHSA-N 2 2 401.473 3.569 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536859104 1012092651 /nfs/dbraw/zinc/09/26/51/1012092651.db2.gz QXOPLVMLPJDKQD-FQEVSTJZSA-N 3 2 417.557 3.549 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536859123 1012093382 /nfs/dbraw/zinc/09/33/82/1012093382.db2.gz QXOPLVMLPJDKQD-HXUWFJFHSA-N 3 2 417.557 3.549 20 0 HHADLP COc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000552099261 1012115971 /nfs/dbraw/zinc/11/59/71/1012115971.db2.gz CGHMZQHRQLFUGY-UNPSAXADSA-N 2 2 421.585 3.652 20 0 HHADLP COc1cccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000552099261 1012115983 /nfs/dbraw/zinc/11/59/83/1012115983.db2.gz CGHMZQHRQLFUGY-UNPSAXADSA-N 2 2 421.585 3.652 20 0 HHADLP Brc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000536877408 1012120793 /nfs/dbraw/zinc/12/07/93/1012120793.db2.gz OUEJSBAOTGVIQV-KRWDZBQOSA-N 2 2 415.379 3.929 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccccc4C(F)(F)F)CC3)cn2)CC1 ZINC000552179923 1012192890 /nfs/dbraw/zinc/19/28/90/1012192890.db2.gz HKQNDTPELUBUNX-UHFFFAOYSA-N 2 2 417.479 3.537 20 0 HHADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccccc4C(F)(F)F)CC3)cn2)CC1 ZINC000552179923 1012192897 /nfs/dbraw/zinc/19/28/97/1012192897.db2.gz HKQNDTPELUBUNX-UHFFFAOYSA-N 2 2 417.479 3.537 20 0 HHADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942770 1012239672 /nfs/dbraw/zinc/23/96/72/1012239672.db2.gz UUOBLNXYUZIMOJ-UXHICEINSA-N 2 2 410.965 3.598 20 0 HHADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536942770 1012239702 /nfs/dbraw/zinc/23/97/02/1012239702.db2.gz UUOBLNXYUZIMOJ-UXHICEINSA-N 2 2 410.965 3.598 20 0 HHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541475256 1012244248 /nfs/dbraw/zinc/24/42/48/1012244248.db2.gz UYADOFXFPMRJSE-PMACEKPBSA-N 2 2 409.578 3.943 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486705 1012259987 /nfs/dbraw/zinc/25/99/87/1012259987.db2.gz VKGHHWPVZVRGCF-HSALFYBXSA-N 2 2 412.688 3.743 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486705 1012260001 /nfs/dbraw/zinc/26/00/01/1012260001.db2.gz VKGHHWPVZVRGCF-HSALFYBXSA-N 2 2 412.688 3.743 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486708 1012260112 /nfs/dbraw/zinc/26/01/12/1012260112.db2.gz VKGHHWPVZVRGCF-XUVXKRRUSA-N 2 2 412.688 3.743 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486708 1012260122 /nfs/dbraw/zinc/26/01/22/1012260122.db2.gz VKGHHWPVZVRGCF-XUVXKRRUSA-N 2 2 412.688 3.743 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000537018273 1012323141 /nfs/dbraw/zinc/32/31/41/1012323141.db2.gz QLMIVDBELABJDQ-ZWKOTPCHSA-N 2 2 417.500 3.844 20 0 HHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)C1 ZINC000523734465 1012353839 /nfs/dbraw/zinc/35/38/39/1012353839.db2.gz VTLPCNWROMRKBX-APWZRJJASA-N 2 2 417.575 3.765 20 0 HHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H](C)C1 ZINC000523734465 1012353854 /nfs/dbraw/zinc/35/38/54/1012353854.db2.gz VTLPCNWROMRKBX-APWZRJJASA-N 2 2 417.575 3.765 20 0 HHADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000523749077 1012371430 /nfs/dbraw/zinc/37/14/30/1012371430.db2.gz KBFMRMWVRJIAEG-UHFFFAOYSA-N 2 2 423.948 3.990 20 0 HHADLP c1ccc(COCCC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000541591211 1012383412 /nfs/dbraw/zinc/38/34/12/1012383412.db2.gz UZZWLXBUNVBBMQ-XMMPIXPASA-N 2 2 408.590 3.523 20 0 HHADLP c1ccc(COCCC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000541591211 1012383432 /nfs/dbraw/zinc/38/34/32/1012383432.db2.gz UZZWLXBUNVBBMQ-XMMPIXPASA-N 2 2 408.590 3.523 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000552434740 1012454217 /nfs/dbraw/zinc/45/42/17/1012454217.db2.gz YJWNHIXWBIKUTB-UHFFFAOYSA-N 2 2 404.514 3.584 20 0 HHADLP Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000541763696 1012627812 /nfs/dbraw/zinc/62/78/12/1012627812.db2.gz TVXQYVGQKQVRDO-UHFFFAOYSA-N 2 2 417.351 3.740 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814403 1012700685 /nfs/dbraw/zinc/70/06/85/1012700685.db2.gz HMRHCKSYWQNCLS-UZLBHIALSA-N 2 2 424.992 3.815 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000541814403 1012700695 /nfs/dbraw/zinc/70/06/95/1012700695.db2.gz HMRHCKSYWQNCLS-UZLBHIALSA-N 2 2 424.992 3.815 20 0 HHADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553051079 1013024565 /nfs/dbraw/zinc/02/45/65/1013024565.db2.gz GPPVZLWITSANOR-MRXNPFEDSA-N 2 2 409.361 3.733 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001670854653 1071793929 /nfs/dbraw/zinc/79/39/29/1071793929.db2.gz KVULQPLDMYYFRO-DXBBTUNJSA-N 2 2 422.658 3.559 20 0 HHADLP CCC1(CC)[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC001670854653 1071793939 /nfs/dbraw/zinc/79/39/39/1071793939.db2.gz KVULQPLDMYYFRO-DXBBTUNJSA-N 2 2 422.658 3.559 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684460 1071802677 /nfs/dbraw/zinc/80/26/77/1071802677.db2.gz QMEQEOAHTDNJOX-ISKFKSNPSA-N 2 2 418.541 3.501 20 0 HHADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000729684460 1071802703 /nfs/dbraw/zinc/80/27/03/1071802703.db2.gz QMEQEOAHTDNJOX-ISKFKSNPSA-N 2 2 418.541 3.501 20 0 HHADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001687423896 1071969037 /nfs/dbraw/zinc/96/90/37/1071969037.db2.gz ISGQWODPHYJISF-JOCHJYFZSA-N 2 2 409.509 3.537 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586864731 1072488249 /nfs/dbraw/zinc/48/82/49/1072488249.db2.gz XMNUOBUSUQYBAF-NRFANRHFSA-N 2 2 421.520 3.723 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586864731 1072488257 /nfs/dbraw/zinc/48/82/57/1072488257.db2.gz XMNUOBUSUQYBAF-NRFANRHFSA-N 2 2 421.520 3.723 20 0 HHADLP C[C@H](CN1CCOCC1)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340387 1072518731 /nfs/dbraw/zinc/51/87/31/1072518731.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@H](CN1CCOCC1)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340387 1072518736 /nfs/dbraw/zinc/51/87/36/1072518736.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@@H](CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCOCC1 ZINC001168340387 1072518746 /nfs/dbraw/zinc/51/87/46/1072518746.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 2 2 413.528 3.570 20 0 HHADLP C[C@@H](CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCOCC1 ZINC001168340387 1072518756 /nfs/dbraw/zinc/51/87/56/1072518756.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 2 2 413.528 3.570 20 0 HHADLP CN(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000479378592 1072786364 /nfs/dbraw/zinc/78/63/64/1072786364.db2.gz HOZYZRBLTPEZIG-YLPFRIKTSA-N 2 2 422.976 3.883 20 0 HHADLP CN(C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000479378592 1072786374 /nfs/dbraw/zinc/78/63/74/1072786374.db2.gz HOZYZRBLTPEZIG-YLPFRIKTSA-N 2 2 422.976 3.883 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001126870017 1072858762 /nfs/dbraw/zinc/85/87/62/1072858762.db2.gz QCLIRCKUPFLHRX-BJKOFHAPSA-N 2 2 423.626 3.900 20 0 HHADLP CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870017 1072858780 /nfs/dbraw/zinc/85/87/80/1072858780.db2.gz QCLIRCKUPFLHRX-BJKOFHAPSA-N 2 2 423.626 3.900 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588277409 1072986261 /nfs/dbraw/zinc/98/62/61/1072986261.db2.gz BFNVHTIVAWJUJB-IBGZPJMESA-N 2 2 401.942 3.789 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000588277410 1072986283 /nfs/dbraw/zinc/98/62/83/1072986283.db2.gz BFNVHTIVAWJUJB-LJQANCHMSA-N 2 2 401.942 3.789 20 0 HHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000554959956 1073013005 /nfs/dbraw/zinc/01/30/05/1073013005.db2.gz DZVROCNHKFSKDM-OAQYLSRUSA-N 2 2 415.484 3.703 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588362484 1073072014 /nfs/dbraw/zinc/07/20/14/1073072014.db2.gz CADJITPYADMZPM-DLBZAZTESA-N 2 2 415.965 3.545 20 0 HHADLP C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588362484 1073072026 /nfs/dbraw/zinc/07/20/26/1073072026.db2.gz CADJITPYADMZPM-DLBZAZTESA-N 2 2 415.965 3.545 20 0 HHADLP CC[NH+](CC)CCOc1cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)ccc1OC ZINC000588371878 1073078065 /nfs/dbraw/zinc/07/80/65/1073078065.db2.gz WKMAFSDDDYUPKG-UHFFFAOYSA-N 2 2 410.518 3.553 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCc2ccc3sccc3c2)([NH+]2CCCCC2)CC1 ZINC000555160340 1073221229 /nfs/dbraw/zinc/22/12/29/1073221229.db2.gz YCHHAVKWFDJERP-UHFFFAOYSA-N 2 2 400.592 3.651 20 0 HHADLP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccccc21 ZINC000555232912 1073276744 /nfs/dbraw/zinc/27/67/44/1073276744.db2.gz PRSTYNASXKNNEF-QIJUGHKUSA-N 2 2 408.546 3.816 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501248 1073564914 /nfs/dbraw/zinc/56/49/14/1073564914.db2.gz JDGIXDAHEXLJNM-SFGWALBWSA-N 2 2 410.537 3.900 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000555501248 1073564923 /nfs/dbraw/zinc/56/49/23/1073564923.db2.gz JDGIXDAHEXLJNM-SFGWALBWSA-N 2 2 410.537 3.900 20 0 HHADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000590150561 1073592281 /nfs/dbraw/zinc/59/22/81/1073592281.db2.gz BHVNVTPDEJEPGM-QFBILLFUSA-N 2 2 401.942 3.789 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620831 1073686540 /nfs/dbraw/zinc/68/65/40/1073686540.db2.gz PRTLBNBVKTWPPS-SIKLNZKXSA-N 2 2 408.521 3.953 20 0 HHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cccn2)c(F)c1 ZINC000555620831 1073686545 /nfs/dbraw/zinc/68/65/45/1073686545.db2.gz PRTLBNBVKTWPPS-SIKLNZKXSA-N 2 2 408.521 3.953 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000555651370 1073705431 /nfs/dbraw/zinc/70/54/31/1073705431.db2.gz ULNNINISDCPTHG-UHFFFAOYSA-N 2 2 405.546 3.773 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590846044 1074015254 /nfs/dbraw/zinc/01/52/54/1074015254.db2.gz COBAAXXSCBJDDI-XLIONFOSSA-N 2 2 403.958 3.966 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000591401721 1074294554 /nfs/dbraw/zinc/29/45/54/1074294554.db2.gz JGAYIXFVKNMZNZ-HXUWFJFHSA-N 2 2 422.573 3.866 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523468 1074366026 /nfs/dbraw/zinc/36/60/26/1074366026.db2.gz NNAILRCLITVCOH-OALUTQOASA-N 2 2 402.583 3.712 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000591523468 1074366028 /nfs/dbraw/zinc/36/60/28/1074366028.db2.gz NNAILRCLITVCOH-OALUTQOASA-N 2 2 402.583 3.712 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000591565753 1074413184 /nfs/dbraw/zinc/41/31/84/1074413184.db2.gz FJJPQSKNWXZAHJ-OAQYLSRUSA-N 2 2 422.617 3.874 20 0 HHADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000591565753 1074413191 /nfs/dbraw/zinc/41/31/91/1074413191.db2.gz FJJPQSKNWXZAHJ-OAQYLSRUSA-N 2 2 422.617 3.874 20 0 HHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3cnn4ccccc34)CC2)c1 ZINC000591692765 1074492762 /nfs/dbraw/zinc/49/27/62/1074492762.db2.gz YZHUCMJFOXPISA-UHFFFAOYSA-N 2 2 417.479 3.655 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573533782 1074520963 /nfs/dbraw/zinc/52/09/63/1074520963.db2.gz UBBIEFXMOQIFDW-QFIPXVFZSA-N 2 2 417.557 3.974 20 0 HHADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573533782 1074520972 /nfs/dbraw/zinc/52/09/72/1074520972.db2.gz UBBIEFXMOQIFDW-QFIPXVFZSA-N 2 2 417.557 3.974 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292603 1075189464 /nfs/dbraw/zinc/18/94/64/1075189464.db2.gz JAIFQHQSKSYPRM-GCJKJVERSA-N 2 2 406.530 3.729 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292603 1075189467 /nfs/dbraw/zinc/18/94/67/1075189467.db2.gz JAIFQHQSKSYPRM-GCJKJVERSA-N 2 2 406.530 3.729 20 0 HHADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594292009 1075278622 /nfs/dbraw/zinc/27/86/22/1075278622.db2.gz ZVJPFAIQJGOSII-PXNSSMCTSA-N 2 2 422.976 3.886 20 0 HHADLP CSc1ccc([C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000574789228 1075379075 /nfs/dbraw/zinc/37/90/75/1075379075.db2.gz KUWBWNRBHDRIOP-QFIPXVFZSA-N 2 2 408.571 3.615 20 0 HHADLP CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000575028183 1075445971 /nfs/dbraw/zinc/44/59/71/1075445971.db2.gz VXJWAFWZGCIKSV-HNNXBMFYSA-N 2 2 408.340 3.970 20 0 HHADLP CCCOc1c(Br)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000575028183 1075445972 /nfs/dbraw/zinc/44/59/72/1075445972.db2.gz VXJWAFWZGCIKSV-HNNXBMFYSA-N 2 2 408.340 3.970 20 0 HHADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000601477521 1075620025 /nfs/dbraw/zinc/62/00/25/1075620025.db2.gz HSZKYQRUKUGJTH-FDDCHVKYSA-N 2 2 409.574 3.579 20 0 HHADLP COc1ccc2cc([C@H](C)C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000601477521 1075620028 /nfs/dbraw/zinc/62/00/28/1075620028.db2.gz HSZKYQRUKUGJTH-FDDCHVKYSA-N 2 2 409.574 3.579 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)C2)CC1 ZINC000669604097 1075636446 /nfs/dbraw/zinc/63/64/46/1075636446.db2.gz MJBNGWHYTMITCC-AWEZNQCLSA-N 2 2 421.372 3.887 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)C2)CC1 ZINC000669604097 1075636447 /nfs/dbraw/zinc/63/64/47/1075636447.db2.gz MJBNGWHYTMITCC-AWEZNQCLSA-N 2 2 421.372 3.887 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000602202310 1075712556 /nfs/dbraw/zinc/71/25/56/1075712556.db2.gz XUDNKCLZFHAFIZ-QZTJIDSGSA-N 2 2 403.636 3.797 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000602202310 1075712559 /nfs/dbraw/zinc/71/25/59/1075712559.db2.gz XUDNKCLZFHAFIZ-QZTJIDSGSA-N 2 2 403.636 3.797 20 0 HHADLP CCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000038810573 558665200 /nfs/dbraw/zinc/66/52/00/558665200.db2.gz WVWDZFFKCHZJFX-UHFFFAOYSA-N 2 2 417.145 3.987 20 0 HHADLP CCCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC001164711310 720128348 /nfs/dbraw/zinc/12/83/48/720128348.db2.gz HDRSXLUCRSBORO-QFIPXVFZSA-N 2 2 409.578 3.640 20 0 HHADLP CCCc1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC001164711310 720128358 /nfs/dbraw/zinc/12/83/58/720128358.db2.gz HDRSXLUCRSBORO-QFIPXVFZSA-N 2 2 409.578 3.640 20 0 HHADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164712476 720146771 /nfs/dbraw/zinc/14/67/71/720146771.db2.gz MNBHHZNRYGBWEA-NRFANRHFSA-N 2 2 423.605 3.985 20 0 HHADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C(C)(C)C)n1)CC2 ZINC001164712476 720146795 /nfs/dbraw/zinc/14/67/95/720146795.db2.gz MNBHHZNRYGBWEA-NRFANRHFSA-N 2 2 423.605 3.985 20 0 HHADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001164827772 720310161 /nfs/dbraw/zinc/31/01/61/720310161.db2.gz XXKSGNRJZNUZFN-LEWJYISDSA-N 2 2 412.965 3.800 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164725513 720317732 /nfs/dbraw/zinc/31/77/32/720317732.db2.gz WKWAMUQUZWHGPG-UNMCSNQZSA-N 2 2 424.593 3.646 20 0 HHADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1 ZINC001164725513 720317735 /nfs/dbraw/zinc/31/77/35/720317735.db2.gz WKWAMUQUZWHGPG-UNMCSNQZSA-N 2 2 424.593 3.646 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164839372 720580295 /nfs/dbraw/zinc/58/02/95/720580295.db2.gz NJXJRGLPCXZDNU-TXTKFYIRSA-N 2 2 405.546 3.818 20 0 HHADLP COc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164839372 720580302 /nfs/dbraw/zinc/58/03/02/720580302.db2.gz NJXJRGLPCXZDNU-TXTKFYIRSA-N 2 2 405.546 3.818 20 0 HHADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164786776 721452231 /nfs/dbraw/zinc/45/22/31/721452231.db2.gz NLUKEQIIBHSEHN-QFIPXVFZSA-N 2 2 409.574 3.969 20 0 HHADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164786776 721452233 /nfs/dbraw/zinc/45/22/33/721452233.db2.gz NLUKEQIIBHSEHN-QFIPXVFZSA-N 2 2 409.574 3.969 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164809937 721538970 /nfs/dbraw/zinc/53/89/70/721538970.db2.gz VVVCOFZNSOLQNA-VABKMULXSA-N 2 2 404.514 3.507 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164809937 721538973 /nfs/dbraw/zinc/53/89/73/721538973.db2.gz VVVCOFZNSOLQNA-VABKMULXSA-N 2 2 404.514 3.507 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001165027026 721823022 /nfs/dbraw/zinc/82/30/22/721823022.db2.gz QXUVQMLGRVUJPY-KSEOMHKRSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001165027026 721823023 /nfs/dbraw/zinc/82/30/23/721823023.db2.gz QXUVQMLGRVUJPY-KSEOMHKRSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC001165027026 721823024 /nfs/dbraw/zinc/82/30/24/721823024.db2.gz QXUVQMLGRVUJPY-KSEOMHKRSA-N 2 2 406.578 3.599 20 0 HHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@H]21 ZINC001165027026 721823025 /nfs/dbraw/zinc/82/30/25/721823025.db2.gz QXUVQMLGRVUJPY-KSEOMHKRSA-N 2 2 406.578 3.599 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301221006 970816656 /nfs/dbraw/zinc/81/66/56/970816656.db2.gz AFHNHIILUCUJAV-VIZSFHNOSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301221006 970816666 /nfs/dbraw/zinc/81/66/66/970816666.db2.gz AFHNHIILUCUJAV-VIZSFHNOSA-N 2 2 423.605 3.775 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301239119 970826550 /nfs/dbraw/zinc/82/65/50/970826550.db2.gz LTIIOXGANQBPJF-UXHICEINSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301239119 970826559 /nfs/dbraw/zinc/82/65/59/970826559.db2.gz LTIIOXGANQBPJF-UXHICEINSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301239119 970826570 /nfs/dbraw/zinc/82/65/70/970826570.db2.gz LTIIOXGANQBPJF-UXHICEINSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301239119 970826578 /nfs/dbraw/zinc/82/65/78/970826578.db2.gz LTIIOXGANQBPJF-UXHICEINSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262094 970840819 /nfs/dbraw/zinc/84/08/19/970840819.db2.gz SOZSHEMXOLABHY-DENIHFKCSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)cc2)C1 ZINC000301262094 970840832 /nfs/dbraw/zinc/84/08/32/970840832.db2.gz SOZSHEMXOLABHY-DENIHFKCSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262094 970840841 /nfs/dbraw/zinc/84/08/41/970840841.db2.gz SOZSHEMXOLABHY-DENIHFKCSA-N 2 2 409.578 3.529 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)cc2)C1 ZINC000301262094 970840849 /nfs/dbraw/zinc/84/08/49/970840849.db2.gz SOZSHEMXOLABHY-DENIHFKCSA-N 2 2 409.578 3.529 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)CC1 ZINC000301391328 970904723 /nfs/dbraw/zinc/90/47/23/970904723.db2.gz AVRFVDUVCZOWLW-UHFFFAOYSA-N 2 2 420.483 3.528 20 0 HHADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000301468721 970944867 /nfs/dbraw/zinc/94/48/67/970944867.db2.gz ROTGMTQDOZBPOX-GOSISDBHSA-N 2 2 405.571 3.870 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH+]1 ZINC000301970045 971137208 /nfs/dbraw/zinc/13/72/08/971137208.db2.gz CTHUAZYGCYCCDU-GOSISDBHSA-N 2 2 417.542 3.518 20 0 HHADLP Nc1nc(-n2cccn2)cc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH+]1 ZINC000301970045 971137212 /nfs/dbraw/zinc/13/72/12/971137212.db2.gz CTHUAZYGCYCCDU-GOSISDBHSA-N 2 2 417.542 3.518 20 0 HHADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132058 1013064225 /nfs/dbraw/zinc/06/42/25/1013064225.db2.gz HLQTZDKPHWCJOT-IBGZPJMESA-N 2 2 423.561 3.529 20 0 HHADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000303204167 971558372 /nfs/dbraw/zinc/55/83/72/971558372.db2.gz PBODSIFSCWDSGF-UHFFFAOYSA-N 2 2 410.587 3.775 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447134 971742664 /nfs/dbraw/zinc/74/26/64/971742664.db2.gz ITMGROYHXSZURA-CPJSRVTESA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCCC2)cc1 ZINC000303447134 971742668 /nfs/dbraw/zinc/74/26/68/971742668.db2.gz ITMGROYHXSZURA-CPJSRVTESA-N 2 2 421.585 3.785 20 0 HHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000303516059 971816424 /nfs/dbraw/zinc/81/64/24/971816424.db2.gz XXPUSXURRHWZHT-UHFFFAOYSA-N 2 2 406.452 3.730 20 0 HHADLP COc1ccccc1-c1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000537617880 1013160696 /nfs/dbraw/zinc/16/06/96/1013160696.db2.gz GKZMCAMLBFRDMX-UHFFFAOYSA-N 2 2 403.530 3.540 20 0 HHADLP O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303843189 972380612 /nfs/dbraw/zinc/38/06/12/972380612.db2.gz BYZIAZFYAAYHTK-UHFFFAOYSA-N 2 2 411.546 3.885 20 0 HHADLP O=C(C[N@@H+](Cc1ccoc1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303843189 972380615 /nfs/dbraw/zinc/38/06/15/972380615.db2.gz BYZIAZFYAAYHTK-UHFFFAOYSA-N 2 2 411.546 3.885 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542327378 1013282514 /nfs/dbraw/zinc/28/25/14/1013282514.db2.gz DYAMQWAPWCCPNP-FQEVSTJZSA-N 2 2 421.589 3.669 20 0 HHADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000542477601 1013425507 /nfs/dbraw/zinc/42/55/07/1013425507.db2.gz GAJBGRQHWWJDGA-VWLOTQADSA-N 2 2 404.533 3.847 20 0 HHADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000542477601 1013425519 /nfs/dbraw/zinc/42/55/19/1013425519.db2.gz GAJBGRQHWWJDGA-VWLOTQADSA-N 2 2 404.533 3.847 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cn2)CC1 ZINC000542480774 1013428814 /nfs/dbraw/zinc/42/88/14/1013428814.db2.gz CJZPFVHLVWWIDL-DEOSSOPVSA-N 2 2 405.521 3.637 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)sc2c1 ZINC000542532509 1013475946 /nfs/dbraw/zinc/47/59/46/1013475946.db2.gz IZMQRPLEBZXRRA-HZPDHXFCSA-N 2 2 416.591 3.876 20 0 HHADLP CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)sc2c1 ZINC000542532509 1013475951 /nfs/dbraw/zinc/47/59/51/1013475951.db2.gz IZMQRPLEBZXRRA-HZPDHXFCSA-N 2 2 416.591 3.876 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050254802 964296488 /nfs/dbraw/zinc/29/64/88/964296488.db2.gz LTAJRUNMGULLDH-UHFFFAOYSA-N 2 2 401.407 3.838 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000051241138 964503967 /nfs/dbraw/zinc/50/39/67/964503967.db2.gz MUJQAXIDDAQRSU-OAHLLOKOSA-N 2 2 412.500 3.624 20 0 HHADLP CCc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759359 964690093 /nfs/dbraw/zinc/69/00/93/964690093.db2.gz YXUUDZZCOPVBTD-QHCPKHFHSA-N 2 2 400.611 3.804 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[NH+]2CCCC2)o1 ZINC000542604814 1013540532 /nfs/dbraw/zinc/54/05/32/1013540532.db2.gz DSLMRMSBQIJJOT-OAQYLSRUSA-N 2 2 419.529 3.865 20 0 HHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000537962537 1013541608 /nfs/dbraw/zinc/54/16/08/1013541608.db2.gz CDHDQXLNYXMOAQ-GBESFXJTSA-N 2 2 411.359 3.933 20 0 HHADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)s1 ZINC000537976413 1013553105 /nfs/dbraw/zinc/55/31/05/1013553105.db2.gz WRTJXQJZBKMKCS-CVEARBPZSA-N 2 2 421.998 3.738 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054433868 965515322 /nfs/dbraw/zinc/51/53/22/965515322.db2.gz MEQJBWCTPAUHSK-AQNXPRMDSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054433868 965515330 /nfs/dbraw/zinc/51/53/30/965515330.db2.gz MEQJBWCTPAUHSK-AQNXPRMDSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054433868 965515337 /nfs/dbraw/zinc/51/53/37/965515337.db2.gz MEQJBWCTPAUHSK-AQNXPRMDSA-N 2 2 416.610 3.928 20 0 HHADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054433868 965515349 /nfs/dbraw/zinc/51/53/49/965515349.db2.gz MEQJBWCTPAUHSK-AQNXPRMDSA-N 2 2 416.610 3.928 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000061040272 966357832 /nfs/dbraw/zinc/35/78/32/966357832.db2.gz BFDQONASOPJSIF-XMMPIXPASA-N 2 2 413.606 3.570 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1CC1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000061040272 966357843 /nfs/dbraw/zinc/35/78/43/966357843.db2.gz BFDQONASOPJSIF-XMMPIXPASA-N 2 2 413.606 3.570 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000061283829 966418297 /nfs/dbraw/zinc/41/82/97/966418297.db2.gz SZDOMZBBCNOMCD-VGSWGCGISA-N 2 2 414.981 3.689 20 0 HHADLP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000061283829 966418303 /nfs/dbraw/zinc/41/83/03/966418303.db2.gz SZDOMZBBCNOMCD-VGSWGCGISA-N 2 2 414.981 3.689 20 0 HHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788955 966553253 /nfs/dbraw/zinc/55/32/53/966553253.db2.gz BIMSZVOTCDFZLT-LJQANCHMSA-N 2 2 401.580 3.668 20 0 HHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000042201753 966743133 /nfs/dbraw/zinc/74/31/33/966743133.db2.gz ZABPOGQXMWAKRW-UHFFFAOYSA-N 2 2 407.537 3.826 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000043547110 966997103 /nfs/dbraw/zinc/99/71/03/966997103.db2.gz RXBJHPFEHNEQBH-IEBWSBKVSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000043547110 966997106 /nfs/dbraw/zinc/99/71/06/966997106.db2.gz RXBJHPFEHNEQBH-IEBWSBKVSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000043547110 966997109 /nfs/dbraw/zinc/99/71/09/966997109.db2.gz RXBJHPFEHNEQBH-IEBWSBKVSA-N 2 2 413.591 3.771 20 0 HHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000043547110 966997111 /nfs/dbraw/zinc/99/71/11/966997111.db2.gz RXBJHPFEHNEQBH-IEBWSBKVSA-N 2 2 413.591 3.771 20 0 HHADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000064244620 967104139 /nfs/dbraw/zinc/10/41/39/967104139.db2.gz KRAPXKIPALABMW-UHFFFAOYSA-N 2 2 416.591 3.822 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848223 1013707366 /nfs/dbraw/zinc/70/73/66/1013707366.db2.gz KHWUZCNVONORNM-CYFREDJKSA-N 2 2 419.573 3.692 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nnn1-c1ccc(C)cc1 ZINC000542848223 1013707371 /nfs/dbraw/zinc/70/73/71/1013707371.db2.gz KHWUZCNVONORNM-CYFREDJKSA-N 2 2 419.573 3.692 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191886 967376470 /nfs/dbraw/zinc/37/64/70/967376470.db2.gz HTOXVNLHNYFRNS-UHFFFAOYSA-N 2 2 403.530 3.527 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000046309559 967735052 /nfs/dbraw/zinc/73/50/52/967735052.db2.gz RTUBQUSHMYKZJM-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP CC[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000046309559 967735061 /nfs/dbraw/zinc/73/50/61/967735061.db2.gz RTUBQUSHMYKZJM-XMMPIXPASA-N 2 2 417.557 3.568 20 0 HHADLP CCCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000538201232 1013756465 /nfs/dbraw/zinc/75/64/65/1013756465.db2.gz KMYVLEISUXWTAN-JOCHJYFZSA-N 2 2 410.562 3.650 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000046926420 968011179 /nfs/dbraw/zinc/01/11/79/968011179.db2.gz OBWNSPZQONSHJO-KDURUIRLSA-N 2 2 410.562 3.679 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000046926420 968011195 /nfs/dbraw/zinc/01/11/95/968011195.db2.gz OBWNSPZQONSHJO-KDURUIRLSA-N 2 2 410.562 3.679 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000538237308 1013786337 /nfs/dbraw/zinc/78/63/37/1013786337.db2.gz NFPBOJCWXTUKGY-NRFANRHFSA-N 2 2 414.553 3.744 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048216895 968488015 /nfs/dbraw/zinc/48/80/15/968488015.db2.gz ZAIKODWVJMUEOH-UHFFFAOYSA-N 2 2 407.562 3.536 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097360658 969128278 /nfs/dbraw/zinc/12/82/78/969128278.db2.gz UZWUYGVCGJIMQF-HSZRJFAPSA-N 2 2 403.530 3.568 20 0 HHADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554240731 1013868924 /nfs/dbraw/zinc/86/89/24/1013868924.db2.gz ZMIGLTIXIZLHPF-IBGZPJMESA-N 2 2 401.942 3.509 20 0 HHADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109681183 969548293 /nfs/dbraw/zinc/54/82/93/969548293.db2.gz XPIXUNPKDSBMST-HSZRJFAPSA-N 2 2 408.590 3.693 20 0 HHADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109681183 969548300 /nfs/dbraw/zinc/54/83/00/969548300.db2.gz XPIXUNPKDSBMST-HSZRJFAPSA-N 2 2 408.590 3.693 20 0 HHADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110728308 969714648 /nfs/dbraw/zinc/71/46/48/969714648.db2.gz IUPQFPVGQVTDKE-KSZLIROESA-N 2 2 405.608 3.557 20 0 HHADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110728308 969714654 /nfs/dbraw/zinc/71/46/54/969714654.db2.gz IUPQFPVGQVTDKE-KSZLIROESA-N 2 2 405.608 3.557 20 0 HHADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000554364142 1013922552 /nfs/dbraw/zinc/92/25/52/1013922552.db2.gz RVMBLFQMDRCKSD-AEFFLSMTSA-N 2 2 405.892 3.552 20 0 HHADLP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccn1 ZINC000117403748 969950526 /nfs/dbraw/zinc/95/05/26/969950526.db2.gz KCCCRRMDDIJVRF-QFIPXVFZSA-N 2 2 414.981 3.899 20 0 HHADLP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccccn1 ZINC000117403748 969950533 /nfs/dbraw/zinc/95/05/33/969950533.db2.gz KCCCRRMDDIJVRF-QFIPXVFZSA-N 2 2 414.981 3.899 20 0 HHADLP Cc1nc(-c2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)oc1C ZINC000141286833 970107724 /nfs/dbraw/zinc/10/77/24/970107724.db2.gz GGZUVPZRFJKUAR-UHFFFAOYSA-N 2 2 411.550 3.639 20 0 HHADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000554440534 1013950388 /nfs/dbraw/zinc/95/03/88/1013950388.db2.gz RTILIRBLSMVKKF-HXUWFJFHSA-N 2 2 402.583 3.810 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000554444321 1013951778 /nfs/dbraw/zinc/95/17/78/1013951778.db2.gz GDTZPLBOMZRMHO-SFYKDHMMSA-N 2 2 410.562 3.893 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000236912268 970188077 /nfs/dbraw/zinc/18/80/77/970188077.db2.gz CKLNGYUBYGMYRP-VXKWHMMOSA-N 2 2 423.557 3.819 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000236912268 970188080 /nfs/dbraw/zinc/18/80/80/970188080.db2.gz CKLNGYUBYGMYRP-VXKWHMMOSA-N 2 2 423.557 3.819 20 0 HHADLP O=C(CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000237666475 970334105 /nfs/dbraw/zinc/33/41/05/970334105.db2.gz WIRRMUWVDWEOOS-UHFFFAOYSA-N 2 2 424.932 3.824 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3csc(-c4ccccc4)n3)c2)C1 ZINC000237940990 970401061 /nfs/dbraw/zinc/40/10/61/970401061.db2.gz WSROGYHGHUZJEL-NRFANRHFSA-N 2 2 420.582 3.797 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3csc(-c4ccccc4)n3)c2)C1 ZINC000237940990 970401068 /nfs/dbraw/zinc/40/10/68/970401068.db2.gz WSROGYHGHUZJEL-NRFANRHFSA-N 2 2 420.582 3.797 20 0 HHADLP O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000238045138 970425769 /nfs/dbraw/zinc/42/57/69/970425769.db2.gz GMFCUCNJOXAYHQ-UHFFFAOYSA-N 2 2 412.497 3.879 20 0 HHADLP O=c1[nH]c2ccccc2cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000238163281 970453690 /nfs/dbraw/zinc/45/36/90/970453690.db2.gz SMLHESVXRGVSNR-UHFFFAOYSA-N 2 2 404.558 3.628 20 0 HHADLP COc1cc2cc[nH+]c(N3CCN(c4ccccc4OCC[NH+](C)C)CC3)c2cc1F ZINC000554678866 1014009785 /nfs/dbraw/zinc/00/97/85/1014009785.db2.gz GEGGPCZINODKFJ-UHFFFAOYSA-N 2 2 424.520 3.650 20 0 HHADLP Brc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000386035358 972798468 /nfs/dbraw/zinc/79/84/68/972798468.db2.gz YYPSSFBMGHWFRC-MRXNPFEDSA-N 2 2 403.320 3.790 20 0 HHADLP Brc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000386035358 972798477 /nfs/dbraw/zinc/79/84/77/972798477.db2.gz YYPSSFBMGHWFRC-MRXNPFEDSA-N 2 2 403.320 3.790 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390666141 972826964 /nfs/dbraw/zinc/82/69/64/972826964.db2.gz MVQQJLQZJAMJDO-FDFHNCONSA-N 2 2 417.594 3.561 20 0 HHADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390666141 972826978 /nfs/dbraw/zinc/82/69/78/972826978.db2.gz MVQQJLQZJAMJDO-FDFHNCONSA-N 2 2 417.594 3.561 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660675 972827081 /nfs/dbraw/zinc/82/70/81/972827081.db2.gz LRFUZPMCOUNQOD-VXKWHMMOSA-N 2 2 417.594 3.657 20 0 HHADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390660675 972827090 /nfs/dbraw/zinc/82/70/90/972827090.db2.gz LRFUZPMCOUNQOD-VXKWHMMOSA-N 2 2 417.594 3.657 20 0 HHADLP C[N@H+](Cc1ccccc1OCC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930669 974041641 /nfs/dbraw/zinc/04/16/41/974041641.db2.gz YBSLBGUNRPSJNL-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425930669 974041652 /nfs/dbraw/zinc/04/16/52/974041652.db2.gz YBSLBGUNRPSJNL-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425930669 974041670 /nfs/dbraw/zinc/04/16/70/974041670.db2.gz YBSLBGUNRPSJNL-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425930669 974041680 /nfs/dbraw/zinc/04/16/80/974041680.db2.gz YBSLBGUNRPSJNL-NRFANRHFSA-N 2 2 408.464 3.697 20 0 HHADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426012223 974130526 /nfs/dbraw/zinc/13/05/26/974130526.db2.gz CGHFYUATANJIIN-BVYCBKJFSA-N 2 2 409.578 3.921 20 0 HHADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426012223 974130533 /nfs/dbraw/zinc/13/05/33/974130533.db2.gz CGHFYUATANJIIN-BVYCBKJFSA-N 2 2 409.578 3.921 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccccc1 ZINC000426234415 974330885 /nfs/dbraw/zinc/33/08/85/974330885.db2.gz BBTLNADGYWIUHV-YTFSRNRJSA-N 2 2 403.530 3.714 20 0 HHADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426249612 974343791 /nfs/dbraw/zinc/34/37/91/974343791.db2.gz QOFFHPSVPGBEBM-YFNKSVMNSA-N 2 2 415.541 3.685 20 0 HHADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426249612 974343799 /nfs/dbraw/zinc/34/37/99/974343799.db2.gz QOFFHPSVPGBEBM-YFNKSVMNSA-N 2 2 415.541 3.685 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+]([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)C[C@@H](C)O1 ZINC000426770005 974647324 /nfs/dbraw/zinc/64/73/24/974647324.db2.gz NWKZKZOMWNSXMV-HMFYCAOWSA-N 2 2 419.997 3.657 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ncc(Br)cc1F ZINC000427849663 975320251 /nfs/dbraw/zinc/32/02/51/975320251.db2.gz OASDBQMNFHUSBD-KBXCAEBGSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ncc(Br)cc1F ZINC000427849663 975320259 /nfs/dbraw/zinc/32/02/59/975320259.db2.gz OASDBQMNFHUSBD-KBXCAEBGSA-N 2 2 422.342 3.791 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000428302086 975612146 /nfs/dbraw/zinc/61/21/46/975612146.db2.gz FBOROCPZAPHMIK-REWPJTCUSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000428302086 975612172 /nfs/dbraw/zinc/61/21/72/975612172.db2.gz FBOROCPZAPHMIK-REWPJTCUSA-N 2 2 421.589 3.924 20 0 HHADLP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428375989 975698384 /nfs/dbraw/zinc/69/83/84/975698384.db2.gz RSHAGEOVOAJZEQ-KRWDZBQOSA-N 2 2 416.591 3.582 20 0 HHADLP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428375989 975698395 /nfs/dbraw/zinc/69/83/95/975698395.db2.gz RSHAGEOVOAJZEQ-KRWDZBQOSA-N 2 2 416.591 3.582 20 0 HHADLP C[N@H+](Cc1ccccc1OCc1ccccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428430847 975744729 /nfs/dbraw/zinc/74/47/29/975744729.db2.gz JOBYHUAJRYPBHT-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428430847 975744742 /nfs/dbraw/zinc/74/47/42/975744742.db2.gz JOBYHUAJRYPBHT-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428430847 975744754 /nfs/dbraw/zinc/74/47/54/975744754.db2.gz JOBYHUAJRYPBHT-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428430847 975744763 /nfs/dbraw/zinc/74/47/63/975744763.db2.gz JOBYHUAJRYPBHT-SANMLTNESA-N 2 2 417.553 3.729 20 0 HHADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(Br)cc1 ZINC000428529501 975822740 /nfs/dbraw/zinc/82/27/40/975822740.db2.gz AVBJGXIXCYNDRZ-GOSISDBHSA-N 2 2 400.320 3.576 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(Br)c1 ZINC000428544110 975848020 /nfs/dbraw/zinc/84/80/20/975848020.db2.gz TWFQBWSMQYIDPQ-HNNXBMFYSA-N 2 2 406.349 3.637 20 0 HHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000428547730 975856088 /nfs/dbraw/zinc/85/60/88/975856088.db2.gz YYLPCNMNJNPTBH-JWQCQUIFSA-N 2 2 410.558 3.625 20 0 HHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000428547730 975856094 /nfs/dbraw/zinc/85/60/94/975856094.db2.gz YYLPCNMNJNPTBH-JWQCQUIFSA-N 2 2 410.558 3.625 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2cccs2)CC1 ZINC000428681012 975972662 /nfs/dbraw/zinc/97/26/62/975972662.db2.gz BBSHMFHHKDBKEX-LJQANCHMSA-N 2 2 415.607 3.896 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000429224397 976517238 /nfs/dbraw/zinc/51/72/38/976517238.db2.gz BQAWRTVTENGLDD-LJQANCHMSA-N 2 2 423.517 3.721 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000429224397 976517249 /nfs/dbraw/zinc/51/72/49/976517249.db2.gz BQAWRTVTENGLDD-LJQANCHMSA-N 2 2 423.517 3.721 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000429229993 976521819 /nfs/dbraw/zinc/52/18/19/976521819.db2.gz VGJVFOASMVVKGA-UHFFFAOYSA-N 2 2 408.340 3.891 20 0 HHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000429229993 976521829 /nfs/dbraw/zinc/52/18/29/976521829.db2.gz VGJVFOASMVVKGA-UHFFFAOYSA-N 2 2 408.340 3.891 20 0 HHADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429422718 976700582 /nfs/dbraw/zinc/70/05/82/976700582.db2.gz HYGYVSDEVFLFNH-DHIUTWEWSA-N 2 2 412.574 3.906 20 0 HHADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429422718 976700592 /nfs/dbraw/zinc/70/05/92/976700592.db2.gz HYGYVSDEVFLFNH-DHIUTWEWSA-N 2 2 412.574 3.906 20 0 HHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426161 976704156 /nfs/dbraw/zinc/70/41/56/976704156.db2.gz MZFWMIBZFIDXRP-REWPJTCUSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000429426161 976704161 /nfs/dbraw/zinc/70/41/61/976704161.db2.gz MZFWMIBZFIDXRP-REWPJTCUSA-N 2 2 409.574 3.901 20 0 HHADLP Cc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000430176399 977371419 /nfs/dbraw/zinc/37/14/19/977371419.db2.gz JYRFASRFLKSHQB-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP Cc1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000430176399 977371424 /nfs/dbraw/zinc/37/14/24/977371424.db2.gz JYRFASRFLKSHQB-UHFFFAOYSA-N 2 2 408.590 3.829 20 0 HHADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430679576 977689590 /nfs/dbraw/zinc/68/95/90/977689590.db2.gz VQKZZKCTMWGCKP-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430679576 977689594 /nfs/dbraw/zinc/68/95/94/977689594.db2.gz VQKZZKCTMWGCKP-FQEVSTJZSA-N 2 2 403.958 3.623 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430679578 977689803 /nfs/dbraw/zinc/68/98/03/977689803.db2.gz VQKZZKCTMWGCKP-HXUWFJFHSA-N 2 2 403.958 3.623 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430679578 977689805 /nfs/dbraw/zinc/68/98/05/977689805.db2.gz VQKZZKCTMWGCKP-HXUWFJFHSA-N 2 2 403.958 3.623 20 0 HHADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430932463 977897213 /nfs/dbraw/zinc/89/72/13/977897213.db2.gz YWDGJLVEESLSFA-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430932463 977897225 /nfs/dbraw/zinc/89/72/25/977897225.db2.gz YWDGJLVEESLSFA-OAQYLSRUSA-N 3 2 414.638 3.759 20 0 HHADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000431196980 978088133 /nfs/dbraw/zinc/08/81/33/978088133.db2.gz IETHGQCDFLPCAE-UHFFFAOYSA-N 2 2 413.566 3.842 20 0 HHADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431858365 978555547 /nfs/dbraw/zinc/55/55/47/978555547.db2.gz CSCXVTMCXLZYAE-XMMPIXPASA-N 2 2 416.569 3.845 20 0 HHADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431858365 978555552 /nfs/dbraw/zinc/55/55/52/978555552.db2.gz CSCXVTMCXLZYAE-XMMPIXPASA-N 2 2 416.569 3.845 20 0 HHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431874692 978568331 /nfs/dbraw/zinc/56/83/31/978568331.db2.gz FLRHHBXNIBTHPM-FCHUYYIVSA-N 2 2 411.594 3.674 20 0 HHADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432950695 979020605 /nfs/dbraw/zinc/02/06/05/979020605.db2.gz TXPVUOBRWNZSHY-UHFFFAOYSA-N 2 2 421.589 3.773 20 0 HHADLP C[NH+](C)[C@@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000433770819 979562244 /nfs/dbraw/zinc/56/22/44/979562244.db2.gz JPBWKDWSWNETPR-ROUUACIJSA-N 2 2 423.483 3.561 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915482 979677094 /nfs/dbraw/zinc/67/70/94/979677094.db2.gz QDZYOHJPABPPGO-PBEJRMEISA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915482 979677100 /nfs/dbraw/zinc/67/71/00/979677100.db2.gz QDZYOHJPABPPGO-PBEJRMEISA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915482 979677108 /nfs/dbraw/zinc/67/71/08/979677108.db2.gz QDZYOHJPABPPGO-PBEJRMEISA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000433915482 979677114 /nfs/dbraw/zinc/67/71/14/979677114.db2.gz QDZYOHJPABPPGO-PBEJRMEISA-N 2 2 424.511 3.555 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000433944606 979704285 /nfs/dbraw/zinc/70/42/85/979704285.db2.gz WYSQQFYVVPYIHL-NRFANRHFSA-N 2 2 401.599 3.619 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1)c1ccccc1 ZINC000434187784 979953366 /nfs/dbraw/zinc/95/33/66/979953366.db2.gz CYZNKTVXBXTFDG-DENIHFKCSA-N 2 2 408.546 3.908 20 0 HHADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434395308 980139712 /nfs/dbraw/zinc/13/97/12/980139712.db2.gz MQURJBNNBVZLCS-UHFFFAOYSA-N 2 2 413.610 3.906 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H]1CCCc2ccccc21 ZINC000434682277 980336321 /nfs/dbraw/zinc/33/63/21/980336321.db2.gz VOVROBRQKRWILK-HSZRJFAPSA-N 2 2 406.574 3.935 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000434992001 980554260 /nfs/dbraw/zinc/55/42/60/980554260.db2.gz PWSUHVTYFPJBIE-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000434992001 980554265 /nfs/dbraw/zinc/55/42/65/980554265.db2.gz PWSUHVTYFPJBIE-UHFFFAOYSA-N 2 2 404.558 3.736 20 0 HHADLP Cc1nc2cc(Cl)c(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000435189172 980708207 /nfs/dbraw/zinc/70/82/07/980708207.db2.gz SGSWIBQFFFFQRF-UHFFFAOYSA-N 2 2 421.998 3.938 20 0 HHADLP O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435376718 980826085 /nfs/dbraw/zinc/82/60/85/980826085.db2.gz UAMCNTSVZOJBNY-QFIPXVFZSA-N 2 2 412.497 3.768 20 0 HHADLP O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000435376718 980826091 /nfs/dbraw/zinc/82/60/91/980826091.db2.gz UAMCNTSVZOJBNY-QFIPXVFZSA-N 2 2 412.497 3.768 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000435576534 980947821 /nfs/dbraw/zinc/94/78/21/980947821.db2.gz BLWMBNWJGYUMNU-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000435576534 980947826 /nfs/dbraw/zinc/94/78/26/980947826.db2.gz BLWMBNWJGYUMNU-RTBURBONSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)C2CCCC2)C[C@H](C)O1 ZINC000436018825 981159247 /nfs/dbraw/zinc/15/92/47/981159247.db2.gz LOKNUFLQUCOHGU-OALUTQOASA-N 2 2 402.583 3.634 20 0 HHADLP c1cc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000436276206 981281146 /nfs/dbraw/zinc/28/11/46/981281146.db2.gz RJDVVHFHBVBRID-UHFFFAOYSA-N 2 2 409.603 3.826 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380674 981337899 /nfs/dbraw/zinc/33/78/99/981337899.db2.gz ZRVBSFXDLNHHIK-LEWJYISDSA-N 2 2 422.573 3.518 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)CC1 ZINC000436380674 981337906 /nfs/dbraw/zinc/33/79/06/981337906.db2.gz ZRVBSFXDLNHHIK-LEWJYISDSA-N 2 2 422.573 3.518 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000437044620 981715676 /nfs/dbraw/zinc/71/56/76/981715676.db2.gz XPJNYXHSUQXEHL-NBGIEHNGSA-N 2 2 412.622 3.806 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000437059483 981730665 /nfs/dbraw/zinc/73/06/65/981730665.db2.gz ZCVLLOLZXUUHQV-SQJMNOBHSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000437059483 981730669 /nfs/dbraw/zinc/73/06/69/981730669.db2.gz ZCVLLOLZXUUHQV-SQJMNOBHSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000437059472 981730926 /nfs/dbraw/zinc/73/09/26/981730926.db2.gz ZCVLLOLZXUUHQV-BWKNWUBXSA-N 2 2 420.601 3.816 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000437059472 981730933 /nfs/dbraw/zinc/73/09/33/981730933.db2.gz ZCVLLOLZXUUHQV-BWKNWUBXSA-N 2 2 420.601 3.816 20 0 HHADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)[nH+]1 ZINC000460384393 982163115 /nfs/dbraw/zinc/16/31/15/982163115.db2.gz CALRIKVAHAEOGU-AWEZNQCLSA-N 2 2 400.324 3.963 20 0 HHADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)[nH+]1 ZINC000460384393 982163121 /nfs/dbraw/zinc/16/31/21/982163121.db2.gz CALRIKVAHAEOGU-AWEZNQCLSA-N 2 2 400.324 3.963 20 0 HHADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460402089 982183866 /nfs/dbraw/zinc/18/38/66/982183866.db2.gz NVVUFNGLUUUNHV-HDICACEKSA-N 2 2 418.548 3.699 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437643923 982262875 /nfs/dbraw/zinc/26/28/75/982262875.db2.gz DHIXHPVGPGGSEE-JOCHJYFZSA-N 2 2 409.578 3.570 20 0 HHADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437643923 982262878 /nfs/dbraw/zinc/26/28/78/982262878.db2.gz DHIXHPVGPGGSEE-JOCHJYFZSA-N 2 2 409.578 3.570 20 0 HHADLP CCN(c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1)C(C)C ZINC000460501501 982290402 /nfs/dbraw/zinc/29/04/02/982290402.db2.gz FYHXMKSRRZJTIH-UHFFFAOYSA-N 2 2 400.611 3.601 20 0 HHADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460501004 982290445 /nfs/dbraw/zinc/29/04/45/982290445.db2.gz DZSBYDBWFSYBEL-QGZVFWFLSA-N 2 2 410.027 3.887 20 0 HHADLP C[NH+]1CCC(CNC(=O)CCc2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460505562 982294397 /nfs/dbraw/zinc/29/43/97/982294397.db2.gz UWLGXQCZUPEKNJ-UHFFFAOYSA-N 2 2 412.405 3.993 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000437736209 982327765 /nfs/dbraw/zinc/32/77/65/982327765.db2.gz LRPOTVZHDTXNEW-SBHAEUEKSA-N 2 2 402.583 3.634 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000437736209 982327772 /nfs/dbraw/zinc/32/77/72/982327772.db2.gz LRPOTVZHDTXNEW-SBHAEUEKSA-N 2 2 402.583 3.634 20 0 HHADLP COc1ccc(OC(C)C)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000438028851 982533428 /nfs/dbraw/zinc/53/34/28/982533428.db2.gz UHYPUSIEIFCEQA-UHFFFAOYSA-N 2 2 418.582 3.554 20 0 HHADLP C[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438335377 982730036 /nfs/dbraw/zinc/73/00/36/982730036.db2.gz PPHVDDMDDGMHOT-JOCHJYFZSA-N 2 2 421.507 3.643 20 0 HHADLP C[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438335377 982730053 /nfs/dbraw/zinc/73/00/53/982730053.db2.gz PPHVDDMDDGMHOT-JOCHJYFZSA-N 2 2 421.507 3.643 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000438378543 982754337 /nfs/dbraw/zinc/75/43/37/982754337.db2.gz YWXQRKCWKRONQB-UHFFFAOYSA-N 2 2 424.589 3.893 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000438378543 982754338 /nfs/dbraw/zinc/75/43/38/982754338.db2.gz YWXQRKCWKRONQB-UHFFFAOYSA-N 2 2 424.589 3.893 20 0 HHADLP C[C@@H](CSCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000438542800 982880933 /nfs/dbraw/zinc/88/09/33/982880933.db2.gz VSGJGMDCVCGKTA-FQEVSTJZSA-N 2 2 403.636 3.622 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)([NH+]2CCCCC2)CC1 ZINC000461295873 982995662 /nfs/dbraw/zinc/99/56/62/982995662.db2.gz RKLVDCHUDVXVBO-UHFFFAOYSA-N 2 2 408.590 3.727 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451813 983117487 /nfs/dbraw/zinc/11/74/87/983117487.db2.gz TVJLIYYADXNOPH-ZEQRLZLVSA-N 2 2 400.526 3.526 20 0 HHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451813 983117489 /nfs/dbraw/zinc/11/74/89/983117489.db2.gz TVJLIYYADXNOPH-ZEQRLZLVSA-N 2 2 400.526 3.526 20 0 HHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000439653263 983485317 /nfs/dbraw/zinc/48/53/17/983485317.db2.gz VCGLGPZUBMKOFX-KRWDZBQOSA-N 2 2 401.551 3.908 20 0 HHADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955582 983593730 /nfs/dbraw/zinc/59/37/30/983593730.db2.gz JPCBSEYRFHADRT-HLIPFELVSA-N 2 2 420.479 3.664 20 0 HHADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000439955582 983593731 /nfs/dbraw/zinc/59/37/31/983593731.db2.gz JPCBSEYRFHADRT-HLIPFELVSA-N 2 2 420.479 3.664 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000440874358 983946240 /nfs/dbraw/zinc/94/62/40/983946240.db2.gz CCRSAUKJEQFHPT-HSZRJFAPSA-N 2 2 409.578 3.947 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C)c1 ZINC000440881682 983950094 /nfs/dbraw/zinc/95/00/94/983950094.db2.gz VBWUAFLCLQWLSH-DHIUTWEWSA-N 2 2 423.536 3.982 20 0 HHADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441094294 984066110 /nfs/dbraw/zinc/06/61/10/984066110.db2.gz RZEUXHSNFPWENJ-UHFFFAOYSA-N 2 2 413.562 3.600 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258633 984143449 /nfs/dbraw/zinc/14/34/49/984143449.db2.gz SZPHRNKYRRJHFR-ZLNRFVROSA-N 2 2 405.627 3.664 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000441258633 984143450 /nfs/dbraw/zinc/14/34/50/984143450.db2.gz SZPHRNKYRRJHFR-ZLNRFVROSA-N 2 2 405.627 3.664 20 0 HHADLP COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441380272 984220282 /nfs/dbraw/zinc/22/02/82/984220282.db2.gz FPSUZYMFACPJHO-PGRDOPGGSA-N 2 2 422.529 3.875 20 0 HHADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000441384397 984223084 /nfs/dbraw/zinc/22/30/84/984223084.db2.gz XXCQYNCAJKLVFO-ICSRJNTNSA-N 2 2 422.529 3.834 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404373 984234239 /nfs/dbraw/zinc/23/42/39/984234239.db2.gz NFXGPSUNZBRASD-DENIHFKCSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404373 984234242 /nfs/dbraw/zinc/23/42/42/984234242.db2.gz NFXGPSUNZBRASD-DENIHFKCSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404373 984234244 /nfs/dbraw/zinc/23/42/44/984234244.db2.gz NFXGPSUNZBRASD-DENIHFKCSA-N 2 2 401.570 3.902 20 0 HHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441404373 984234248 /nfs/dbraw/zinc/23/42/48/984234248.db2.gz NFXGPSUNZBRASD-DENIHFKCSA-N 2 2 401.570 3.902 20 0 HHADLP CC[N@H+](C[C@@H](O)COCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616375 984357959 /nfs/dbraw/zinc/35/79/59/984357959.db2.gz BKZUSEHNWPTOFS-OAQYLSRUSA-N 2 2 417.981 3.851 20 0 HHADLP CC[N@@H+](C[C@@H](O)COCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616375 984357965 /nfs/dbraw/zinc/35/79/65/984357965.db2.gz BKZUSEHNWPTOFS-OAQYLSRUSA-N 2 2 417.981 3.851 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000442234387 984754893 /nfs/dbraw/zinc/75/48/93/984754893.db2.gz ADOAHKQJWCKASP-HSZRJFAPSA-N 2 2 409.578 3.759 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000442238259 984759174 /nfs/dbraw/zinc/75/91/74/984759174.db2.gz QSZCMERALOBEDR-QHCPKHFHSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000442238821 984759589 /nfs/dbraw/zinc/75/95/89/984759589.db2.gz BJPQDSNPUDRQQJ-GGAORHGYSA-N 2 2 409.578 3.901 20 0 HHADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000442400758 984907459 /nfs/dbraw/zinc/90/74/59/984907459.db2.gz YVFZEHAEXDATCO-LJQANCHMSA-N 2 2 408.550 3.709 20 0 HHADLP CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462196320 985178751 /nfs/dbraw/zinc/17/87/51/985178751.db2.gz PLUYGUNKOMSGOO-ISKFKSNPSA-N 2 2 412.622 3.804 20 0 HHADLP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217487 985198073 /nfs/dbraw/zinc/19/80/73/985198073.db2.gz AINRFRXGPVAZJH-MSYCTHLASA-N 2 2 403.530 3.753 20 0 HHADLP C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217487 985198078 /nfs/dbraw/zinc/19/80/78/985198078.db2.gz AINRFRXGPVAZJH-MSYCTHLASA-N 2 2 403.530 3.753 20 0 HHADLP C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000443094211 985372298 /nfs/dbraw/zinc/37/22/98/985372298.db2.gz CJIVCGRDCAHREO-KRWDZBQOSA-N 2 2 409.509 3.821 20 0 HHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443324688 985494623 /nfs/dbraw/zinc/49/46/23/985494623.db2.gz DNXDCDLYDJQHRY-MRXNPFEDSA-N 2 2 402.296 3.841 20 0 HHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443324688 985494629 /nfs/dbraw/zinc/49/46/29/985494629.db2.gz DNXDCDLYDJQHRY-MRXNPFEDSA-N 2 2 402.296 3.841 20 0 HHADLP CC[C@]1(C)Oc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2O1 ZINC000443377574 985537450 /nfs/dbraw/zinc/53/74/50/985537450.db2.gz ZGHIKBSEXLMSFZ-JOCHJYFZSA-N 2 2 416.566 3.656 20 0 HHADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000468017356 985669811 /nfs/dbraw/zinc/66/98/11/985669811.db2.gz QLLKSZRKJPASQL-NRFANRHFSA-N 2 2 422.564 3.911 20 0 HHADLP COCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750231 985691170 /nfs/dbraw/zinc/69/11/70/985691170.db2.gz NAVWQQUDDZAAPL-VXKWHMMOSA-N 2 2 422.658 3.562 20 0 HHADLP COCC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000462750231 985691174 /nfs/dbraw/zinc/69/11/74/985691174.db2.gz NAVWQQUDDZAAPL-VXKWHMMOSA-N 2 2 422.658 3.562 20 0 HHADLP CCCN(CCc1cccs1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000468213103 985905947 /nfs/dbraw/zinc/90/59/47/985905947.db2.gz STBCMAXOMNVBGO-UHFFFAOYSA-N 2 2 406.640 3.663 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021081 985978378 /nfs/dbraw/zinc/97/83/78/985978378.db2.gz OERFWADXOADTLO-NZQKXSOJSA-N 2 2 409.578 3.605 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463021081 985978383 /nfs/dbraw/zinc/97/83/83/985978383.db2.gz OERFWADXOADTLO-NZQKXSOJSA-N 2 2 409.578 3.605 20 0 HHADLP Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000468322942 986018792 /nfs/dbraw/zinc/01/87/92/986018792.db2.gz ZDYPWCCEJHAJHK-FQEVSTJZSA-N 2 2 415.626 3.864 20 0 HHADLP Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468322942 986018803 /nfs/dbraw/zinc/01/88/03/986018803.db2.gz ZDYPWCCEJHAJHK-FQEVSTJZSA-N 2 2 415.626 3.864 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000463133849 986100259 /nfs/dbraw/zinc/10/02/59/986100259.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1OC ZINC000463133849 986100266 /nfs/dbraw/zinc/10/02/66/986100266.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133849 986100273 /nfs/dbraw/zinc/10/02/73/986100273.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 2 2 411.590 3.949 20 0 HHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133849 986100277 /nfs/dbraw/zinc/10/02/77/986100277.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 2 2 411.590 3.949 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(OCC(F)(F)F)c3)CC2)cc1 ZINC000463136415 986104523 /nfs/dbraw/zinc/10/45/23/986104523.db2.gz DRKCSVAZSYUXJP-UHFFFAOYSA-N 2 2 411.443 3.959 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468411531 986110244 /nfs/dbraw/zinc/11/02/44/986110244.db2.gz ITGIQMGGVSSNQB-LEWJYISDSA-N 2 2 407.549 3.962 20 0 HHADLP CN(C(=O)Cc1cccc(C(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468411531 986110252 /nfs/dbraw/zinc/11/02/52/986110252.db2.gz ITGIQMGGVSSNQB-LEWJYISDSA-N 2 2 407.549 3.962 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000468450776 986145945 /nfs/dbraw/zinc/14/59/45/986145945.db2.gz PYGJGYDDALSNED-SZPZYZBQSA-N 2 2 420.601 3.816 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000468450776 986145947 /nfs/dbraw/zinc/14/59/47/986145947.db2.gz PYGJGYDDALSNED-SZPZYZBQSA-N 2 2 420.601 3.816 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203866 986175703 /nfs/dbraw/zinc/17/57/03/986175703.db2.gz POPKXSPBHOMAAB-JFOHGXHASA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463203866 986175707 /nfs/dbraw/zinc/17/57/07/986175707.db2.gz POPKXSPBHOMAAB-JFOHGXHASA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203866 986175711 /nfs/dbraw/zinc/17/57/11/986175711.db2.gz POPKXSPBHOMAAB-JFOHGXHASA-N 2 2 400.607 3.929 20 0 HHADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463203866 986175717 /nfs/dbraw/zinc/17/57/17/986175717.db2.gz POPKXSPBHOMAAB-JFOHGXHASA-N 2 2 400.607 3.929 20 0 HHADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1cccc(Br)c1 ZINC000463237410 986205520 /nfs/dbraw/zinc/20/55/20/986205520.db2.gz PJZNBCXRNRLZBF-HNNXBMFYSA-N 2 2 423.317 3.607 20 0 HHADLP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2)CC1 ZINC000444041918 986239129 /nfs/dbraw/zinc/23/91/29/986239129.db2.gz GQCXWNZDWIGXSZ-QFIPXVFZSA-N 2 2 409.578 3.741 20 0 HHADLP O=C(C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000463376438 986343066 /nfs/dbraw/zinc/34/30/66/986343066.db2.gz KJQMFQKLOXUWEO-UHFFFAOYSA-N 2 2 410.389 3.916 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437351 986414997 /nfs/dbraw/zinc/41/49/97/986414997.db2.gz POBXGNYBTMSCBA-FTJBHMTQSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000463437351 986414999 /nfs/dbraw/zinc/41/49/99/986414999.db2.gz POBXGNYBTMSCBA-FTJBHMTQSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437351 986415001 /nfs/dbraw/zinc/41/50/01/986415001.db2.gz POBXGNYBTMSCBA-FTJBHMTQSA-N 2 2 408.586 3.595 20 0 HHADLP OC[C@]1(Cc2ccccc2)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000463437351 986415005 /nfs/dbraw/zinc/41/50/05/986415005.db2.gz POBXGNYBTMSCBA-FTJBHMTQSA-N 2 2 408.586 3.595 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468733082 986446160 /nfs/dbraw/zinc/44/61/60/986446160.db2.gz GKLKPMVQDNJVOL-ICSRJNTNSA-N 2 2 414.516 3.613 20 0 HHADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468733082 986446169 /nfs/dbraw/zinc/44/61/69/986446169.db2.gz GKLKPMVQDNJVOL-ICSRJNTNSA-N 2 2 414.516 3.613 20 0 HHADLP O=C(CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000468762508 986476567 /nfs/dbraw/zinc/47/65/67/986476567.db2.gz ASCOUCVKUIZYIE-OAQYLSRUSA-N 2 2 412.965 3.905 20 0 HHADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000468769991 986483264 /nfs/dbraw/zinc/48/32/64/986483264.db2.gz AONVFYMMKNGNES-MOPGFXCFSA-N 2 2 410.562 3.543 20 0 HHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000468770039 986483415 /nfs/dbraw/zinc/48/34/15/986483415.db2.gz AONVFYMMKNGNES-RBUKOAKNSA-N 2 2 410.562 3.543 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cnn1C(C)(C)C ZINC000468935042 986641288 /nfs/dbraw/zinc/64/12/88/986641288.db2.gz KVQSURBQCUAYFY-SFHVURJKSA-N 2 2 400.567 3.508 20 0 HHADLP COCCC[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000463694106 986677720 /nfs/dbraw/zinc/67/77/20/986677720.db2.gz ATMYAMNDAVUREJ-UHFFFAOYSA-N 2 2 411.550 3.509 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)CC2)CC1 ZINC000469051078 986760842 /nfs/dbraw/zinc/76/08/42/986760842.db2.gz SYMLAWDRNAXCBP-UHFFFAOYSA-N 2 2 400.954 3.624 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000444596344 986784076 /nfs/dbraw/zinc/78/40/76/986784076.db2.gz WZRFMKWEYIWIGI-SFHVURJKSA-N 2 2 418.545 3.913 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469072258 986784937 /nfs/dbraw/zinc/78/49/37/986784937.db2.gz VXSXHLNVPWROBJ-CVDCTZTESA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469072258 986784945 /nfs/dbraw/zinc/78/49/45/986784945.db2.gz VXSXHLNVPWROBJ-CVDCTZTESA-N 2 2 408.546 3.819 20 0 HHADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000469111474 986828138 /nfs/dbraw/zinc/82/81/38/986828138.db2.gz ZULRXTSVJISOGR-NRFANRHFSA-N 2 2 412.578 3.965 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000469116821 986833317 /nfs/dbraw/zinc/83/33/17/986833317.db2.gz QYOBHKCJLICUCN-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000469116821 986833330 /nfs/dbraw/zinc/83/33/30/986833330.db2.gz QYOBHKCJLICUCN-QHCPKHFHSA-N 2 2 420.557 3.714 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803189 986959404 /nfs/dbraw/zinc/95/94/04/986959404.db2.gz YXCNSDZMOFHSMN-LSDHHAIUSA-N 2 2 405.340 3.698 20 0 HHADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000444803189 986959412 /nfs/dbraw/zinc/95/94/12/986959412.db2.gz YXCNSDZMOFHSMN-LSDHHAIUSA-N 2 2 405.340 3.698 20 0 HHADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000469245946 986965117 /nfs/dbraw/zinc/96/51/17/986965117.db2.gz TUYZYQOQLPEGCN-UHFFFAOYSA-N 2 2 409.574 3.501 20 0 HHADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000469245946 986965121 /nfs/dbraw/zinc/96/51/21/986965121.db2.gz TUYZYQOQLPEGCN-UHFFFAOYSA-N 2 2 409.574 3.501 20 0 HHADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000469245946 986965125 /nfs/dbraw/zinc/96/51/25/986965125.db2.gz TUYZYQOQLPEGCN-UHFFFAOYSA-N 2 2 409.574 3.501 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000469291026 987008040 /nfs/dbraw/zinc/00/80/40/987008040.db2.gz YXSJQSOYCIPYHL-YZGWKJHDSA-N 2 2 404.601 3.542 20 0 HHADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000469291026 987008047 /nfs/dbraw/zinc/00/80/47/987008047.db2.gz YXSJQSOYCIPYHL-YZGWKJHDSA-N 2 2 404.601 3.542 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367108 987064762 /nfs/dbraw/zinc/06/47/62/987064762.db2.gz JKVZYQIGWXERQP-PKTZIBPZSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367108 987064768 /nfs/dbraw/zinc/06/47/68/987064768.db2.gz JKVZYQIGWXERQP-PKTZIBPZSA-N 2 2 412.578 3.586 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000469424552 987112336 /nfs/dbraw/zinc/11/23/36/987112336.db2.gz PBRDXKXCHOVOHU-DEOSSOPVSA-N 2 2 419.573 3.887 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000469424552 987112340 /nfs/dbraw/zinc/11/23/40/987112340.db2.gz PBRDXKXCHOVOHU-DEOSSOPVSA-N 2 2 419.573 3.887 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469465559 987149360 /nfs/dbraw/zinc/14/93/60/987149360.db2.gz XDUKDWIUHDGAIS-INIZCTEOSA-N 2 2 411.456 3.551 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469465559 987149368 /nfs/dbraw/zinc/14/93/68/987149368.db2.gz XDUKDWIUHDGAIS-INIZCTEOSA-N 2 2 411.456 3.551 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606713 987270129 /nfs/dbraw/zinc/27/01/29/987270129.db2.gz JDEZRXWJYQFGPG-WMZHIEFXSA-N 2 2 419.560 3.900 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C2)CC1 ZINC000469606713 987270137 /nfs/dbraw/zinc/27/01/37/987270137.db2.gz JDEZRXWJYQFGPG-WMZHIEFXSA-N 2 2 419.560 3.900 20 0 HHADLP CCOc1cc(Cl)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469663832 987320911 /nfs/dbraw/zinc/32/09/11/987320911.db2.gz SGLRCFGDYPRAII-UHFFFAOYSA-N 2 2 408.974 3.811 20 0 HHADLP CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000470029342 987641160 /nfs/dbraw/zinc/64/11/60/987641160.db2.gz FQVQBNFHFOUMAB-JOCHJYFZSA-N 2 2 418.626 3.840 20 0 HHADLP CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000470029342 987641161 /nfs/dbraw/zinc/64/11/61/987641161.db2.gz FQVQBNFHFOUMAB-JOCHJYFZSA-N 2 2 418.626 3.840 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464319846 988451997 /nfs/dbraw/zinc/45/19/97/988451997.db2.gz QZTLSVDDMAMRPO-DLBZAZTESA-N 2 2 401.473 3.708 20 0 HHADLP CN(C(=O)c1ccoc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464319846 988452004 /nfs/dbraw/zinc/45/20/04/988452004.db2.gz QZTLSVDDMAMRPO-DLBZAZTESA-N 2 2 401.473 3.708 20 0 HHADLP CC[C@](C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nc(C)cs1 ZINC000464802859 989031332 /nfs/dbraw/zinc/03/13/32/989031332.db2.gz SFEWODYQLWGEEP-NRFANRHFSA-N 2 2 418.632 3.854 20 0 HHADLP CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808249 989040948 /nfs/dbraw/zinc/04/09/48/989040948.db2.gz KIYQCIDWIICSJU-VWLOTQADSA-N 2 2 406.574 3.887 20 0 HHADLP CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808249 989040956 /nfs/dbraw/zinc/04/09/56/989040956.db2.gz KIYQCIDWIICSJU-VWLOTQADSA-N 2 2 406.574 3.887 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830552 989070214 /nfs/dbraw/zinc/07/02/14/989070214.db2.gz IOZYEVWGAGBHBC-LJQANCHMSA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830552 989070217 /nfs/dbraw/zinc/07/02/17/989070217.db2.gz IOZYEVWGAGBHBC-LJQANCHMSA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830552 989070222 /nfs/dbraw/zinc/07/02/22/989070222.db2.gz IOZYEVWGAGBHBC-LJQANCHMSA-N 2 2 417.956 3.891 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830552 989070228 /nfs/dbraw/zinc/07/02/28/989070228.db2.gz IOZYEVWGAGBHBC-LJQANCHMSA-N 2 2 417.956 3.891 20 0 HHADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018049 989088080 /nfs/dbraw/zinc/08/80/80/989088080.db2.gz INAXAFIIWOHPHJ-PSWAGMNNSA-N 2 2 415.537 3.773 20 0 HHADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018049 989088089 /nfs/dbraw/zinc/08/80/89/989088089.db2.gz INAXAFIIWOHPHJ-PSWAGMNNSA-N 2 2 415.537 3.773 20 0 HHADLP O=C(NCc1ccco1)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018049 989088099 /nfs/dbraw/zinc/08/80/99/989088099.db2.gz INAXAFIIWOHPHJ-PSWAGMNNSA-N 2 2 415.537 3.773 20 0 HHADLP O=C(NCc1ccco1)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000471018049 989088108 /nfs/dbraw/zinc/08/81/08/989088108.db2.gz INAXAFIIWOHPHJ-PSWAGMNNSA-N 2 2 415.537 3.773 20 0 HHADLP Cc1ccc(OCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000471413379 989591423 /nfs/dbraw/zinc/59/14/23/989591423.db2.gz NKPMQOJFRZXCGE-UHFFFAOYSA-N 2 2 401.595 3.529 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000465516632 989868565 /nfs/dbraw/zinc/86/85/65/989868565.db2.gz BKIGXMHQLRVGOS-HXUWFJFHSA-N 2 2 403.958 3.761 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000465604358 989986866 /nfs/dbraw/zinc/98/68/66/989986866.db2.gz QQSUYTDACBOVTE-OAQYLSRUSA-N 2 2 415.626 3.842 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000465604358 989986877 /nfs/dbraw/zinc/98/68/77/989986877.db2.gz QQSUYTDACBOVTE-OAQYLSRUSA-N 2 2 415.626 3.842 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCCc2csc3ccccc23)([NH+]2CCCCC2)CC1 ZINC000465640614 990027283 /nfs/dbraw/zinc/02/72/83/990027283.db2.gz RLQVSMOXDFALRT-UHFFFAOYSA-N 2 2 414.619 3.693 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465652127 990038765 /nfs/dbraw/zinc/03/87/65/990038765.db2.gz DVCFLDVLNTXABT-JOCHJYFZSA-N 2 2 400.611 3.676 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000465704307 990090571 /nfs/dbraw/zinc/09/05/71/990090571.db2.gz GZRAFZJUNOIBDS-UHFFFAOYSA-N 2 2 421.029 3.867 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000465735076 990120329 /nfs/dbraw/zinc/12/03/29/990120329.db2.gz DBJOKDDJXIKXPW-LJQANCHMSA-N 2 2 421.520 3.817 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000465735076 990120336 /nfs/dbraw/zinc/12/03/36/990120336.db2.gz DBJOKDDJXIKXPW-LJQANCHMSA-N 2 2 421.520 3.817 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000465747396 990132637 /nfs/dbraw/zinc/13/26/37/990132637.db2.gz GLUMOIJTVNTANS-HXUWFJFHSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000465747396 990132640 /nfs/dbraw/zinc/13/26/40/990132640.db2.gz GLUMOIJTVNTANS-HXUWFJFHSA-N 2 2 415.626 3.840 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465747902 990133449 /nfs/dbraw/zinc/13/34/49/990133449.db2.gz LNTMBYDYPXVRBL-QHAWAJNXSA-N 2 2 415.626 3.696 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465747902 990133452 /nfs/dbraw/zinc/13/34/52/990133452.db2.gz LNTMBYDYPXVRBL-QHAWAJNXSA-N 2 2 415.626 3.696 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000472002465 990171099 /nfs/dbraw/zinc/17/10/99/990171099.db2.gz MKMBTILWIYLCHJ-XZOQPEGZSA-N 2 2 423.605 3.590 20 0 HHADLP Cc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472002465 990171104 /nfs/dbraw/zinc/17/11/04/990171104.db2.gz MKMBTILWIYLCHJ-XZOQPEGZSA-N 2 2 423.605 3.590 20 0 HHADLP CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465809107 990191234 /nfs/dbraw/zinc/19/12/34/990191234.db2.gz KEDOCUGQHYABJB-XMSQKQJNSA-N 2 2 416.610 3.883 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC000465879503 990997793 /nfs/dbraw/zinc/99/77/93/990997793.db2.gz QMUCCPUDLBOFQB-MNEFBYGVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC000465879503 990997803 /nfs/dbraw/zinc/99/78/03/990997803.db2.gz QMUCCPUDLBOFQB-MNEFBYGVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879503 990997813 /nfs/dbraw/zinc/99/78/13/990997813.db2.gz QMUCCPUDLBOFQB-MNEFBYGVSA-N 2 2 410.965 3.568 20 0 HHADLP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC[NH+]1C ZINC000465879503 990997820 /nfs/dbraw/zinc/99/78/20/990997820.db2.gz QMUCCPUDLBOFQB-MNEFBYGVSA-N 2 2 410.965 3.568 20 0 HHADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465950237 991090738 /nfs/dbraw/zinc/09/07/38/991090738.db2.gz GKVNVYDKXDSOIP-NRFANRHFSA-N 2 2 401.599 3.594 20 0 HHADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000465950237 991090747 /nfs/dbraw/zinc/09/07/47/991090747.db2.gz GKVNVYDKXDSOIP-NRFANRHFSA-N 2 2 401.599 3.594 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)([NH+]2CCCCC2)CC1 ZINC000465989196 991150994 /nfs/dbraw/zinc/15/09/94/991150994.db2.gz WNDOBEJRIVBOGD-QFBILLFUSA-N 2 2 422.976 3.585 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466019005 991186722 /nfs/dbraw/zinc/18/67/22/991186722.db2.gz PWULCWPTLZAQJL-HXUWFJFHSA-N 2 2 403.615 3.696 20 0 HHADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000466136690 991316798 /nfs/dbraw/zinc/31/67/98/991316798.db2.gz DPUDRLMEBLZOKL-OAQYLSRUSA-N 2 2 402.558 3.623 20 0 HHADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466154306 991340700 /nfs/dbraw/zinc/34/07/00/991340700.db2.gz OVPNXFXHOVTRLM-NRFANRHFSA-N 2 2 412.622 3.947 20 0 HHADLP C[NH+]1CCC(CNC(=O)NC(C)(C)c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000466156792 991343900 /nfs/dbraw/zinc/34/39/00/991343900.db2.gz GYRSMMPHZOKUQN-UHFFFAOYSA-N 2 2 407.002 3.825 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466228974 991452271 /nfs/dbraw/zinc/45/22/71/991452271.db2.gz VHBJHWOWOVOTPM-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000466228974 991452275 /nfs/dbraw/zinc/45/22/75/991452275.db2.gz VHBJHWOWOVOTPM-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1)[NH+]1CCOCC1 ZINC000466585862 991902470 /nfs/dbraw/zinc/90/24/70/991902470.db2.gz MIBZKAVJJBTRFU-LJQANCHMSA-N 2 2 410.562 3.506 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466907604 992223322 /nfs/dbraw/zinc/22/33/22/992223322.db2.gz XWONAFILLQDNKU-DHIUTWEWSA-N 2 2 424.593 3.878 20 0 HHADLP CN(C(=O)Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466907604 992223335 /nfs/dbraw/zinc/22/33/35/992223335.db2.gz XWONAFILLQDNKU-DHIUTWEWSA-N 2 2 424.593 3.878 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466950683 992260780 /nfs/dbraw/zinc/26/07/80/992260780.db2.gz JNLJXHBBOUMDHE-XZOQPEGZSA-N 2 2 416.610 3.676 20 0 HHADLP COCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466950683 992260790 /nfs/dbraw/zinc/26/07/90/992260790.db2.gz JNLJXHBBOUMDHE-XZOQPEGZSA-N 2 2 416.610 3.676 20 0 HHADLP CN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000467156228 992474104 /nfs/dbraw/zinc/47/41/04/992474104.db2.gz YJYIIMKWXUAEFQ-HSZRJFAPSA-N 2 2 406.505 3.976 20 0 HHADLP Cc1sc2nc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000467203350 992528212 /nfs/dbraw/zinc/52/82/12/992528212.db2.gz WKZOIHAUEDQZOU-OAHLLOKOSA-N 2 2 404.580 3.652 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845487 /nfs/dbraw/zinc/84/54/87/992845487.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 2 2 405.608 3.853 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845495 /nfs/dbraw/zinc/84/54/95/992845495.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 2 2 405.608 3.853 20 0 HHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845503 /nfs/dbraw/zinc/84/55/03/992845503.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 2 2 405.608 3.853 20 0 HHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845509 /nfs/dbraw/zinc/84/55/09/992845509.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 2 2 405.608 3.853 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000467841721 993073377 /nfs/dbraw/zinc/07/33/77/993073377.db2.gz NNEOVRGIGBTXMS-LJQANCHMSA-N 2 2 415.603 3.561 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2cc(C(F)(F)F)ccc2F)([NH+]2CCCCC2)CC1 ZINC000472238117 993266363 /nfs/dbraw/zinc/26/63/63/993266363.db2.gz FVNRZSVDPXCYLO-UHFFFAOYSA-N 2 2 401.448 3.525 20 0 HHADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000472321030 993332114 /nfs/dbraw/zinc/33/21/14/993332114.db2.gz POVSIDGDLXPDMG-WOJBJXKFSA-N 2 2 402.583 3.636 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000480723468 993591133 /nfs/dbraw/zinc/59/11/33/993591133.db2.gz ZFVDFDWQAQJGRG-HXUWFJFHSA-N 2 2 418.589 3.564 20 0 HHADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000480914196 993769288 /nfs/dbraw/zinc/76/92/88/993769288.db2.gz URWZLXGGBZNMIH-QFIPXVFZSA-N 2 2 417.500 3.867 20 0 HHADLP COC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480913758 993769509 /nfs/dbraw/zinc/76/95/09/993769509.db2.gz VLZWULHRPWXEIC-JOCHJYFZSA-N 2 2 421.507 3.930 20 0 HHADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000480913758 993769517 /nfs/dbraw/zinc/76/95/17/993769517.db2.gz VLZWULHRPWXEIC-JOCHJYFZSA-N 2 2 421.507 3.930 20 0 HHADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000481169245 994000152 /nfs/dbraw/zinc/00/01/52/994000152.db2.gz CDCMMNFBGJIAEC-AWEZNQCLSA-N 2 2 411.377 3.985 20 0 HHADLP COc1ccccc1[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCCCC1 ZINC000481182056 994012408 /nfs/dbraw/zinc/01/24/08/994012408.db2.gz ONWXUNPIJVBYGD-XMMPIXPASA-N 2 2 408.590 3.871 20 0 HHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1Br ZINC000481194499 994027784 /nfs/dbraw/zinc/02/77/84/994027784.db2.gz WKQOQSVTSKRJHT-GFCCVEGCSA-N 2 2 420.189 3.709 20 0 HHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481207555 994041305 /nfs/dbraw/zinc/04/13/05/994041305.db2.gz QUBJZFUCUFUESA-FQEVSTJZSA-N 2 2 402.535 3.863 20 0 HHADLP O=C(C[NH2+][C@@H](CC1CCC1)c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000481269524 994087557 /nfs/dbraw/zinc/08/75/57/994087557.db2.gz NZWFKAOLBUOTGY-VWLOTQADSA-N 2 2 421.585 3.656 20 0 HHADLP Cc1noc(-c2ccccc2)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000481479525 994313307 /nfs/dbraw/zinc/31/33/07/994313307.db2.gz LFKJNQZWCPUOSE-UHFFFAOYSA-N 2 2 411.550 3.722 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000481553831 994386814 /nfs/dbraw/zinc/38/68/14/994386814.db2.gz VOQAHQIYWSGOAZ-ZJSXRUAMSA-N 2 2 423.601 3.947 20 0 HHADLP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000481553831 994386825 /nfs/dbraw/zinc/38/68/25/994386825.db2.gz VOQAHQIYWSGOAZ-ZJSXRUAMSA-N 2 2 423.601 3.947 20 0 HHADLP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481560456 994394501 /nfs/dbraw/zinc/39/45/01/994394501.db2.gz WTEXWVMSMDXEBZ-FDDCHVKYSA-N 2 2 404.514 3.632 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000473535609 994395516 /nfs/dbraw/zinc/39/55/16/994395516.db2.gz SXFMFFPKNQYKDE-UHFFFAOYSA-N 2 2 406.452 3.716 20 0 HHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423783 /nfs/dbraw/zinc/42/37/83/994423783.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423790 /nfs/dbraw/zinc/42/37/90/994423790.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423795 /nfs/dbraw/zinc/42/37/95/994423795.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423798 /nfs/dbraw/zinc/42/37/98/994423798.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 3 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423803 /nfs/dbraw/zinc/42/38/03/994423803.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 2 2 407.602 3.908 20 0 HHADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423808 /nfs/dbraw/zinc/42/38/08/994423808.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 2 2 407.602 3.908 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000481997806 994898394 /nfs/dbraw/zinc/89/83/94/994898394.db2.gz ACWMLDNWALLQOD-OLZOCXBDSA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000481997806 994898404 /nfs/dbraw/zinc/89/84/04/994898404.db2.gz ACWMLDNWALLQOD-OLZOCXBDSA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000481997808 994898750 /nfs/dbraw/zinc/89/87/50/994898750.db2.gz ACWMLDNWALLQOD-STQMWFEESA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000481997808 994898755 /nfs/dbraw/zinc/89/87/55/994898755.db2.gz ACWMLDNWALLQOD-STQMWFEESA-N 2 2 420.722 3.670 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482004888 994906559 /nfs/dbraw/zinc/90/65/59/994906559.db2.gz WZSCWEVLDHUJLB-CMPLNLGQSA-N 2 2 408.711 3.526 20 0 HHADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482004888 994906576 /nfs/dbraw/zinc/90/65/76/994906576.db2.gz WZSCWEVLDHUJLB-CMPLNLGQSA-N 2 2 408.711 3.526 20 0 HHADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(I)cc2OC)CC1 ZINC000482004402 994906934 /nfs/dbraw/zinc/90/69/34/994906934.db2.gz WWFLHPTUCZWOJS-UHFFFAOYSA-N 2 2 408.711 3.527 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000482022554 994935974 /nfs/dbraw/zinc/93/59/74/994935974.db2.gz YDXFAYMAMSILLV-VWNXMTODSA-N 2 2 416.525 3.897 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000482022554 994935982 /nfs/dbraw/zinc/93/59/82/994935982.db2.gz YDXFAYMAMSILLV-VWNXMTODSA-N 2 2 416.525 3.897 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000482032013 994948552 /nfs/dbraw/zinc/94/85/52/994948552.db2.gz GLBKLUNPEKALOP-OXQOHEQNSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000482032013 994948556 /nfs/dbraw/zinc/94/85/56/994948556.db2.gz GLBKLUNPEKALOP-OXQOHEQNSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000482032011 994949313 /nfs/dbraw/zinc/94/93/13/994949313.db2.gz GLBKLUNPEKALOP-JXFKEZNVSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000482032011 994949324 /nfs/dbraw/zinc/94/93/24/994949324.db2.gz GLBKLUNPEKALOP-JXFKEZNVSA-N 2 2 400.954 3.872 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482049906 994974418 /nfs/dbraw/zinc/97/44/18/994974418.db2.gz PSAJRKVSINMCTC-KXBFYZLASA-N 2 2 418.582 3.851 20 0 HHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482049906 994974428 /nfs/dbraw/zinc/97/44/28/994974428.db2.gz PSAJRKVSINMCTC-KXBFYZLASA-N 2 2 418.582 3.851 20 0 HHADLP O=C1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000474098838 995080525 /nfs/dbraw/zinc/08/05/25/995080525.db2.gz OMKDZYAWCVHHNN-QGZVFWFLSA-N 2 2 405.329 3.752 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000482144239 995094775 /nfs/dbraw/zinc/09/47/75/995094775.db2.gz PZTGAFQTDJAORI-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000482144239 995094787 /nfs/dbraw/zinc/09/47/87/995094787.db2.gz PZTGAFQTDJAORI-WMLDXEAASA-N 2 2 402.366 3.659 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](C)C1 ZINC000482149371 995101151 /nfs/dbraw/zinc/10/11/51/995101151.db2.gz IYUQTHVXLFJFQT-PGRDOPGGSA-N 2 2 414.569 3.727 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](C)C1 ZINC000482149371 995101160 /nfs/dbraw/zinc/10/11/60/995101160.db2.gz IYUQTHVXLFJFQT-PGRDOPGGSA-N 2 2 414.569 3.727 20 0 HHADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000474228778 995224250 /nfs/dbraw/zinc/22/42/50/995224250.db2.gz UKXJCDYGNJDKAF-VWLOTQADSA-N 2 2 421.585 3.589 20 0 HHADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000474228778 995224262 /nfs/dbraw/zinc/22/42/62/995224262.db2.gz UKXJCDYGNJDKAF-VWLOTQADSA-N 2 2 421.585 3.589 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000474322458 995305623 /nfs/dbraw/zinc/30/56/23/995305623.db2.gz PXLFOIFXKCFWQV-UHFFFAOYSA-N 2 2 408.590 3.564 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000474322458 995305629 /nfs/dbraw/zinc/30/56/29/995305629.db2.gz PXLFOIFXKCFWQV-UHFFFAOYSA-N 2 2 408.590 3.564 20 0 HHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474325482 995308023 /nfs/dbraw/zinc/30/80/23/995308023.db2.gz IOEKWFDCFVOKID-VQTJNVASSA-N 2 2 401.551 3.805 20 0 HHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474325482 995308030 /nfs/dbraw/zinc/30/80/30/995308030.db2.gz IOEKWFDCFVOKID-VQTJNVASSA-N 2 2 401.551 3.805 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000482457835 995460489 /nfs/dbraw/zinc/46/04/89/995460489.db2.gz VYSNVCMDCYJCFY-QMMLZNLJSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000482457835 995460496 /nfs/dbraw/zinc/46/04/96/995460496.db2.gz VYSNVCMDCYJCFY-QMMLZNLJSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000474526709 995492090 /nfs/dbraw/zinc/49/20/90/995492090.db2.gz ZXJBMFQMANTMHZ-PMACEKPBSA-N 2 2 409.578 3.730 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000482616854 995613197 /nfs/dbraw/zinc/61/31/97/995613197.db2.gz CDUZNCTXWXRBRH-SUMWQHHRSA-N 2 2 406.983 3.762 20 0 HHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000482616854 995613200 /nfs/dbraw/zinc/61/32/00/995613200.db2.gz CDUZNCTXWXRBRH-SUMWQHHRSA-N 2 2 406.983 3.762 20 0 HHADLP Fc1ccc(I)c(F)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000474733384 995667559 /nfs/dbraw/zinc/66/75/59/995667559.db2.gz FPNMINSOUUULED-UHFFFAOYSA-N 2 2 417.241 3.946 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000474789170 995711926 /nfs/dbraw/zinc/71/19/26/995711926.db2.gz VNFZSSORPOBVLV-UTKZUKDTSA-N 2 2 422.573 3.742 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)CC2 ZINC000474789170 995711935 /nfs/dbraw/zinc/71/19/35/995711935.db2.gz VNFZSSORPOBVLV-UTKZUKDTSA-N 2 2 422.573 3.742 20 0 HHADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000482729337 995712079 /nfs/dbraw/zinc/71/20/79/995712079.db2.gz KDXHVSNFHOJUGO-LJQANCHMSA-N 2 2 414.421 3.701 20 0 HHADLP CCOC(=O)C1(C)CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000474807436 995717914 /nfs/dbraw/zinc/71/79/14/995717914.db2.gz JCWZWBWCGIMJRI-VWRAKTAISA-N 2 2 402.579 3.988 20 0 HHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474895030 995784943 /nfs/dbraw/zinc/78/49/43/995784943.db2.gz FLMWSHJFKATDDI-LJQANCHMSA-N 2 2 412.578 3.675 20 0 HHADLP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474895030 995784951 /nfs/dbraw/zinc/78/49/51/995784951.db2.gz FLMWSHJFKATDDI-LJQANCHMSA-N 2 2 412.578 3.675 20 0 HHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000482885854 995817690 /nfs/dbraw/zinc/81/76/90/995817690.db2.gz MIFKXGZTWRXPHI-UHFFFAOYSA-N 2 2 401.530 3.855 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475156191 995958574 /nfs/dbraw/zinc/95/85/74/995958574.db2.gz PSNAOUGZANZGDO-MJGOQNOKSA-N 2 2 402.608 3.987 20 0 HHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475156191 995958579 /nfs/dbraw/zinc/95/85/79/995958579.db2.gz PSNAOUGZANZGDO-MJGOQNOKSA-N 2 2 402.608 3.987 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000483137113 995997162 /nfs/dbraw/zinc/99/71/62/995997162.db2.gz KLCWOCDUFRBELJ-SFHVURJKSA-N 2 2 412.559 3.754 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C2 ZINC000475321441 996069158 /nfs/dbraw/zinc/06/91/58/996069158.db2.gz YUPUMRKKZZXYCA-KRWDZBQOSA-N 2 2 402.970 3.882 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)CC2 ZINC000475321441 996069163 /nfs/dbraw/zinc/06/91/63/996069163.db2.gz YUPUMRKKZZXYCA-KRWDZBQOSA-N 2 2 402.970 3.882 20 0 HHADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269927 996072653 /nfs/dbraw/zinc/07/26/53/996072653.db2.gz OILFJOSHFKUXAZ-DNQXCXABSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000483269927 996072659 /nfs/dbraw/zinc/07/26/59/996072659.db2.gz OILFJOSHFKUXAZ-DNQXCXABSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000483269927 996072665 /nfs/dbraw/zinc/07/26/65/996072665.db2.gz OILFJOSHFKUXAZ-DNQXCXABSA-N 2 2 408.590 3.651 20 0 HHADLP COCCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000483269927 996072671 /nfs/dbraw/zinc/07/26/71/996072671.db2.gz OILFJOSHFKUXAZ-DNQXCXABSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475346284 996081171 /nfs/dbraw/zinc/08/11/71/996081171.db2.gz BXXPYWDBGKUEPC-DZIBYMRMSA-N 2 2 411.512 3.519 20 0 HHADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475346285 996081545 /nfs/dbraw/zinc/08/15/45/996081545.db2.gz BXXPYWDBGKUEPC-PBPGXSGUSA-N 2 2 411.512 3.519 20 0 HHADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000483329864 996102148 /nfs/dbraw/zinc/10/21/48/996102148.db2.gz GMTYSKGCUQUZNP-LJQANCHMSA-N 2 2 413.566 3.627 20 0 HHADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470818 996201114 /nfs/dbraw/zinc/20/11/14/996201114.db2.gz HEQWYXXKXMWSMR-JWQCQUIFSA-N 2 2 405.586 3.674 20 0 HHADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470818 996201117 /nfs/dbraw/zinc/20/11/17/996201117.db2.gz HEQWYXXKXMWSMR-JWQCQUIFSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470818 996201123 /nfs/dbraw/zinc/20/11/23/996201123.db2.gz HEQWYXXKXMWSMR-JWQCQUIFSA-N 2 2 405.586 3.674 20 0 HHADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000483470818 996201126 /nfs/dbraw/zinc/20/11/26/996201126.db2.gz HEQWYXXKXMWSMR-JWQCQUIFSA-N 2 2 405.586 3.674 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000475820444 996392214 /nfs/dbraw/zinc/39/22/14/996392214.db2.gz VHCVOVOTDOUNGY-PMACEKPBSA-N 2 2 404.599 3.591 20 0 HHADLP Cc1nc(CC(C)C)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000475820444 996392221 /nfs/dbraw/zinc/39/22/21/996392221.db2.gz VHCVOVOTDOUNGY-PMACEKPBSA-N 2 2 404.599 3.591 20 0 HHADLP CN(c1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000483927335 996473146 /nfs/dbraw/zinc/47/31/46/996473146.db2.gz LUZVYTITLZKMSE-UHFFFAOYSA-N 2 2 413.610 3.746 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)C2 ZINC000476047960 996565998 /nfs/dbraw/zinc/56/59/98/996565998.db2.gz VRPBRQGPFIBDSA-AWEZNQCLSA-N 2 2 404.942 3.871 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)CC2 ZINC000476047960 996566005 /nfs/dbraw/zinc/56/60/05/996566005.db2.gz VRPBRQGPFIBDSA-AWEZNQCLSA-N 2 2 404.942 3.871 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1OC(F)F ZINC000484141935 996595155 /nfs/dbraw/zinc/59/51/55/996595155.db2.gz RPUMAINVJIQSLK-FFZOFVMBSA-N 2 2 420.500 3.830 20 0 HHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1OC(F)F ZINC000484141935 996595162 /nfs/dbraw/zinc/59/51/62/996595162.db2.gz RPUMAINVJIQSLK-FFZOFVMBSA-N 2 2 420.500 3.830 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000484166331 996611756 /nfs/dbraw/zinc/61/17/56/996611756.db2.gz VKUIATBBTNPDPW-LEWJYISDSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@@]1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166331 996611758 /nfs/dbraw/zinc/61/17/58/996611758.db2.gz VKUIATBBTNPDPW-LEWJYISDSA-N 2 2 419.338 3.802 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170654 996614428 /nfs/dbraw/zinc/61/44/28/996614428.db2.gz TVYMQMUXOQVZJE-HOYKHHGWSA-N 2 2 408.521 3.607 20 0 HHADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccc(F)cc1 ZINC000484170654 996614431 /nfs/dbraw/zinc/61/44/31/996614431.db2.gz TVYMQMUXOQVZJE-HOYKHHGWSA-N 2 2 408.521 3.607 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@H](C)C3)cc1)C2 ZINC000476169839 996651370 /nfs/dbraw/zinc/65/13/70/996651370.db2.gz VTTLGLWALINRNK-ROUUACIJSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@H](C)C3)cc1)C2 ZINC000476169839 996651372 /nfs/dbraw/zinc/65/13/72/996651372.db2.gz VTTLGLWALINRNK-ROUUACIJSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@H](C)C3)cc1)CC2 ZINC000476169839 996651374 /nfs/dbraw/zinc/65/13/74/996651374.db2.gz VTTLGLWALINRNK-ROUUACIJSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@H](C)C3)cc1)CC2 ZINC000476169839 996651377 /nfs/dbraw/zinc/65/13/77/996651377.db2.gz VTTLGLWALINRNK-ROUUACIJSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc1)C2 ZINC000476169827 996651456 /nfs/dbraw/zinc/65/14/56/996651456.db2.gz VTTLGLWALINRNK-MSOLQXFVSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@@H](C)C3)cc1)C2 ZINC000476169827 996651460 /nfs/dbraw/zinc/65/14/60/996651460.db2.gz VTTLGLWALINRNK-MSOLQXFVSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc1)CC2 ZINC000476169827 996651464 /nfs/dbraw/zinc/65/14/64/996651464.db2.gz VTTLGLWALINRNK-MSOLQXFVSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@@H](C)C3)cc1)CC2 ZINC000476169827 996651467 /nfs/dbraw/zinc/65/14/67/996651467.db2.gz VTTLGLWALINRNK-MSOLQXFVSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc1)C2 ZINC000476169834 996651760 /nfs/dbraw/zinc/65/17/60/996651760.db2.gz VTTLGLWALINRNK-QZTJIDSGSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@@H](C)C3)cc1)C2 ZINC000476169834 996651764 /nfs/dbraw/zinc/65/17/64/996651764.db2.gz VTTLGLWALINRNK-QZTJIDSGSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc1)CC2 ZINC000476169834 996651770 /nfs/dbraw/zinc/65/17/70/996651770.db2.gz VTTLGLWALINRNK-QZTJIDSGSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[N@H+]3CC[C@@H](C)C3)cc1)CC2 ZINC000476169834 996651773 /nfs/dbraw/zinc/65/17/73/996651773.db2.gz VTTLGLWALINRNK-QZTJIDSGSA-N 2 2 410.562 3.997 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000476176795 996656911 /nfs/dbraw/zinc/65/69/11/996656911.db2.gz ZFPBQNCKOJHFGK-JXXFODFXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C2 ZINC000476176795 996656914 /nfs/dbraw/zinc/65/69/14/996656914.db2.gz ZFPBQNCKOJHFGK-JXXFODFXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000476176795 996656918 /nfs/dbraw/zinc/65/69/18/996656918.db2.gz ZFPBQNCKOJHFGK-JXXFODFXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CC2 ZINC000476176795 996656921 /nfs/dbraw/zinc/65/69/21/996656921.db2.gz ZFPBQNCKOJHFGK-JXXFODFXSA-N 2 2 400.592 3.899 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000476314642 996751003 /nfs/dbraw/zinc/75/10/03/996751003.db2.gz NYERURBNGFZNAZ-KSPVPNAGSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000476314642 996751102 /nfs/dbraw/zinc/75/11/02/996751102.db2.gz NYERURBNGFZNAZ-KSPVPNAGSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000476314642 996751121 /nfs/dbraw/zinc/75/11/21/996751121.db2.gz NYERURBNGFZNAZ-KSPVPNAGSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000476314642 996751142 /nfs/dbraw/zinc/75/11/42/996751142.db2.gz NYERURBNGFZNAZ-KSPVPNAGSA-N 2 2 408.590 3.911 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(N3CC[NH+](C(C)C)CC3)c1)C2 ZINC000476534377 997024361 /nfs/dbraw/zinc/02/43/61/997024361.db2.gz FWQCHJIXAMNMJO-SFHVURJKSA-N 2 2 409.578 3.807 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(N3CC[NH+](C(C)C)CC3)c1)CC2 ZINC000476534377 997024374 /nfs/dbraw/zinc/02/43/74/997024374.db2.gz FWQCHJIXAMNMJO-SFHVURJKSA-N 2 2 409.578 3.807 20 0 HHADLP COc1ccc(-c2csc3ncnc(NCC[NH+]4CCC([NH+](C)C)CC4)c23)cc1 ZINC000484819018 997178257 /nfs/dbraw/zinc/17/82/57/997178257.db2.gz WQTGZEMKVBEGBG-UHFFFAOYSA-N 2 2 411.575 3.805 20 0 HHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000484994274 997356473 /nfs/dbraw/zinc/35/64/73/997356473.db2.gz IWISIPJTJFEIFW-IBGZPJMESA-N 2 2 421.541 3.540 20 0 HHADLP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000485064119 997431170 /nfs/dbraw/zinc/43/11/70/997431170.db2.gz DCYRMJNBPXBUQO-UHFFFAOYSA-N 2 2 412.603 3.941 20 0 HHADLP C[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2OCC2CC2)([NH+]2CCCCC2)CC1 ZINC000485277699 997672079 /nfs/dbraw/zinc/67/20/79/997672079.db2.gz REGQTEGLWDIIAL-UHFFFAOYSA-N 2 2 418.557 3.686 20 0 HHADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000485311083 997720500 /nfs/dbraw/zinc/72/05/00/997720500.db2.gz WSZQPDRNZZVFQU-LSTHTHJFSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)CC[C@@H]21 ZINC000485311083 997720512 /nfs/dbraw/zinc/72/05/12/997720512.db2.gz WSZQPDRNZZVFQU-LSTHTHJFSA-N 2 2 422.976 3.742 20 0 HHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000485441064 997882068 /nfs/dbraw/zinc/88/20/68/997882068.db2.gz XAUOXAMUQVSCGK-FQEVSTJZSA-N 2 2 401.599 3.573 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486161152 998610456 /nfs/dbraw/zinc/61/04/56/998610456.db2.gz WNRYEZWFIZGCKG-UFYCRDLUSA-N 2 2 418.651 3.667 20 0 HHADLP Cc1nc2c(s1)CCC[C@@H]2C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486161152 998610458 /nfs/dbraw/zinc/61/04/58/998610458.db2.gz WNRYEZWFIZGCKG-UFYCRDLUSA-N 2 2 418.651 3.667 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931783 998665094 /nfs/dbraw/zinc/66/50/94/998665094.db2.gz PZQJTSPAIHMQEY-VQIMIIECSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000477931783 998665096 /nfs/dbraw/zinc/66/50/96/998665096.db2.gz PZQJTSPAIHMQEY-VQIMIIECSA-N 2 2 408.468 3.765 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486273087 998690002 /nfs/dbraw/zinc/69/00/02/998690002.db2.gz CJOIDYAHZCEDSM-GHTZIAJQSA-N 2 2 421.520 3.721 20 0 HHADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486273087 998690003 /nfs/dbraw/zinc/69/00/03/998690003.db2.gz CJOIDYAHZCEDSM-GHTZIAJQSA-N 2 2 421.520 3.721 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048040 998734813 /nfs/dbraw/zinc/73/48/13/998734813.db2.gz PTBURBLTLOFVLG-WTOYTKOKSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000478048040 998734817 /nfs/dbraw/zinc/73/48/17/998734817.db2.gz PTBURBLTLOFVLG-WTOYTKOKSA-N 2 2 403.615 3.572 20 0 HHADLP COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000478626655 999052623 /nfs/dbraw/zinc/05/26/23/999052623.db2.gz YVHGTDHZWSWQMP-JOCHJYFZSA-N 2 2 403.530 3.905 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487086944 999058580 /nfs/dbraw/zinc/05/85/80/999058580.db2.gz HZGHIUSDWWPEDC-SFTDATJTSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000487086944 999058585 /nfs/dbraw/zinc/05/85/85/999058585.db2.gz HZGHIUSDWWPEDC-SFTDATJTSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+](C)C ZINC000478749338 999121104 /nfs/dbraw/zinc/12/11/04/999121104.db2.gz LAISHFOTSLPRFY-AUSIDOKSSA-N 2 2 405.546 3.730 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000487282101 999123361 /nfs/dbraw/zinc/12/33/61/999123361.db2.gz OGOMKEYXRGJHGC-BGYRXZFFSA-N 2 2 423.557 3.683 20 0 HHADLP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000487282101 999123364 /nfs/dbraw/zinc/12/33/64/999123364.db2.gz OGOMKEYXRGJHGC-BGYRXZFFSA-N 2 2 423.557 3.683 20 0 HHADLP CCCOc1ccc(Cl)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000487546111 999211580 /nfs/dbraw/zinc/21/15/80/999211580.db2.gz XTTXFENBNYYPQM-UHFFFAOYSA-N 2 2 407.986 3.809 20 0 HHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000479488944 999440358 /nfs/dbraw/zinc/44/03/58/999440358.db2.gz LMLKCZKUHAGEAB-NLNFPOJYSA-N 2 2 419.513 3.514 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H]1CC1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488399954 999475307 /nfs/dbraw/zinc/47/53/07/999475307.db2.gz BFDQONASOPJSIF-DEOSSOPVSA-N 2 2 413.606 3.570 20 0 HHADLP O=C(C[N@H+]1CCC[C@H]1CC1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000488399954 999475308 /nfs/dbraw/zinc/47/53/08/999475308.db2.gz BFDQONASOPJSIF-DEOSSOPVSA-N 2 2 413.606 3.570 20 0 HHADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 ZINC000488410582 999479453 /nfs/dbraw/zinc/47/94/53/999479453.db2.gz YXMKNEQUKAUGAT-UHFFFAOYSA-N 2 2 416.591 3.811 20 0 HHADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1Cl ZINC000488601045 999542187 /nfs/dbraw/zinc/54/21/87/999542187.db2.gz XQIRRTDETIXRRL-CQSZACIVSA-N 2 2 413.393 3.912 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000488790230 999608475 /nfs/dbraw/zinc/60/84/75/999608475.db2.gz BWOCGZYHTCBSRP-PGRDOPGGSA-N 2 2 415.965 3.523 20 0 HHADLP Cc1ccccc1-n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C(C)C ZINC000479917205 999648472 /nfs/dbraw/zinc/64/84/72/999648472.db2.gz YMSSGLSXONEZDI-UHFFFAOYSA-N 2 2 423.605 3.593 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccs1 ZINC000489095388 999698014 /nfs/dbraw/zinc/69/80/14/999698014.db2.gz AKJREUCEPDDPAY-ZVDOUQERSA-N 2 2 409.559 3.775 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000489255900 999731325 /nfs/dbraw/zinc/73/13/25/999731325.db2.gz NDZCYLLVMMTSKP-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000489255900 999731327 /nfs/dbraw/zinc/73/13/27/999731327.db2.gz NDZCYLLVMMTSKP-MRXNPFEDSA-N 2 2 402.489 3.925 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000489300405 999740490 /nfs/dbraw/zinc/74/04/90/999740490.db2.gz YZVKYCYXDJWFJY-SFTDATJTSA-N 2 2 408.590 3.928 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000489300405 999740492 /nfs/dbraw/zinc/74/04/92/999740492.db2.gz YZVKYCYXDJWFJY-SFTDATJTSA-N 2 2 408.590 3.928 20 0 HHADLP COc1ccc([C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c2nccn2C)cc1 ZINC000480345334 999776402 /nfs/dbraw/zinc/77/64/02/999776402.db2.gz ZEYASJMTCDMNTQ-JPYJTQIMSA-N 2 2 408.546 3.809 20 0 HHADLP O[C@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000480367705 999781917 /nfs/dbraw/zinc/78/19/17/999781917.db2.gz XJTNQRIVCXQKTB-KRWDZBQOSA-N 2 2 415.784 3.891 20 0 HHADLP O[C@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000480367705 999781919 /nfs/dbraw/zinc/78/19/19/999781919.db2.gz XJTNQRIVCXQKTB-KRWDZBQOSA-N 2 2 415.784 3.891 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000489740691 999828934 /nfs/dbraw/zinc/82/89/34/999828934.db2.gz QDFZVTFVMOFFKK-XMMPIXPASA-N 2 2 422.617 3.680 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000489740691 999828937 /nfs/dbraw/zinc/82/89/37/999828937.db2.gz QDFZVTFVMOFFKK-XMMPIXPASA-N 2 2 422.617 3.680 20 0 HHADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000489864517 999851036 /nfs/dbraw/zinc/85/10/36/999851036.db2.gz KUWFTVWUEGRZLL-UHFFFAOYSA-N 2 2 421.589 3.878 20 0 HHADLP C[NH+]1CCN(c2ncccc2C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000490172867 999904649 /nfs/dbraw/zinc/90/46/49/999904649.db2.gz QTBIAOHXAJVKFR-UHFFFAOYSA-N 2 2 408.496 3.991 20 0 HHADLP Cc1nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676732 999992212 /nfs/dbraw/zinc/99/22/12/999992212.db2.gz XDKYUGCBGVJNHK-OXQOHEQNSA-N 2 2 402.970 3.761 20 0 HHADLP Cc1nc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490676732 999992213 /nfs/dbraw/zinc/99/22/13/999992213.db2.gz XDKYUGCBGVJNHK-OXQOHEQNSA-N 2 2 402.970 3.761 20 0 HHADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000491022353 1000034953 /nfs/dbraw/zinc/03/49/53/1000034953.db2.gz PTLRIFAXOOWILS-UWJYYQICSA-N 2 2 402.380 3.764 20 0 HHADLP CC1CC[NH+]([C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2ccccc2)CC1 ZINC000491871783 1000098708 /nfs/dbraw/zinc/09/87/08/1000098708.db2.gz BGXLBXASJNPNCU-JOCHJYFZSA-N 2 2 418.545 3.921 20 0 HHADLP CC(C)[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000492018150 1000105102 /nfs/dbraw/zinc/10/51/02/1000105102.db2.gz CWLLKFLKRWSGNM-JOCHJYFZSA-N 2 2 418.545 3.531 20 0 HHADLP CC(C)[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[N@H+]1CCc2ccccc2C1 ZINC000492018150 1000105104 /nfs/dbraw/zinc/10/51/04/1000105104.db2.gz CWLLKFLKRWSGNM-JOCHJYFZSA-N 2 2 418.545 3.531 20 0 HHADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1cccs1 ZINC000492162195 1000112668 /nfs/dbraw/zinc/11/26/68/1000112668.db2.gz VDYOSUMGOAQMKV-PXNSSMCTSA-N 2 2 410.547 3.593 20 0 HHADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1c1cccs1 ZINC000492162195 1000112669 /nfs/dbraw/zinc/11/26/69/1000112669.db2.gz VDYOSUMGOAQMKV-PXNSSMCTSA-N 2 2 410.547 3.593 20 0 HHADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210847 1000115551 /nfs/dbraw/zinc/11/55/51/1000115551.db2.gz OQFLAPBPHBDDMG-ZCYQVOJMSA-N 2 2 414.553 3.658 20 0 HHADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)C1 ZINC000492210847 1000115552 /nfs/dbraw/zinc/11/55/52/1000115552.db2.gz OQFLAPBPHBDDMG-ZCYQVOJMSA-N 2 2 414.553 3.658 20 0 HHADLP CC(=O)N1CC[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c2ccccc2C1 ZINC000493276452 1000166570 /nfs/dbraw/zinc/16/65/70/1000166570.db2.gz JQUPHMUNYIKBNU-NBGIEHNGSA-N 2 2 421.585 3.970 20 0 HHADLP Brc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494417712 1000482148 /nfs/dbraw/zinc/48/21/48/1000482148.db2.gz YFMSNODFCRNJTM-QGZVFWFLSA-N 2 2 413.319 3.724 20 0 HHADLP CC(C)Oc1cc(F)ccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000494502358 1000527747 /nfs/dbraw/zinc/52/77/47/1000527747.db2.gz KSLPQUQQVIQQRN-UHFFFAOYSA-N 2 2 406.546 3.685 20 0 HHADLP COc1cc(C)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1C ZINC000495007280 1000775937 /nfs/dbraw/zinc/77/59/37/1000775937.db2.gz IVASWUFRRAMMOF-UHFFFAOYSA-N 2 2 402.583 3.692 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](Cc4ccccc4C)CC3)cn2c1 ZINC000495290657 1000954182 /nfs/dbraw/zinc/95/41/82/1000954182.db2.gz XQIVOHZSBFYYAY-UHFFFAOYSA-N 2 2 422.598 3.965 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495775610 1001075816 /nfs/dbraw/zinc/07/58/16/1001075816.db2.gz SPRALLZZGSPAND-UHFFFAOYSA-N 2 2 409.574 3.672 20 0 HHADLP Cc1ccccc1COc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495775610 1001075818 /nfs/dbraw/zinc/07/58/18/1001075818.db2.gz SPRALLZZGSPAND-UHFFFAOYSA-N 2 2 409.574 3.672 20 0 HHADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000506041594 1001184724 /nfs/dbraw/zinc/18/47/24/1001184724.db2.gz KINIUOUSHPZHEM-UHFFFAOYSA-N 2 2 414.377 3.756 20 0 HHADLP CC[N@H+](CC(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)Cc1ccccc1Cl ZINC000506650152 1001482999 /nfs/dbraw/zinc/48/29/99/1001482999.db2.gz DDYKVLZMPCKQPK-REWPJTCUSA-N 2 2 414.981 3.708 20 0 HHADLP CC[N@@H+](CC(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)Cc1ccccc1Cl ZINC000506650152 1001483000 /nfs/dbraw/zinc/48/30/00/1001483000.db2.gz DDYKVLZMPCKQPK-REWPJTCUSA-N 2 2 414.981 3.708 20 0 HHADLP CC[NH+](CC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)Cc1ccccc1Cl ZINC000506650152 1001483002 /nfs/dbraw/zinc/48/30/02/1001483002.db2.gz DDYKVLZMPCKQPK-REWPJTCUSA-N 2 2 414.981 3.708 20 0 HHADLP CC[NH+](CC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)Cc1ccccc1Cl ZINC000506650152 1001483003 /nfs/dbraw/zinc/48/30/03/1001483003.db2.gz DDYKVLZMPCKQPK-REWPJTCUSA-N 2 2 414.981 3.708 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922325 1001594848 /nfs/dbraw/zinc/59/48/48/1001594848.db2.gz OEYAYRUWMPMIFY-NHCUHLMSSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000506922325 1001594852 /nfs/dbraw/zinc/59/48/52/1001594852.db2.gz OEYAYRUWMPMIFY-NHCUHLMSSA-N 2 2 409.578 3.727 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166247 1001671263 /nfs/dbraw/zinc/67/12/63/1001671263.db2.gz NCUSLXAHQXNWCL-NSISKUIASA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000498166247 1001671266 /nfs/dbraw/zinc/67/12/66/1001671266.db2.gz NCUSLXAHQXNWCL-NSISKUIASA-N 2 2 422.976 3.742 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(F)c1 ZINC000507078573 1001794907 /nfs/dbraw/zinc/79/49/07/1001794907.db2.gz KZAJLPYXIRRZIQ-RXVVDRJESA-N 2 2 413.541 3.550 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097492 1001805800 /nfs/dbraw/zinc/80/58/00/1001805800.db2.gz PMFRECDLSHAEEW-VQTJNVASSA-N 2 2 401.599 3.763 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507097492 1001805808 /nfs/dbraw/zinc/80/58/08/1001805808.db2.gz PMFRECDLSHAEEW-VQTJNVASSA-N 2 2 401.599 3.763 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507116617 1001818215 /nfs/dbraw/zinc/81/82/15/1001818215.db2.gz BNUGQPNRLLVXGH-CTNGQTDRSA-N 2 2 401.599 3.619 20 0 HHADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507116625 1001818234 /nfs/dbraw/zinc/81/82/34/1001818234.db2.gz BNUGQPNRLLVXGH-FPOVZHCZSA-N 2 2 401.599 3.619 20 0 HHADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507272855 1001956081 /nfs/dbraw/zinc/95/60/81/1001956081.db2.gz HDONMZQQIIVCIJ-OAQYLSRUSA-N 2 2 409.578 3.760 20 0 HHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507272855 1001956086 /nfs/dbraw/zinc/95/60/86/1001956086.db2.gz HDONMZQQIIVCIJ-OAQYLSRUSA-N 2 2 409.578 3.760 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000507374911 1002031804 /nfs/dbraw/zinc/03/18/04/1002031804.db2.gz ZSKKITXOZONBLV-SLFFLAALSA-N 2 2 413.610 3.761 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000507374911 1002031813 /nfs/dbraw/zinc/03/18/13/1002031813.db2.gz ZSKKITXOZONBLV-SLFFLAALSA-N 2 2 413.610 3.761 20 0 HHADLP CCOc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc(Cl)c1O ZINC000507396528 1002047482 /nfs/dbraw/zinc/04/74/82/1002047482.db2.gz DRPZXPRBZYTEIY-UHFFFAOYSA-N 2 2 403.954 3.746 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507529986 1002138521 /nfs/dbraw/zinc/13/85/21/1002138521.db2.gz PJNOQWSREPFDNY-LUGTWXOSSA-N 2 2 412.599 3.739 20 0 HHADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507529986 1002138516 /nfs/dbraw/zinc/13/85/16/1002138516.db2.gz PJNOQWSREPFDNY-LUGTWXOSSA-N 2 2 412.599 3.739 20 0 HHADLP Clc1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498834223 1002220082 /nfs/dbraw/zinc/22/00/82/1002220082.db2.gz NBQCWWHDEXAQSL-FQEVSTJZSA-N 2 2 414.981 3.648 20 0 HHADLP Clc1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000498834223 1002220093 /nfs/dbraw/zinc/22/00/93/1002220093.db2.gz NBQCWWHDEXAQSL-FQEVSTJZSA-N 2 2 414.981 3.648 20 0 HHADLP Cn1ccnc1[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(F)c1 ZINC000507886364 1002418394 /nfs/dbraw/zinc/41/83/94/1002418394.db2.gz BUSQVYVXYWGMST-QFIPXVFZSA-N 2 2 408.525 3.686 20 0 HHADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000499067915 1002451576 /nfs/dbraw/zinc/45/15/76/1002451576.db2.gz CYKCMCJPKREBRQ-UHFFFAOYSA-N 2 2 417.273 3.795 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000499315631 1002721915 /nfs/dbraw/zinc/72/19/15/1002721915.db2.gz YHONBVGIPBSLCK-YADARESESA-N 2 2 417.557 3.810 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000499315631 1002721930 /nfs/dbraw/zinc/72/19/30/1002721930.db2.gz YHONBVGIPBSLCK-YADARESESA-N 2 2 417.557 3.810 20 0 HHADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000499419722 1002803712 /nfs/dbraw/zinc/80/37/12/1002803712.db2.gz IZHZVEUAYBZXAX-KRWDZBQOSA-N 2 2 422.411 3.619 20 0 HHADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508632930 1003083173 /nfs/dbraw/zinc/08/31/73/1003083173.db2.gz BAYNEEBERPCPIF-VIZSFHNOSA-N 2 2 401.595 3.787 20 0 HHADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508898654 1003330935 /nfs/dbraw/zinc/33/09/35/1003330935.db2.gz QWBCGJURJVETQJ-DWLFOUALSA-N 2 2 409.578 3.800 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(C)c1 ZINC000500098361 1003460133 /nfs/dbraw/zinc/46/01/33/1003460133.db2.gz LQQWSWOUXNWJKU-QHCPKHFHSA-N 2 2 423.561 3.998 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c(C)c1 ZINC000500098361 1003460136 /nfs/dbraw/zinc/46/01/36/1003460136.db2.gz LQQWSWOUXNWJKU-QHCPKHFHSA-N 2 2 423.561 3.998 20 0 HHADLP COC(=O)c1sccc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000509035091 1003505389 /nfs/dbraw/zinc/50/53/89/1003505389.db2.gz AJWMBGZZEPAJHY-UHFFFAOYSA-N 2 2 417.575 3.652 20 0 HHADLP COC(=O)c1sccc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000509035091 1003505395 /nfs/dbraw/zinc/50/53/95/1003505395.db2.gz AJWMBGZZEPAJHY-UHFFFAOYSA-N 2 2 417.575 3.652 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000500203955 1003547730 /nfs/dbraw/zinc/54/77/30/1003547730.db2.gz ZLUHVQQRVHGCCV-DJIMGWMZSA-N 2 2 417.541 3.862 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000500203955 1003547739 /nfs/dbraw/zinc/54/77/39/1003547739.db2.gz ZLUHVQQRVHGCCV-DJIMGWMZSA-N 2 2 417.541 3.862 20 0 HHADLP C(=C\c1ccccc1)\C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509280854 1003677010 /nfs/dbraw/zinc/67/70/10/1003677010.db2.gz XQBRWNYXJLWQNV-XFFZJAGNSA-N 2 2 404.602 3.530 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000500510870 1003754108 /nfs/dbraw/zinc/75/41/08/1003754108.db2.gz CKLNGYUBYGMYRP-FGZHOGPDSA-N 2 2 423.557 3.819 20 0 HHADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OCC(=O)Nc1ccccc1 ZINC000500510870 1003754113 /nfs/dbraw/zinc/75/41/13/1003754113.db2.gz CKLNGYUBYGMYRP-FGZHOGPDSA-N 2 2 423.557 3.819 20 0 HHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000500564735 1003785525 /nfs/dbraw/zinc/78/55/25/1003785525.db2.gz MWXKXTFOOSKQBU-KRWDZBQOSA-N 2 2 403.255 3.701 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511850909 1003830024 /nfs/dbraw/zinc/83/00/24/1003830024.db2.gz VCKGMXWJSHFXPM-UXHICEINSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511850909 1003830036 /nfs/dbraw/zinc/83/00/36/1003830036.db2.gz VCKGMXWJSHFXPM-UXHICEINSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511850910 1003830185 /nfs/dbraw/zinc/83/01/85/1003830185.db2.gz VCKGMXWJSHFXPM-VQTJNVASSA-N 2 2 421.948 3.897 20 0 HHADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511850910 1003830202 /nfs/dbraw/zinc/83/02/02/1003830202.db2.gz VCKGMXWJSHFXPM-VQTJNVASSA-N 2 2 421.948 3.897 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000500647660 1003860516 /nfs/dbraw/zinc/86/05/16/1003860516.db2.gz HZOAHUAGYDRICD-OYRHEFFESA-N 2 2 421.589 3.591 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)C1 ZINC000500647660 1003860530 /nfs/dbraw/zinc/86/05/30/1003860530.db2.gz HZOAHUAGYDRICD-OYRHEFFESA-N 2 2 421.589 3.591 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000500685744 1003893544 /nfs/dbraw/zinc/89/35/44/1003893544.db2.gz PRPSRWGSFBJRGA-BGYRXZFFSA-N 2 2 423.605 3.739 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000500685744 1003893556 /nfs/dbraw/zinc/89/35/56/1003893556.db2.gz PRPSRWGSFBJRGA-BGYRXZFFSA-N 2 2 423.605 3.739 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000509527015 1003924276 /nfs/dbraw/zinc/92/42/76/1003924276.db2.gz MKEATENXYFMQJE-LEWJYISDSA-N 2 2 409.578 3.540 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000509527015 1003924284 /nfs/dbraw/zinc/92/42/84/1003924284.db2.gz MKEATENXYFMQJE-LEWJYISDSA-N 2 2 409.578 3.540 20 0 HHADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccco1 ZINC000509595618 1003969083 /nfs/dbraw/zinc/96/90/83/1003969083.db2.gz IFWZZRYHXHVQDV-SCTDSRPQSA-N 2 2 404.580 3.859 20 0 HHADLP C[NH+](C)Cc1cnc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000512050103 1003982694 /nfs/dbraw/zinc/98/26/94/1003982694.db2.gz AZLRRFBVJHDUHF-UHFFFAOYSA-N 2 2 408.877 3.831 20 0 HHADLP Brc1cscc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000512086043 1004011836 /nfs/dbraw/zinc/01/18/36/1004011836.db2.gz AGVZOWZFIJQMTG-UHFFFAOYSA-N 2 2 411.365 3.511 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901354 1004039386 /nfs/dbraw/zinc/03/93/86/1004039386.db2.gz UNNSEMWHEMBUBA-SFTDATJTSA-N 2 2 424.992 3.988 20 0 HHADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000500901354 1004039396 /nfs/dbraw/zinc/03/93/96/1004039396.db2.gz UNNSEMWHEMBUBA-SFTDATJTSA-N 2 2 424.992 3.988 20 0 HHADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501019325 1004121894 /nfs/dbraw/zinc/12/18/94/1004121894.db2.gz CAKOKHYQWBBGDE-FQEVSTJZSA-N 2 2 415.969 3.552 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000509855182 1004151410 /nfs/dbraw/zinc/15/14/10/1004151410.db2.gz QDBXVYVHCVMTAS-BGYRXZFFSA-N 2 2 402.583 3.683 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000509855182 1004151419 /nfs/dbraw/zinc/15/14/19/1004151419.db2.gz QDBXVYVHCVMTAS-BGYRXZFFSA-N 2 2 402.583 3.683 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000501076019 1004181085 /nfs/dbraw/zinc/18/10/85/1004181085.db2.gz JQHISYLYUWIYGT-OAQYLSRUSA-N 2 2 411.575 3.875 20 0 HHADLP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000512288564 1004191141 /nfs/dbraw/zinc/19/11/41/1004191141.db2.gz NTSHXMBUAJNAHX-HSZRJFAPSA-N 2 2 406.574 3.610 20 0 HHADLP Cc1cc2ncn(C[C@H](O)C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000512288564 1004191148 /nfs/dbraw/zinc/19/11/48/1004191148.db2.gz NTSHXMBUAJNAHX-HSZRJFAPSA-N 2 2 406.574 3.610 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000512309978 1004208345 /nfs/dbraw/zinc/20/83/45/1004208345.db2.gz OLESGWSMFPYPFX-UHFFFAOYSA-N 2 2 416.569 4.000 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000512309978 1004208355 /nfs/dbraw/zinc/20/83/55/1004208355.db2.gz OLESGWSMFPYPFX-UHFFFAOYSA-N 2 2 416.569 4.000 20 0 HHADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509950908 1004228076 /nfs/dbraw/zinc/22/80/76/1004228076.db2.gz CZJQURPBKXTWQW-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509950908 1004228087 /nfs/dbraw/zinc/22/80/87/1004228087.db2.gz CZJQURPBKXTWQW-HXUWFJFHSA-N 2 2 406.452 3.570 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000501145838 1004233762 /nfs/dbraw/zinc/23/37/62/1004233762.db2.gz ZAWNYHLJXQMRCR-IBGZPJMESA-N 2 2 406.621 3.720 20 0 HHADLP CC(C)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCC(C)CC1 ZINC000501162928 1004245895 /nfs/dbraw/zinc/24/58/95/1004245895.db2.gz IMNTZORBQFUPJV-OAQYLSRUSA-N 2 2 401.599 3.628 20 0 HHADLP CCCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000512413558 1004281719 /nfs/dbraw/zinc/28/17/19/1004281719.db2.gz XPBDXUVAORDVRI-XZOQPEGZSA-N 2 2 421.589 3.747 20 0 HHADLP CCCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000512413558 1004281728 /nfs/dbraw/zinc/28/17/28/1004281728.db2.gz XPBDXUVAORDVRI-XZOQPEGZSA-N 2 2 421.589 3.747 20 0 HHADLP Fc1cc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443333 1004305242 /nfs/dbraw/zinc/30/52/42/1004305242.db2.gz AVAZASRDQYOLOQ-FQEVSTJZSA-N 2 2 417.956 3.750 20 0 HHADLP Fc1cc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1Cl ZINC000512443333 1004305253 /nfs/dbraw/zinc/30/52/53/1004305253.db2.gz AVAZASRDQYOLOQ-FQEVSTJZSA-N 2 2 417.956 3.750 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000512551159 1004379275 /nfs/dbraw/zinc/37/92/75/1004379275.db2.gz RDBZNKZPNZTEKK-GGAORHGYSA-N 2 2 421.585 3.549 20 0 HHADLP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000512551159 1004379290 /nfs/dbraw/zinc/37/92/90/1004379290.db2.gz RDBZNKZPNZTEKK-GGAORHGYSA-N 2 2 421.585 3.549 20 0 HHADLP CC(C)(C)n1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000512815052 1004576177 /nfs/dbraw/zinc/57/61/77/1004576177.db2.gz LACDULXYNIWENI-UHFFFAOYSA-N 2 2 423.527 3.959 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512816551 1004577169 /nfs/dbraw/zinc/57/71/69/1004577169.db2.gz VOXHLQKFPWKHHR-IRFCIJBXSA-N 2 2 414.594 3.854 20 0 HHADLP C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512816551 1004577185 /nfs/dbraw/zinc/57/71/85/1004577185.db2.gz VOXHLQKFPWKHHR-IRFCIJBXSA-N 2 2 414.594 3.854 20 0 HHADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512847879 1004611309 /nfs/dbraw/zinc/61/13/09/1004611309.db2.gz XBOJGCIDBIXMQQ-SFHVURJKSA-N 2 2 421.467 3.592 20 0 HHADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512847879 1004611314 /nfs/dbraw/zinc/61/13/14/1004611314.db2.gz XBOJGCIDBIXMQQ-SFHVURJKSA-N 2 2 421.467 3.592 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000501800966 1004743293 /nfs/dbraw/zinc/74/32/93/1004743293.db2.gz DBTCPBSMWJYADF-QFIPXVFZSA-N 2 2 421.589 3.703 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000501800966 1004743301 /nfs/dbraw/zinc/74/33/01/1004743301.db2.gz DBTCPBSMWJYADF-QFIPXVFZSA-N 2 2 421.589 3.703 20 0 HHADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501822261 1004758810 /nfs/dbraw/zinc/75/88/10/1004758810.db2.gz AGWUHOVKGPRBRU-HSZRJFAPSA-N 2 2 403.530 3.568 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513064698 1004787595 /nfs/dbraw/zinc/78/75/95/1004787595.db2.gz NYPLXVFERKNRQX-IEZKXTBUSA-N 2 2 405.586 3.863 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000513064698 1004787596 /nfs/dbraw/zinc/78/75/96/1004787596.db2.gz NYPLXVFERKNRQX-IEZKXTBUSA-N 2 2 405.586 3.863 20 0 HHADLP Brc1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000513227213 1004870849 /nfs/dbraw/zinc/87/08/49/1004870849.db2.gz OTOBJHIHZQUJKI-QGZVFWFLSA-N 2 2 401.352 3.681 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000510912665 1004928008 /nfs/dbraw/zinc/92/80/08/1004928008.db2.gz NEUPYVVRJTVGKE-QZTJIDSGSA-N 2 2 400.592 3.645 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000510912665 1004928010 /nfs/dbraw/zinc/92/80/10/1004928010.db2.gz NEUPYVVRJTVGKE-QZTJIDSGSA-N 2 2 400.592 3.645 20 0 HHADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936972 1004943598 /nfs/dbraw/zinc/94/35/98/1004943598.db2.gz XCBZZCVFERMGFA-RFLWCCGPSA-N 2 2 424.552 3.981 20 0 HHADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936972 1004943604 /nfs/dbraw/zinc/94/36/04/1004943604.db2.gz XCBZZCVFERMGFA-RFLWCCGPSA-N 2 2 424.552 3.981 20 0 HHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936978 1004943627 /nfs/dbraw/zinc/94/36/27/1004943627.db2.gz XCBZZCVFERMGFA-YMSRPXOMSA-N 2 2 424.552 3.981 20 0 HHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936978 1004943632 /nfs/dbraw/zinc/94/36/32/1004943632.db2.gz XCBZZCVFERMGFA-YMSRPXOMSA-N 2 2 424.552 3.981 20 0 HHADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510938537 1004944302 /nfs/dbraw/zinc/94/43/02/1004944302.db2.gz VYONIFCUMWRMGH-KHQYNDFOSA-N 2 2 422.013 3.999 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000513472802 1004981853 /nfs/dbraw/zinc/98/18/53/1004981853.db2.gz MIGLZFYPARLTIS-QFIPXVFZSA-N 2 2 414.981 3.526 20 0 HHADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)CC1 ZINC000513472802 1004981862 /nfs/dbraw/zinc/98/18/62/1004981862.db2.gz MIGLZFYPARLTIS-QFIPXVFZSA-N 2 2 414.981 3.526 20 0 HHADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314130 1005006763 /nfs/dbraw/zinc/00/67/63/1005006763.db2.gz YDIVCCKNDQWRMS-ZVDOUQERSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314130 1005006767 /nfs/dbraw/zinc/00/67/67/1005006767.db2.gz YDIVCCKNDQWRMS-ZVDOUQERSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@H]1CCCC[NH+]1CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314130 1005006770 /nfs/dbraw/zinc/00/67/70/1005006770.db2.gz YDIVCCKNDQWRMS-ZVDOUQERSA-N 2 2 402.583 3.682 20 0 HHADLP CC[C@H]1CCCC[NH+]1CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502314130 1005006773 /nfs/dbraw/zinc/00/67/73/1005006773.db2.gz YDIVCCKNDQWRMS-ZVDOUQERSA-N 2 2 402.583 3.682 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000511192401 1005068041 /nfs/dbraw/zinc/06/80/41/1005068041.db2.gz URCFIQRAQDYSDB-UYAOXDASSA-N 2 2 420.479 3.878 20 0 HHADLP CC(C)CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccoc1 ZINC000513702328 1005088961 /nfs/dbraw/zinc/08/89/61/1005088961.db2.gz HXXMDSACSNKMEP-RTWAWAEBSA-N 2 2 413.566 3.642 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272838 1005102275 /nfs/dbraw/zinc/10/22/75/1005102275.db2.gz KCOIINLXPNUREU-OALUTQOASA-N 2 2 420.601 3.996 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H]3CCC[NH+](C4CCC4)C3)c2C1 ZINC000511272838 1005102277 /nfs/dbraw/zinc/10/22/77/1005102277.db2.gz KCOIINLXPNUREU-OALUTQOASA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2C1 ZINC000511272838 1005102278 /nfs/dbraw/zinc/10/22/78/1005102278.db2.gz KCOIINLXPNUREU-OALUTQOASA-N 2 2 420.601 3.996 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2C1 ZINC000511272838 1005102280 /nfs/dbraw/zinc/10/22/80/1005102280.db2.gz KCOIINLXPNUREU-OALUTQOASA-N 2 2 420.601 3.996 20 0 HHADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000513892341 1005175902 /nfs/dbraw/zinc/17/59/02/1005175902.db2.gz XBVAILOILOZUAM-QFIPXVFZSA-N 2 2 407.493 3.648 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511646507 1005259963 /nfs/dbraw/zinc/25/99/63/1005259963.db2.gz ICBZJBAKUYUZNT-YADHBBJMSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)NC(C1CCC1)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511646507 1005259969 /nfs/dbraw/zinc/25/99/69/1005259969.db2.gz ICBZJBAKUYUZNT-YADHBBJMSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514226630 1005322005 /nfs/dbraw/zinc/32/20/05/1005322005.db2.gz KQCMLMVUMKBNPY-UHFFFAOYSA-N 2 2 423.479 3.998 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503063909 1005334208 /nfs/dbraw/zinc/33/42/08/1005334208.db2.gz OUSCBUQFGMKQOC-MDZRGWNJSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503063909 1005334212 /nfs/dbraw/zinc/33/42/12/1005334212.db2.gz OUSCBUQFGMKQOC-MDZRGWNJSA-N 2 2 419.367 3.576 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503066195 1005335116 /nfs/dbraw/zinc/33/51/16/1005335116.db2.gz ZDQAYZMZMHEXND-QDSKXPNFSA-N 2 2 402.542 3.866 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503066195 1005335123 /nfs/dbraw/zinc/33/51/23/1005335123.db2.gz ZDQAYZMZMHEXND-QDSKXPNFSA-N 2 2 402.542 3.866 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000511802644 1005336019 /nfs/dbraw/zinc/33/60/19/1005336019.db2.gz SCRVZZQRXURGIV-QHCPKHFHSA-N 2 2 402.542 3.962 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000511802644 1005336022 /nfs/dbraw/zinc/33/60/22/1005336022.db2.gz SCRVZZQRXURGIV-QHCPKHFHSA-N 2 2 402.542 3.962 20 0 HHADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503074787 1005339582 /nfs/dbraw/zinc/33/95/82/1005339582.db2.gz RYJTWUQZBFKNSR-OXJNMPFZSA-N 2 2 412.921 3.996 20 0 HHADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503074787 1005339589 /nfs/dbraw/zinc/33/95/89/1005339589.db2.gz RYJTWUQZBFKNSR-OXJNMPFZSA-N 2 2 412.921 3.996 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503076036 1005339894 /nfs/dbraw/zinc/33/98/94/1005339894.db2.gz VKSLVSDCIVUVQI-WTIAFYNJSA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503076036 1005339898 /nfs/dbraw/zinc/33/98/98/1005339898.db2.gz VKSLVSDCIVUVQI-WTIAFYNJSA-N 2 2 410.562 3.919 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077456 1005340786 /nfs/dbraw/zinc/34/07/86/1005340786.db2.gz YPAMVYCEZUVTLU-AXHZCLLHSA-N 2 2 420.557 3.975 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503077456 1005340791 /nfs/dbraw/zinc/34/07/91/1005340791.db2.gz YPAMVYCEZUVTLU-AXHZCLLHSA-N 2 2 420.557 3.975 20 0 HHADLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCCc2ccccc21 ZINC000503367137 1005399449 /nfs/dbraw/zinc/39/94/49/1005399449.db2.gz AANHZFSLMNXGNW-NZQKXSOJSA-N 2 2 406.574 3.935 20 0 HHADLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCCc2ccccc21 ZINC000503367137 1005399450 /nfs/dbraw/zinc/39/94/50/1005399450.db2.gz AANHZFSLMNXGNW-NZQKXSOJSA-N 2 2 406.574 3.935 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374116 1005401096 /nfs/dbraw/zinc/40/10/96/1005401096.db2.gz YVRZXAJZBKQKFD-MOPGFXCFSA-N 2 2 423.561 3.752 20 0 HHADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000503374116 1005401097 /nfs/dbraw/zinc/40/10/97/1005401097.db2.gz YVRZXAJZBKQKFD-MOPGFXCFSA-N 2 2 423.561 3.752 20 0 HHADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)ccc1C ZINC000503381835 1005403690 /nfs/dbraw/zinc/40/36/90/1005403690.db2.gz FSFJHFPGCYLYBF-GOSISDBHSA-N 2 2 407.518 3.966 20 0 HHADLP COc1cc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)ccc1C ZINC000503381835 1005403691 /nfs/dbraw/zinc/40/36/91/1005403691.db2.gz FSFJHFPGCYLYBF-GOSISDBHSA-N 2 2 407.518 3.966 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000503385684 1005404639 /nfs/dbraw/zinc/40/46/39/1005404639.db2.gz RXVGTLMRLWQDHB-HSZRJFAPSA-N 2 2 420.601 3.880 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000503385684 1005404641 /nfs/dbraw/zinc/40/46/41/1005404641.db2.gz RXVGTLMRLWQDHB-HSZRJFAPSA-N 2 2 420.601 3.880 20 0 HHADLP O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402934 1005409531 /nfs/dbraw/zinc/40/95/31/1005409531.db2.gz BQSFLCMDLNMPFK-YLJYHZDGSA-N 2 2 403.954 3.630 20 0 HHADLP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402934 1005409534 /nfs/dbraw/zinc/40/95/34/1005409534.db2.gz BQSFLCMDLNMPFK-YLJYHZDGSA-N 2 2 403.954 3.630 20 0 HHADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C2)CC1 ZINC000503440382 1005421106 /nfs/dbraw/zinc/42/11/06/1005421106.db2.gz DZWKPQPFAOTECC-JOCHJYFZSA-N 2 2 413.610 3.725 20 0 HHADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C2)CC1 ZINC000503440384 1005421159 /nfs/dbraw/zinc/42/11/59/1005421159.db2.gz DZWKPQPFAOTECC-QFIPXVFZSA-N 2 2 413.610 3.725 20 0 HHADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503473157 1005431352 /nfs/dbraw/zinc/43/13/52/1005431352.db2.gz VWGLGTICHCBFSE-QFIPXVFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503473157 1005431354 /nfs/dbraw/zinc/43/13/54/1005431354.db2.gz VWGLGTICHCBFSE-QFIPXVFZSA-N 2 2 404.514 3.705 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612295 1005465075 /nfs/dbraw/zinc/46/50/75/1005465075.db2.gz BJNNVWNNQLKZJQ-MAUKXSAKSA-N 2 2 423.483 3.528 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000503612295 1005465076 /nfs/dbraw/zinc/46/50/76/1005465076.db2.gz BJNNVWNNQLKZJQ-MAUKXSAKSA-N 2 2 423.483 3.528 20 0 HHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccccc1 ZINC000503736862 1005487560 /nfs/dbraw/zinc/48/75/60/1005487560.db2.gz KXCYOZCCRROIBA-OAQYLSRUSA-N 2 2 424.589 3.522 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531313276 1006112779 /nfs/dbraw/zinc/11/27/79/1006112779.db2.gz KUBYZNHUIFEOGS-UHFFFAOYSA-N 2 2 416.953 3.625 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000531313276 1006112785 /nfs/dbraw/zinc/11/27/85/1006112785.db2.gz KUBYZNHUIFEOGS-UHFFFAOYSA-N 2 2 416.953 3.625 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795219 1006130248 /nfs/dbraw/zinc/13/02/48/1006130248.db2.gz ZNWFMWVZRCMDMQ-OXJNMPFZSA-N 2 2 404.352 3.723 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000514795219 1006130251 /nfs/dbraw/zinc/13/02/51/1006130251.db2.gz ZNWFMWVZRCMDMQ-OXJNMPFZSA-N 2 2 404.352 3.723 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000534216705 1006212445 /nfs/dbraw/zinc/21/24/45/1006212445.db2.gz CAOCUJNRCJMVTO-XMMPIXPASA-N 2 2 408.590 3.553 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000534216705 1006212449 /nfs/dbraw/zinc/21/24/49/1006212449.db2.gz CAOCUJNRCJMVTO-XMMPIXPASA-N 2 2 408.590 3.553 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000534216704 1006212713 /nfs/dbraw/zinc/21/27/13/1006212713.db2.gz CAOCUJNRCJMVTO-DEOSSOPVSA-N 2 2 408.590 3.553 20 0 HHADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000534216704 1006212718 /nfs/dbraw/zinc/21/27/18/1006212718.db2.gz CAOCUJNRCJMVTO-DEOSSOPVSA-N 2 2 408.590 3.553 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236398 1006241799 /nfs/dbraw/zinc/24/17/99/1006241799.db2.gz VIGOEDJKGDLHHI-YLJYHZDGSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236398 1006241803 /nfs/dbraw/zinc/24/18/03/1006241803.db2.gz VIGOEDJKGDLHHI-YLJYHZDGSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236395 1006241868 /nfs/dbraw/zinc/24/18/68/1006241868.db2.gz VIGOEDJKGDLHHI-FXAWDEMLSA-N 2 2 421.948 3.756 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534236395 1006241873 /nfs/dbraw/zinc/24/18/73/1006241873.db2.gz VIGOEDJKGDLHHI-FXAWDEMLSA-N 2 2 421.948 3.756 20 0 HHADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)CC1 ZINC000515093212 1006284327 /nfs/dbraw/zinc/28/43/27/1006284327.db2.gz GDYTYXOTVZQKFD-UHFFFAOYSA-N 2 2 400.792 3.562 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360426 1006324388 /nfs/dbraw/zinc/32/43/88/1006324388.db2.gz MQSSDRSAIXLJRR-PMACEKPBSA-N 2 2 415.607 3.547 20 0 HHADLP CN(C(=O)c1cc(-c2cccs2)n[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360426 1006324399 /nfs/dbraw/zinc/32/43/99/1006324399.db2.gz MQSSDRSAIXLJRR-PMACEKPBSA-N 2 2 415.607 3.547 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360886 1006325435 /nfs/dbraw/zinc/32/54/35/1006325435.db2.gz RIHPKVAZWDZQOL-XZOQPEGZSA-N 2 2 415.622 3.812 20 0 HHADLP CC(C)Oc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360886 1006325439 /nfs/dbraw/zinc/32/54/39/1006325439.db2.gz RIHPKVAZWDZQOL-XZOQPEGZSA-N 2 2 415.622 3.812 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361721 1006327679 /nfs/dbraw/zinc/32/76/79/1006327679.db2.gz RMCVNEIOWRCFKF-XZOQPEGZSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361721 1006327692 /nfs/dbraw/zinc/32/76/92/1006327692.db2.gz RMCVNEIOWRCFKF-XZOQPEGZSA-N 2 2 419.585 3.780 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381965 1006353442 /nfs/dbraw/zinc/35/34/42/1006353442.db2.gz KRDVJWCAFNJUCA-NHCUHLMSSA-N 2 2 422.976 3.742 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534381965 1006353453 /nfs/dbraw/zinc/35/34/53/1006353453.db2.gz KRDVJWCAFNJUCA-NHCUHLMSSA-N 2 2 422.976 3.742 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384898 1006357860 /nfs/dbraw/zinc/35/78/60/1006357860.db2.gz RUKINWWAUZRUIP-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP Cc1cccc(CCNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534384898 1006357873 /nfs/dbraw/zinc/35/78/73/1006357873.db2.gz RUKINWWAUZRUIP-GOTSBHOMSA-N 2 2 400.611 3.516 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515385311 1006430250 /nfs/dbraw/zinc/43/02/50/1006430250.db2.gz WTUYYXNCHBMVBT-IBGZPJMESA-N 2 2 413.591 3.915 20 0 HHADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515385311 1006430257 /nfs/dbraw/zinc/43/02/57/1006430257.db2.gz WTUYYXNCHBMVBT-IBGZPJMESA-N 2 2 413.591 3.915 20 0 HHADLP CN(c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848345 1006468563 /nfs/dbraw/zinc/46/85/63/1006468563.db2.gz VXTBXACWJIWGMZ-RUZDIDTESA-N 3 2 406.618 3.971 20 0 HHADLP CN(c1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531848345 1006468571 /nfs/dbraw/zinc/46/85/71/1006468571.db2.gz VXTBXACWJIWGMZ-RUZDIDTESA-N 3 2 406.618 3.971 20 0 HHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)CCC2 ZINC000531988205 1006562451 /nfs/dbraw/zinc/56/24/51/1006562451.db2.gz MXEDHMFFZYBFPV-HIFRSBDPSA-N 2 2 410.440 3.974 20 0 HHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000532015469 1006577299 /nfs/dbraw/zinc/57/72/99/1006577299.db2.gz MTPHISISFDMYQO-JKSUJKDBSA-N 2 2 419.310 3.518 20 0 HHADLP CC1CC[NH+](Cc2ccc(NS(=O)(=O)c3ccccc3Cn3cc[nH+]c3)cc2)CC1 ZINC000515716193 1006613769 /nfs/dbraw/zinc/61/37/69/1006613769.db2.gz FIFVJWIEGVRRBJ-UHFFFAOYSA-N 2 2 424.570 3.964 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538352076 1006619033 /nfs/dbraw/zinc/61/90/33/1006619033.db2.gz QPVDVMAZKWPHJG-FGZHOGPDSA-N 2 2 420.573 3.836 20 0 HHADLP CN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538352076 1006619039 /nfs/dbraw/zinc/61/90/39/1006619039.db2.gz QPVDVMAZKWPHJG-FGZHOGPDSA-N 2 2 420.573 3.836 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352040 1006619234 /nfs/dbraw/zinc/61/92/34/1006619234.db2.gz OREDEORHZWONCB-SFTDATJTSA-N 2 2 412.582 3.672 20 0 HHADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2n[nH]cc21 ZINC000538352040 1006619237 /nfs/dbraw/zinc/61/92/37/1006619237.db2.gz OREDEORHZWONCB-SFTDATJTSA-N 2 2 412.582 3.672 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534714720 1006701676 /nfs/dbraw/zinc/70/16/76/1006701676.db2.gz ODRMOXWVGXMAPJ-XZOQPEGZSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534714720 1006701684 /nfs/dbraw/zinc/70/16/84/1006701684.db2.gz ODRMOXWVGXMAPJ-XZOQPEGZSA-N 2 2 412.553 3.783 20 0 HHADLP O=C1CCCN1C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000532192266 1006710968 /nfs/dbraw/zinc/71/09/68/1006710968.db2.gz DSVNDZWWJSBOMU-FQEVSTJZSA-N 2 2 409.496 3.833 20 0 HHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488035 1006757162 /nfs/dbraw/zinc/75/71/62/1006757162.db2.gz LOAFMOCCTQEWMJ-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488035 1006757173 /nfs/dbraw/zinc/75/71/73/1006757173.db2.gz LOAFMOCCTQEWMJ-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488035 1006757183 /nfs/dbraw/zinc/75/71/83/1006757183.db2.gz LOAFMOCCTQEWMJ-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000538488035 1006757196 /nfs/dbraw/zinc/75/71/96/1006757196.db2.gz LOAFMOCCTQEWMJ-QUCCMNQESA-N 2 2 411.512 3.860 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590760 1006857945 /nfs/dbraw/zinc/85/79/45/1006857945.db2.gz RVYHPXMLOFMHDP-YKSBVNFPSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538590760 1006857964 /nfs/dbraw/zinc/85/79/64/1006857964.db2.gz RVYHPXMLOFMHDP-YKSBVNFPSA-N 3 2 407.606 3.935 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441981 1006885723 /nfs/dbraw/zinc/88/57/23/1006885723.db2.gz TZQSFJGCHLOCND-AKIFATBCSA-N 3 2 412.647 3.679 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441981 1006885744 /nfs/dbraw/zinc/88/57/44/1006885744.db2.gz TZQSFJGCHLOCND-AKIFATBCSA-N 3 2 412.647 3.679 20 0 HHADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cn2)CC1 ZINC000532446979 1006889159 /nfs/dbraw/zinc/88/91/59/1006889159.db2.gz OSMXXSPWRCDHAI-LJQANCHMSA-N 3 2 404.562 3.568 20 0 HHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000532458275 1006899104 /nfs/dbraw/zinc/89/91/04/1006899104.db2.gz BFTGGRXTDCWGSS-OAHLLOKOSA-N 2 2 402.926 3.719 20 0 HHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000532479117 1006918401 /nfs/dbraw/zinc/91/84/01/1006918401.db2.gz AEMHPSSIDAAVQX-ZFWWWQNUSA-N 2 2 424.408 3.988 20 0 HHADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1Cl ZINC000532497307 1006939144 /nfs/dbraw/zinc/93/91/44/1006939144.db2.gz RUKWJJFCJAPMLD-UTKZUKDTSA-N 2 2 417.981 3.997 20 0 HHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CCC2 ZINC000532537005 1006971754 /nfs/dbraw/zinc/97/17/54/1006971754.db2.gz BCZCZQDWZBZAAG-DZGCQCFKSA-N 2 2 405.340 3.838 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942606 1006983038 /nfs/dbraw/zinc/98/30/38/1006983038.db2.gz RXDOCOXJLSZJSY-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP COc1c(F)cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000534942606 1006983045 /nfs/dbraw/zinc/98/30/45/1006983045.db2.gz RXDOCOXJLSZJSY-UXHICEINSA-N 2 2 424.536 3.774 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC000538724559 1007001142 /nfs/dbraw/zinc/00/11/42/1007001142.db2.gz PSLHDYPCIAOCGC-UHFFFAOYSA-N 2 2 401.986 3.516 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000538724108 1007002247 /nfs/dbraw/zinc/00/22/47/1007002247.db2.gz RUWAPDJOSCUNGW-UHFFFAOYSA-N 3 2 422.013 3.739 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000538724108 1007002256 /nfs/dbraw/zinc/00/22/56/1007002256.db2.gz RUWAPDJOSCUNGW-UHFFFAOYSA-N 3 2 422.013 3.739 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000538737552 1007019767 /nfs/dbraw/zinc/01/97/67/1007019767.db2.gz LYSILOYNGGMKPY-GOSISDBHSA-N 2 2 422.602 3.853 20 0 HHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000538737552 1007019778 /nfs/dbraw/zinc/01/97/78/1007019778.db2.gz LYSILOYNGGMKPY-GOSISDBHSA-N 2 2 422.602 3.853 20 0 HHADLP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)CC1 ZINC000538774112 1007056130 /nfs/dbraw/zinc/05/61/30/1007056130.db2.gz UISBPCKRWQYWTN-QFIPXVFZSA-N 2 2 407.562 3.756 20 0 HHADLP C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535007740 1007063838 /nfs/dbraw/zinc/06/38/38/1007063838.db2.gz VKUGVPMNUHRBBO-USXZWKKNSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000535007740 1007063845 /nfs/dbraw/zinc/06/38/45/1007063845.db2.gz VKUGVPMNUHRBBO-USXZWKKNSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535007740 1007063853 /nfs/dbraw/zinc/06/38/53/1007063853.db2.gz VKUGVPMNUHRBBO-USXZWKKNSA-N 4 2 414.682 3.664 20 0 HHADLP C(CC[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535007740 1007063865 /nfs/dbraw/zinc/06/38/65/1007063865.db2.gz VKUGVPMNUHRBBO-USXZWKKNSA-N 4 2 414.682 3.664 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094345 1007109282 /nfs/dbraw/zinc/10/92/82/1007109282.db2.gz GJNLFAGEBZPEDY-GOTSBHOMSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000535094345 1007109286 /nfs/dbraw/zinc/10/92/86/1007109286.db2.gz GJNLFAGEBZPEDY-GOTSBHOMSA-N 2 2 412.578 3.586 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095546 1007111417 /nfs/dbraw/zinc/11/14/17/1007111417.db2.gz OAEQIHZCODFNBM-RTBURBONSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095546 1007111422 /nfs/dbraw/zinc/11/14/22/1007111422.db2.gz OAEQIHZCODFNBM-RTBURBONSA-N 2 2 412.500 3.510 20 0 HHADLP CN(C(=O)C[C@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096982 1007114308 /nfs/dbraw/zinc/11/43/08/1007114308.db2.gz RANZGLRIHDUEMT-PTUXOGIPSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)C[C@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096982 1007114312 /nfs/dbraw/zinc/11/43/12/1007114312.db2.gz RANZGLRIHDUEMT-PTUXOGIPSA-N 2 2 413.606 3.738 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096261 1007114355 /nfs/dbraw/zinc/11/43/55/1007114355.db2.gz NEAOKKAQRLXDLL-LOSJGSFVSA-N 2 2 424.633 3.907 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096261 1007114362 /nfs/dbraw/zinc/11/43/62/1007114362.db2.gz NEAOKKAQRLXDLL-LOSJGSFVSA-N 2 2 424.633 3.907 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097404 1007115073 /nfs/dbraw/zinc/11/50/73/1007115073.db2.gz ZCSKUBQPRBRWRC-GOTSBHOMSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000535097404 1007115078 /nfs/dbraw/zinc/11/50/78/1007115078.db2.gz ZCSKUBQPRBRWRC-GOTSBHOMSA-N 2 2 417.642 3.647 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097615 1007116629 /nfs/dbraw/zinc/11/66/29/1007116629.db2.gz XABFLZAZVQNKBJ-ZEQRLZLVSA-N 2 2 410.606 3.814 20 0 HHADLP Cc1[nH]c2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097615 1007116644 /nfs/dbraw/zinc/11/66/44/1007116644.db2.gz XABFLZAZVQNKBJ-ZEQRLZLVSA-N 2 2 410.606 3.814 20 0 HHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)c2ccccc2)CC1 ZINC000538862341 1007138629 /nfs/dbraw/zinc/13/86/29/1007138629.db2.gz OISPHMAFYJBRHE-RUZDIDTESA-N 2 2 416.569 3.739 20 0 HHADLP CN(C(=O)N[C@H]1CCCc2occc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535112504 1007138857 /nfs/dbraw/zinc/13/88/57/1007138857.db2.gz QIKHPJUTQWSXJM-PWRODBHTSA-N 2 2 402.583 3.636 20 0 HHADLP CN(C(=O)N[C@H]1CCCc2occc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535112504 1007138861 /nfs/dbraw/zinc/13/88/61/1007138861.db2.gz QIKHPJUTQWSXJM-PWRODBHTSA-N 2 2 402.583 3.636 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535120057 1007152758 /nfs/dbraw/zinc/15/27/58/1007152758.db2.gz GEYMOTMJRYMOOE-SXDAZYNYSA-N 2 2 404.643 3.934 20 0 HHADLP CN(C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535120057 1007152762 /nfs/dbraw/zinc/15/27/62/1007152762.db2.gz GEYMOTMJRYMOOE-SXDAZYNYSA-N 2 2 404.643 3.934 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122525 1007156017 /nfs/dbraw/zinc/15/60/17/1007156017.db2.gz SYHKHVIQHGECFD-DBVUQKKJSA-N 2 2 421.655 3.745 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122525 1007156018 /nfs/dbraw/zinc/15/60/18/1007156018.db2.gz SYHKHVIQHGECFD-DBVUQKKJSA-N 2 2 421.655 3.745 20 0 HHADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000516639705 1007206949 /nfs/dbraw/zinc/20/69/49/1007206949.db2.gz QDJOAQBEJSUSPB-IAGOWNOFSA-N 2 2 416.484 3.675 20 0 HHADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535186441 1007232698 /nfs/dbraw/zinc/23/26/98/1007232698.db2.gz QJBRHSGBQXPMNZ-UHFFFAOYSA-N 2 2 420.344 3.804 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC[C@@H]4CCCO4)cc3)[nH+]c2)CC1 ZINC000532865901 1007252874 /nfs/dbraw/zinc/25/28/74/1007252874.db2.gz KNEMGWQYSLCPAY-QHCPKHFHSA-N 2 2 410.562 3.782 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000535256941 1007307505 /nfs/dbraw/zinc/30/75/05/1007307505.db2.gz GIYUMXIZTZZRRG-NRFANRHFSA-N 2 2 400.592 3.658 20 0 HHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000539045716 1007342779 /nfs/dbraw/zinc/34/27/79/1007342779.db2.gz FHPMACHXZDAOAG-HZPDHXFCSA-N 2 2 405.539 3.500 20 0 HHADLP CC(C)C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000539083093 1007372481 /nfs/dbraw/zinc/37/24/81/1007372481.db2.gz VXJPWVBKPOKPMA-RTBURBONSA-N 2 2 415.607 3.721 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115033 1007402244 /nfs/dbraw/zinc/40/22/44/1007402244.db2.gz ILIMXZSEPJHYOL-UXHICEINSA-N 2 2 410.965 3.788 20 0 HHADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000539115033 1007402249 /nfs/dbraw/zinc/40/22/49/1007402249.db2.gz ILIMXZSEPJHYOL-UXHICEINSA-N 2 2 410.965 3.788 20 0 HHADLP C[C@@H](c1cccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000517128740 1007442586 /nfs/dbraw/zinc/44/25/86/1007442586.db2.gz BEKWZAIJYZSKBY-NJYVYQBISA-N 2 2 416.610 3.959 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148326 1007444743 /nfs/dbraw/zinc/44/47/43/1007444743.db2.gz NKTXZZNDCJPWEI-VXKWHMMOSA-N 2 2 401.595 3.721 20 0 HHADLP COc1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000539148326 1007444751 /nfs/dbraw/zinc/44/47/51/1007444751.db2.gz NKTXZZNDCJPWEI-VXKWHMMOSA-N 2 2 401.595 3.721 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000535394762 1007460973 /nfs/dbraw/zinc/46/09/73/1007460973.db2.gz PMGOWOCHRHKFBX-SGNDLWITSA-N 2 2 417.557 3.986 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)c1 ZINC000535394762 1007460984 /nfs/dbraw/zinc/46/09/84/1007460984.db2.gz PMGOWOCHRHKFBX-SGNDLWITSA-N 2 2 417.557 3.986 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000539232018 1007526660 /nfs/dbraw/zinc/52/66/60/1007526660.db2.gz ATVXQLAYTUITRB-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000539232018 1007526667 /nfs/dbraw/zinc/52/66/67/1007526667.db2.gz ATVXQLAYTUITRB-UHFFFAOYSA-N 2 2 421.383 3.562 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502959 1007558926 /nfs/dbraw/zinc/55/89/26/1007558926.db2.gz AXQIQJRESZYWIC-AZUAARDMSA-N 2 2 418.994 3.504 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502959 1007558935 /nfs/dbraw/zinc/55/89/35/1007558935.db2.gz AXQIQJRESZYWIC-AZUAARDMSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502959 1007558946 /nfs/dbraw/zinc/55/89/46/1007558946.db2.gz AXQIQJRESZYWIC-AZUAARDMSA-N 2 2 418.994 3.504 20 0 HHADLP C[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000535502959 1007558957 /nfs/dbraw/zinc/55/89/57/1007558957.db2.gz AXQIQJRESZYWIC-AZUAARDMSA-N 2 2 418.994 3.504 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000535506004 1007561554 /nfs/dbraw/zinc/56/15/54/1007561554.db2.gz ACIAHSIEAXZAJO-FPOVZHCZSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000535506004 1007561563 /nfs/dbraw/zinc/56/15/63/1007561563.db2.gz ACIAHSIEAXZAJO-FPOVZHCZSA-N 2 2 419.338 3.802 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000533308270 1007625225 /nfs/dbraw/zinc/62/52/25/1007625225.db2.gz FVFBUQHDIILKRF-JOCHJYFZSA-N 2 2 422.573 3.518 20 0 HHADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000533308270 1007625240 /nfs/dbraw/zinc/62/52/40/1007625240.db2.gz FVFBUQHDIILKRF-JOCHJYFZSA-N 2 2 422.573 3.518 20 0 HHADLP CC[N@H+](Cc1occc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396357 1007708507 /nfs/dbraw/zinc/70/85/07/1007708507.db2.gz PVSVMYYLWDLNPR-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP CC[N@@H+](Cc1occc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533396357 1007708517 /nfs/dbraw/zinc/70/85/17/1007708517.db2.gz PVSVMYYLWDLNPR-UHFFFAOYSA-N 2 2 400.523 3.779 20 0 HHADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000517566048 1007773323 /nfs/dbraw/zinc/77/33/23/1007773323.db2.gz NLCTWRCQQVIRKP-JXFKEZNVSA-N 2 2 403.958 3.617 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3cccs3)c3ccc(Cl)cc3)cn2)CC1 ZINC000539491651 1007803512 /nfs/dbraw/zinc/80/35/12/1007803512.db2.gz WVMWSVMMFSNMMP-FQEVSTJZSA-N 2 2 413.978 3.823 20 0 HHADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000533496660 1007807807 /nfs/dbraw/zinc/80/78/07/1007807807.db2.gz SEGZMGQTFZTLGL-MRXNPFEDSA-N 2 2 423.513 3.938 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849286 1007862083 /nfs/dbraw/zinc/86/20/83/1007862083.db2.gz WSMITRFYTRWMFB-GOTSBHOMSA-N 2 2 414.569 3.645 20 0 HHADLP CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849286 1007862094 /nfs/dbraw/zinc/86/20/94/1007862094.db2.gz WSMITRFYTRWMFB-GOTSBHOMSA-N 2 2 414.569 3.645 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849586 1007862446 /nfs/dbraw/zinc/86/24/46/1007862446.db2.gz JKWHGMCJUWVQNC-OIBXWCBGSA-N 2 2 415.622 3.984 20 0 HHADLP COc1ccccc1[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849586 1007862449 /nfs/dbraw/zinc/86/24/49/1007862449.db2.gz JKWHGMCJUWVQNC-OIBXWCBGSA-N 2 2 415.622 3.984 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850563 1007863503 /nfs/dbraw/zinc/86/35/03/1007863503.db2.gz FZBKKADICXONAH-ZEQRLZLVSA-N 2 2 410.606 3.827 20 0 HHADLP CN(C(=O)CCn1ccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850563 1007863505 /nfs/dbraw/zinc/86/35/05/1007863505.db2.gz FZBKKADICXONAH-ZEQRLZLVSA-N 2 2 410.606 3.827 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850934 1007865236 /nfs/dbraw/zinc/86/52/36/1007865236.db2.gz WSTBBAGRRGGWBG-RTBURBONSA-N 2 2 422.017 3.663 20 0 HHADLP CC(C)c1ncc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000535850934 1007865244 /nfs/dbraw/zinc/86/52/44/1007865244.db2.gz WSTBBAGRRGGWBG-RTBURBONSA-N 2 2 422.017 3.663 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851727 1007865987 /nfs/dbraw/zinc/86/59/87/1007865987.db2.gz NKZJQRIUKHTGDH-HSQYWUDLSA-N 2 2 422.013 3.903 20 0 HHADLP C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851727 1007865996 /nfs/dbraw/zinc/86/59/96/1007865996.db2.gz NKZJQRIUKHTGDH-HSQYWUDLSA-N 2 2 422.013 3.903 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851527 1007866051 /nfs/dbraw/zinc/86/60/51/1007866051.db2.gz FBWWFGYLELMWCU-SJORKVTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851527 1007866061 /nfs/dbraw/zinc/86/60/61/1007866061.db2.gz FBWWFGYLELMWCU-SJORKVTESA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851966 1007866376 /nfs/dbraw/zinc/86/63/76/1007866376.db2.gz YRZFJYGRPVXVQJ-FCHUYYIVSA-N 2 2 419.585 3.780 20 0 HHADLP CN(C(=O)CCCOc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851966 1007866382 /nfs/dbraw/zinc/86/63/82/1007866382.db2.gz YRZFJYGRPVXVQJ-FCHUYYIVSA-N 2 2 419.585 3.780 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856919 1007872109 /nfs/dbraw/zinc/87/21/09/1007872109.db2.gz SGIZPSLVJOIRGG-VQTJNVASSA-N 2 2 423.001 3.543 20 0 HHADLP CCOc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000535856919 1007872112 /nfs/dbraw/zinc/87/21/12/1007872112.db2.gz SGIZPSLVJOIRGG-VQTJNVASSA-N 2 2 423.001 3.543 20 0 HHADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000533563041 1007874427 /nfs/dbraw/zinc/87/44/27/1007874427.db2.gz DUEWLVSYWSKVHR-HSZRJFAPSA-N 2 2 412.965 3.654 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535866396 1007882270 /nfs/dbraw/zinc/88/22/70/1007882270.db2.gz OANMYMGPGVSAHY-YADHBBJMSA-N 2 2 421.029 3.861 20 0 HHADLP CN(C(=O)NCCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535866396 1007882282 /nfs/dbraw/zinc/88/22/82/1007882282.db2.gz OANMYMGPGVSAHY-YADHBBJMSA-N 2 2 421.029 3.861 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590521 1007909625 /nfs/dbraw/zinc/90/96/25/1007909625.db2.gz NBWGILINMYPNCO-MOPGFXCFSA-N 2 2 407.628 3.897 20 0 HHADLP CCCc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000539590521 1007909643 /nfs/dbraw/zinc/90/96/43/1007909643.db2.gz NBWGILINMYPNCO-MOPGFXCFSA-N 2 2 407.628 3.897 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632043 1007937607 /nfs/dbraw/zinc/93/76/07/1007937607.db2.gz VZYJRVGDWQRQGD-FDDYUBGGSA-N 2 2 410.965 3.644 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533632043 1007937622 /nfs/dbraw/zinc/93/76/22/1007937622.db2.gz VZYJRVGDWQRQGD-FDDYUBGGSA-N 2 2 410.965 3.644 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647137 1007955679 /nfs/dbraw/zinc/95/56/79/1007955679.db2.gz BNRUJEVJUKCTQS-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP COc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647137 1007955688 /nfs/dbraw/zinc/95/56/88/1007955688.db2.gz BNRUJEVJUKCTQS-ZEQRLZLVSA-N 2 2 415.622 3.814 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649370 1007959510 /nfs/dbraw/zinc/95/95/10/1007959510.db2.gz WWYSVHXIEVXEAZ-VQTJNVASSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)COc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649370 1007959516 /nfs/dbraw/zinc/95/95/16/1007959516.db2.gz WWYSVHXIEVXEAZ-VQTJNVASSA-N 2 2 407.986 3.514 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649642 1007960515 /nfs/dbraw/zinc/96/05/15/1007960515.db2.gz PUTBXXKDHAOCHE-ZEQRLZLVSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649642 1007960528 /nfs/dbraw/zinc/96/05/28/1007960528.db2.gz PUTBXXKDHAOCHE-ZEQRLZLVSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)COC/C=C\c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649804 1007961455 /nfs/dbraw/zinc/96/14/55/1007961455.db2.gz XTMHUBVWWPKUMI-BEIWTYNISA-N 2 2 413.606 3.512 20 0 HHADLP CN(C(=O)COC/C=C\c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649804 1007961462 /nfs/dbraw/zinc/96/14/62/1007961462.db2.gz XTMHUBVWWPKUMI-BEIWTYNISA-N 2 2 413.606 3.512 20 0 HHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-n2cncn2)cc1Cl ZINC000539658914 1007975231 /nfs/dbraw/zinc/97/52/31/1007975231.db2.gz KAGLQZWFRIRHTO-MAUKXSAKSA-N 2 2 411.941 3.629 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533662783 1007978181 /nfs/dbraw/zinc/97/81/81/1007978181.db2.gz MUBMSJJESWQYRJ-DHIUTWEWSA-N 2 2 422.658 3.704 20 0 HHADLP CN(C(=O)NCCCOC1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533662783 1007978193 /nfs/dbraw/zinc/97/81/93/1007978193.db2.gz MUBMSJJESWQYRJ-DHIUTWEWSA-N 2 2 422.658 3.704 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669876 1007986177 /nfs/dbraw/zinc/98/61/77/1007986177.db2.gz FDHYDYCWKPIJSN-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669876 1007986195 /nfs/dbraw/zinc/98/61/95/1007986195.db2.gz FDHYDYCWKPIJSN-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669876 1007986199 /nfs/dbraw/zinc/98/61/99/1007986199.db2.gz FDHYDYCWKPIJSN-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533669876 1007986204 /nfs/dbraw/zinc/98/62/04/1007986204.db2.gz FDHYDYCWKPIJSN-RTWAWAEBSA-N 2 2 422.976 3.884 20 0 HHADLP C[NH+](C)C1CCN(c2ccc(NC3CCC4(CC3)c3ccccc3NC4=O)[nH+]c2)CC1 ZINC000539688641 1008008400 /nfs/dbraw/zinc/00/84/00/1008008400.db2.gz GCUNDSTVVKOBTD-UHFFFAOYSA-N 2 2 419.573 3.857 20 0 HHADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)[NH+]2CCCC2)cc1 ZINC000536015086 1008055908 /nfs/dbraw/zinc/05/59/08/1008055908.db2.gz UCOPNSHXKFEZDL-QFIPXVFZSA-N 2 2 412.603 3.721 20 0 HHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533808817 1008127072 /nfs/dbraw/zinc/12/70/72/1008127072.db2.gz PZQYKUMPHSMJIY-UHFFFAOYSA-N 2 2 412.603 3.761 20 0 HHADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851805 1008140406 /nfs/dbraw/zinc/14/04/06/1008140406.db2.gz DCEIHQPNZRWSOS-QGZVFWFLSA-N 2 2 403.368 3.943 20 0 HHADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000539851805 1008140410 /nfs/dbraw/zinc/14/04/10/1008140410.db2.gz DCEIHQPNZRWSOS-QGZVFWFLSA-N 2 2 403.368 3.943 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539912141 1008180703 /nfs/dbraw/zinc/18/07/03/1008180703.db2.gz LTZIOULHPXUIOI-SFTDATJTSA-N 2 2 406.640 3.659 20 0 HHADLP CN(C(=O)NCCCc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539912141 1008180707 /nfs/dbraw/zinc/18/07/07/1008180707.db2.gz LTZIOULHPXUIOI-SFTDATJTSA-N 2 2 406.640 3.659 20 0 HHADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000540150911 1008312658 /nfs/dbraw/zinc/31/26/58/1008312658.db2.gz ICBGRPLSZHKQBP-XMSQKQJNSA-N 2 2 412.559 3.500 20 0 HHADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000540150909 1008312828 /nfs/dbraw/zinc/31/28/28/1008312828.db2.gz ICBGRPLSZHKQBP-GCJKJVERSA-N 2 2 412.559 3.500 20 0 HHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000540177258 1008324122 /nfs/dbraw/zinc/32/41/22/1008324122.db2.gz AKOMDZGUTMESOW-RBUKOAKNSA-N 2 2 421.545 3.687 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241239 1008348977 /nfs/dbraw/zinc/34/89/77/1008348977.db2.gz RJRFNTKJHOPRCU-RYGJVYDSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241239 1008348979 /nfs/dbraw/zinc/34/89/79/1008348979.db2.gz RJRFNTKJHOPRCU-RYGJVYDSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241239 1008348981 /nfs/dbraw/zinc/34/89/81/1008348981.db2.gz RJRFNTKJHOPRCU-RYGJVYDSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241239 1008348985 /nfs/dbraw/zinc/34/89/85/1008348985.db2.gz RJRFNTKJHOPRCU-RYGJVYDSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241245 1008349409 /nfs/dbraw/zinc/34/94/09/1008349409.db2.gz RJRFNTKJHOPRCU-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241245 1008349411 /nfs/dbraw/zinc/34/94/11/1008349411.db2.gz RJRFNTKJHOPRCU-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241245 1008349414 /nfs/dbraw/zinc/34/94/14/1008349414.db2.gz RJRFNTKJHOPRCU-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540241245 1008349416 /nfs/dbraw/zinc/34/94/16/1008349416.db2.gz RJRFNTKJHOPRCU-UIAACRFSSA-N 2 2 410.965 3.644 20 0 HHADLP CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000540327836 1008381840 /nfs/dbraw/zinc/38/18/40/1008381840.db2.gz REFYBHJGMCEHNK-SFHVURJKSA-N 2 2 401.576 3.530 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000519033682 1008506574 /nfs/dbraw/zinc/50/65/74/1008506574.db2.gz YRNRSPJWJYEALJ-RUZDIDTESA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000519033682 1008506578 /nfs/dbraw/zinc/50/65/78/1008506578.db2.gz YRNRSPJWJYEALJ-RUZDIDTESA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000519033682 1008506580 /nfs/dbraw/zinc/50/65/80/1008506580.db2.gz YRNRSPJWJYEALJ-RUZDIDTESA-N 2 2 401.558 3.982 20 0 HHADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000519033682 1008506583 /nfs/dbraw/zinc/50/65/83/1008506583.db2.gz YRNRSPJWJYEALJ-RUZDIDTESA-N 2 2 401.558 3.982 20 0 HHADLP COc1ccccc1-n1nccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519041339 1008508767 /nfs/dbraw/zinc/50/87/67/1008508767.db2.gz MMAUNFNHFGNHDU-YADHBBJMSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519041339 1008508768 /nfs/dbraw/zinc/50/87/68/1008508768.db2.gz MMAUNFNHFGNHDU-YADHBBJMSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519041339 1008508771 /nfs/dbraw/zinc/50/87/71/1008508771.db2.gz MMAUNFNHFGNHDU-YADHBBJMSA-N 2 2 402.542 3.835 20 0 HHADLP COc1ccccc1-n1nccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519041339 1008508773 /nfs/dbraw/zinc/50/87/73/1008508773.db2.gz MMAUNFNHFGNHDU-YADHBBJMSA-N 2 2 402.542 3.835 20 0 HHADLP CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000548984625 1008562148 /nfs/dbraw/zinc/56/21/48/1008562148.db2.gz TWXYOOOAQWBSIR-OAQYLSRUSA-N 2 2 411.550 3.765 20 0 HHADLP CC(C)[N@H+](Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000548984625 1008562163 /nfs/dbraw/zinc/56/21/63/1008562163.db2.gz TWXYOOOAQWBSIR-OAQYLSRUSA-N 2 2 411.550 3.765 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543107206 1008680175 /nfs/dbraw/zinc/68/01/75/1008680175.db2.gz JQKDTOUOXCRUSW-VXKWHMMOSA-N 2 2 419.585 3.779 20 0 HHADLP CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543107206 1008680180 /nfs/dbraw/zinc/68/01/80/1008680180.db2.gz JQKDTOUOXCRUSW-VXKWHMMOSA-N 2 2 419.585 3.779 20 0 HHADLP Cc1cccc(Oc2ccccc2CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000519310039 1008721198 /nfs/dbraw/zinc/72/11/98/1008721198.db2.gz IFTMITRSXGLOGO-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP Cc1cccc(Oc2ccccc2CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000519310039 1008721205 /nfs/dbraw/zinc/72/12/05/1008721205.db2.gz IFTMITRSXGLOGO-UHFFFAOYSA-N 2 2 424.589 3.955 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000545913006 1008993649 /nfs/dbraw/zinc/99/36/49/1008993649.db2.gz LUCKXPUWBVQODW-FQEVSTJZSA-N 3 2 401.595 3.568 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000545913006 1008993659 /nfs/dbraw/zinc/99/36/59/1008993659.db2.gz LUCKXPUWBVQODW-FQEVSTJZSA-N 3 2 401.595 3.568 20 0 HHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000543403360 1008995483 /nfs/dbraw/zinc/99/54/83/1008995483.db2.gz COSQGQHLXXUXJC-AREMUKBSSA-N 2 2 407.602 3.931 20 0 HHADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545939566 1009009922 /nfs/dbraw/zinc/00/99/22/1009009922.db2.gz LEADMFTXHRSIMB-QWHCGFSZSA-N 2 2 404.527 3.863 20 0 HHADLP CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000543418436 1009010565 /nfs/dbraw/zinc/01/05/65/1009010565.db2.gz VEIHOQWEERDDQY-UHFFFAOYSA-N 2 2 421.585 3.512 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000519795290 1009013425 /nfs/dbraw/zinc/01/34/25/1009013425.db2.gz YJCGTDBGYMRGEO-UHFFFAOYSA-N 2 2 406.014 3.927 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000519795290 1009013444 /nfs/dbraw/zinc/01/34/44/1009013444.db2.gz YJCGTDBGYMRGEO-UHFFFAOYSA-N 2 2 406.014 3.927 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042568 1009066374 /nfs/dbraw/zinc/06/63/74/1009066374.db2.gz PCFVECLHXBQXIH-UXPWSPDFSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042568 1009066386 /nfs/dbraw/zinc/06/63/86/1009066386.db2.gz PCFVECLHXBQXIH-UXPWSPDFSA-N 2 2 421.655 3.534 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042567 1009066549 /nfs/dbraw/zinc/06/65/49/1009066549.db2.gz PCFVECLHXBQXIH-NSISKUIASA-N 2 2 421.655 3.534 20 0 HHADLP Cc1csc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000546042567 1009066565 /nfs/dbraw/zinc/06/65/65/1009066565.db2.gz PCFVECLHXBQXIH-NSISKUIASA-N 2 2 421.655 3.534 20 0 HHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546167221 1009199137 /nfs/dbraw/zinc/19/91/37/1009199137.db2.gz KAJLYCNPICOBCT-VQIMIIECSA-N 2 2 423.399 3.632 20 0 HHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn3cc(Br)cc(C)c3n2)[C@H](C)C1 ZINC000546167221 1009199147 /nfs/dbraw/zinc/19/91/47/1009199147.db2.gz KAJLYCNPICOBCT-VQIMIIECSA-N 2 2 423.399 3.632 20 0 HHADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176746 1009321440 /nfs/dbraw/zinc/32/14/40/1009321440.db2.gz GJKRIWSCTIZHIR-DHIUTWEWSA-N 2 2 409.599 3.557 20 0 HHADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520176746 1009321449 /nfs/dbraw/zinc/32/14/49/1009321449.db2.gz GJKRIWSCTIZHIR-DHIUTWEWSA-N 2 2 409.599 3.557 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881426 1009455778 /nfs/dbraw/zinc/45/57/78/1009455778.db2.gz JEZBWWIUWPOXBC-PAXLWEDBSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881426 1009455797 /nfs/dbraw/zinc/45/57/97/1009455797.db2.gz JEZBWWIUWPOXBC-PAXLWEDBSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881426 1009455803 /nfs/dbraw/zinc/45/58/03/1009455803.db2.gz JEZBWWIUWPOXBC-PAXLWEDBSA-N 2 2 424.511 3.555 20 0 HHADLP CC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543881426 1009455819 /nfs/dbraw/zinc/45/58/19/1009455819.db2.gz JEZBWWIUWPOXBC-PAXLWEDBSA-N 2 2 424.511 3.555 20 0 HHADLP CC[N@H+](Cc1nnc(C2CCC2)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543962320 1009565378 /nfs/dbraw/zinc/56/53/78/1009565378.db2.gz GGAZSOTXJHXVKM-UHFFFAOYSA-N 2 2 411.598 3.795 20 0 HHADLP CC[N@@H+](Cc1nnc(C2CCC2)n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543962320 1009565389 /nfs/dbraw/zinc/56/53/89/1009565389.db2.gz GGAZSOTXJHXVKM-UHFFFAOYSA-N 2 2 411.598 3.795 20 0 HHADLP CC(C)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCC(C)CC1 ZINC000543965390 1009568299 /nfs/dbraw/zinc/56/82/99/1009568299.db2.gz QTQFIRJEFJSULY-QFIPXVFZSA-N 2 2 403.615 3.841 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036022 1009636402 /nfs/dbraw/zinc/63/64/02/1009636402.db2.gz GKZJXXSRDYXCPW-YADHBBJMSA-N 2 2 419.635 3.583 20 0 HHADLP COc1cccc(SCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000544036022 1009636409 /nfs/dbraw/zinc/63/64/09/1009636409.db2.gz GKZJXXSRDYXCPW-YADHBBJMSA-N 2 2 419.635 3.583 20 0 HHADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(OC(F)(F)F)c1 ZINC000544172725 1009777516 /nfs/dbraw/zinc/77/75/16/1009777516.db2.gz AGLWSKGOGSYNFX-HNNXBMFYSA-N 2 2 411.449 3.773 20 0 HHADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000546871897 1009832808 /nfs/dbraw/zinc/83/28/08/1009832808.db2.gz FGSJWWMKYZIFMK-UHFFFAOYSA-N 2 2 419.367 3.629 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000550292440 1009838808 /nfs/dbraw/zinc/83/88/08/1009838808.db2.gz XIJJXHKITSROHA-QGZVFWFLSA-N 2 2 409.755 3.611 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000550292440 1009838831 /nfs/dbraw/zinc/83/88/31/1009838831.db2.gz XIJJXHKITSROHA-QGZVFWFLSA-N 2 2 409.755 3.611 20 0 HHADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520883071 1009938577 /nfs/dbraw/zinc/93/85/77/1009938577.db2.gz XWEHXKZHOFAYTR-PGRDOPGGSA-N 2 2 415.965 3.523 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351093 1009976997 /nfs/dbraw/zinc/97/69/97/1009976997.db2.gz KCPWPMAWOFALPB-BEFAXECRSA-N 2 2 403.368 3.854 20 0 HHADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000544351093 1009977002 /nfs/dbraw/zinc/97/70/02/1009977002.db2.gz KCPWPMAWOFALPB-BEFAXECRSA-N 2 2 403.368 3.854 20 0 HHADLP O=C1CC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360549 1009987154 /nfs/dbraw/zinc/98/71/54/1009987154.db2.gz LNFQCAUESYUXEY-QHCPKHFHSA-N 2 2 406.574 3.648 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000521163640 1010195071 /nfs/dbraw/zinc/19/50/71/1010195071.db2.gz XYFRTYWROZVBGK-LJQANCHMSA-N 2 2 410.965 3.616 20 0 HHADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000521163640 1010195081 /nfs/dbraw/zinc/19/50/81/1010195081.db2.gz XYFRTYWROZVBGK-LJQANCHMSA-N 2 2 410.965 3.616 20 0 HHADLP Cn1ccc([C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccc(Cl)cc2)n1 ZINC000544565700 1010195366 /nfs/dbraw/zinc/19/53/66/1010195366.db2.gz OEVHDUUPANAEMZ-QFIPXVFZSA-N 2 2 416.013 3.703 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000521222825 1010237392 /nfs/dbraw/zinc/23/73/92/1010237392.db2.gz TYEFTLJGCJTFDL-OALUTQOASA-N 2 2 402.583 3.634 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000521222825 1010237400 /nfs/dbraw/zinc/23/74/00/1010237400.db2.gz TYEFTLJGCJTFDL-OALUTQOASA-N 2 2 402.583 3.634 20 0 HHADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2=O)ccc1Br ZINC000547333722 1010257289 /nfs/dbraw/zinc/25/72/89/1010257289.db2.gz VYFBCHJZIVXPMZ-HXUWFJFHSA-N 2 2 420.395 3.717 20 0 HHADLP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511908 1010334654 /nfs/dbraw/zinc/33/46/54/1010334654.db2.gz BRZDQQKTRIDHEW-DOTOQJQBSA-N 2 2 403.452 3.748 20 0 HHADLP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511908 1010334674 /nfs/dbraw/zinc/33/46/74/1010334674.db2.gz BRZDQQKTRIDHEW-DOTOQJQBSA-N 2 2 403.452 3.748 20 0 HHADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000544756124 1010355721 /nfs/dbraw/zinc/35/57/21/1010355721.db2.gz CVOPJEFQFGEEKA-ZIAGYGMSSA-N 2 2 421.529 3.561 20 0 HHADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547763796 1010417950 /nfs/dbraw/zinc/41/79/50/1010417950.db2.gz MARGXDRKUFISRY-QFIPXVFZSA-N 2 2 421.585 3.646 20 0 HHADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521689167 1010552964 /nfs/dbraw/zinc/55/29/64/1010552964.db2.gz QFMKXTVFQVKGQT-UHFFFAOYSA-N 2 2 421.372 3.949 20 0 HHADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521689167 1010552972 /nfs/dbraw/zinc/55/29/72/1010552972.db2.gz QFMKXTVFQVKGQT-UHFFFAOYSA-N 2 2 421.372 3.949 20 0 HHADLP COc1c(Br)cccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548477842 1010639692 /nfs/dbraw/zinc/63/96/92/1010639692.db2.gz GJDNYKZKHXYPLL-FQEVSTJZSA-N 2 2 418.379 3.536 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484506 1010642522 /nfs/dbraw/zinc/64/25/22/1010642522.db2.gz GQABLTUGRRKTJX-YADHBBJMSA-N 2 2 418.582 3.505 20 0 HHADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000548484506 1010642534 /nfs/dbraw/zinc/64/25/34/1010642534.db2.gz GQABLTUGRRKTJX-YADHBBJMSA-N 2 2 418.582 3.505 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521838310 1010650538 /nfs/dbraw/zinc/65/05/38/1010650538.db2.gz FJXVONSJLNMAMD-HSZRJFAPSA-N 2 2 411.615 3.933 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521838310 1010650551 /nfs/dbraw/zinc/65/05/51/1010650551.db2.gz FJXVONSJLNMAMD-HSZRJFAPSA-N 2 2 411.615 3.933 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521877494 1010681404 /nfs/dbraw/zinc/68/14/04/1010681404.db2.gz ZVPOICTYZYCSEI-OAQYLSRUSA-N 2 2 404.514 3.813 20 0 HHADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000521877494 1010681419 /nfs/dbraw/zinc/68/14/19/1010681419.db2.gz ZVPOICTYZYCSEI-OAQYLSRUSA-N 2 2 404.514 3.813 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919630 1010710905 /nfs/dbraw/zinc/71/09/05/1010710905.db2.gz TVAOQTKNYNKSCF-GBXCKJPGSA-N 2 2 421.585 3.785 20 0 HHADLP COc1ccccc1[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000521919630 1010710911 /nfs/dbraw/zinc/71/09/11/1010710911.db2.gz TVAOQTKNYNKSCF-GBXCKJPGSA-N 2 2 421.585 3.785 20 0 HHADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000545398021 1010772561 /nfs/dbraw/zinc/77/25/61/1010772561.db2.gz SYUBWPPPQUSBFL-NRFANRHFSA-N 2 2 414.981 3.821 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536299742 1011487771 /nfs/dbraw/zinc/48/77/71/1011487771.db2.gz TYUMEBBHYFQKRA-QUCCMNQESA-N 2 2 401.942 3.672 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000536299742 1011487780 /nfs/dbraw/zinc/48/77/80/1011487780.db2.gz TYUMEBBHYFQKRA-QUCCMNQESA-N 2 2 401.942 3.672 20 0 HHADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178392 1011850603 /nfs/dbraw/zinc/85/06/03/1011850603.db2.gz BYYBBUMKUIKOAZ-UHFFFAOYSA-N 2 2 409.578 3.533 20 0 HHADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541178392 1011850619 /nfs/dbraw/zinc/85/06/19/1011850619.db2.gz BYYBBUMKUIKOAZ-UHFFFAOYSA-N 2 2 409.578 3.533 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541185033 1011858289 /nfs/dbraw/zinc/85/82/89/1011858289.db2.gz RTSNTAMTWLZVAE-ZJSXRUAMSA-N 2 2 423.605 3.996 20 0 HHADLP C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541185033 1011858304 /nfs/dbraw/zinc/85/83/04/1011858304.db2.gz RTSNTAMTWLZVAE-ZJSXRUAMSA-N 2 2 423.605 3.996 20 0 HHADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(Br)cc1 ZINC000541203838 1011875263 /nfs/dbraw/zinc/87/52/63/1011875263.db2.gz HVCPUHGVBQONMQ-UHFFFAOYSA-N 2 2 405.340 3.777 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816541 1011974292 /nfs/dbraw/zinc/97/42/92/1011974292.db2.gz AIHGUBAWHWXGLF-CPJSRVTESA-N 3 2 408.590 3.555 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551816541 1011974298 /nfs/dbraw/zinc/97/42/98/1011974298.db2.gz AIHGUBAWHWXGLF-CPJSRVTESA-N 3 2 408.590 3.555 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536807257 1012031417 /nfs/dbraw/zinc/03/14/17/1012031417.db2.gz PZBBKDJMZILWGN-IBGZPJMESA-N 2 2 424.570 3.898 20 0 HHADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000536835802 1012066239 /nfs/dbraw/zinc/06/62/39/1012066239.db2.gz NTURNNPSYSWKMR-NRFANRHFSA-N 2 2 403.364 3.779 20 0 HHADLP CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000552051135 1012069770 /nfs/dbraw/zinc/06/97/70/1012069770.db2.gz JTQDTGVHZYLJOV-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000552051135 1012069781 /nfs/dbraw/zinc/06/97/81/1012069781.db2.gz JTQDTGVHZYLJOV-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000536842814 1012071958 /nfs/dbraw/zinc/07/19/58/1012071958.db2.gz AXZGJIMMIGFNBC-UFYCRDLUSA-N 2 2 400.485 3.750 20 0 HHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C(F)(F)F)c1 ZINC000536842816 1012072814 /nfs/dbraw/zinc/07/28/14/1012072814.db2.gz AXZGJIMMIGFNBC-ZCNNSNEGSA-N 2 2 400.485 3.750 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057907 1012074847 /nfs/dbraw/zinc/07/48/47/1012074847.db2.gz MJTPEAVEYGAADN-GOTSBHOMSA-N 2 2 408.030 3.736 20 0 HHADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000536852808 1012084240 /nfs/dbraw/zinc/08/42/40/1012084240.db2.gz OQMBEZQMBXWKLA-ISKFKSNPSA-N 2 2 413.512 3.533 20 0 HHADLP C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000536866529 1012103156 /nfs/dbraw/zinc/10/31/56/1012103156.db2.gz VSLOGSIJEGIFJP-LJQANCHMSA-N 2 2 424.570 3.624 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867447 1012105054 /nfs/dbraw/zinc/10/50/54/1012105054.db2.gz BWSNNNDEBTUCLT-OXJNMPFZSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867447 1012105061 /nfs/dbraw/zinc/10/50/61/1012105061.db2.gz BWSNNNDEBTUCLT-OXJNMPFZSA-N 2 2 411.937 3.828 20 0 HHADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000536867020 1012105522 /nfs/dbraw/zinc/10/55/22/1012105522.db2.gz AZCDQTRFCVKWTC-XPWALMASSA-N 2 2 421.589 3.516 20 0 HHADLP Brc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000536877422 1012121740 /nfs/dbraw/zinc/12/17/40/1012121740.db2.gz OUEJSBAOTGVIQV-QGZVFWFLSA-N 2 2 415.379 3.929 20 0 HHADLP C[NH+](C)CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000552114456 1012131839 /nfs/dbraw/zinc/13/18/39/1012131839.db2.gz KSMWFSVKJQSGBQ-UHFFFAOYSA-N 2 2 403.567 3.930 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000523592019 1012148656 /nfs/dbraw/zinc/14/86/56/1012148656.db2.gz MNIGZIQATIAKHU-UXHICEINSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000523592019 1012148666 /nfs/dbraw/zinc/14/86/66/1012148666.db2.gz MNIGZIQATIAKHU-UXHICEINSA-N 2 2 410.562 3.722 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000536949263 1012251156 /nfs/dbraw/zinc/25/11/56/1012251156.db2.gz VHCPLDWWVRVUFM-KRWDZBQOSA-N 2 2 411.981 3.825 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000536949263 1012251171 /nfs/dbraw/zinc/25/11/71/1012251171.db2.gz VHCPLDWWVRVUFM-KRWDZBQOSA-N 2 2 411.981 3.825 20 0 HHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000537020736 1012327342 /nfs/dbraw/zinc/32/73/42/1012327342.db2.gz MCDJJRGSUFOOSV-UHFFFAOYSA-N 2 2 423.586 3.774 20 0 HHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000537020736 1012327358 /nfs/dbraw/zinc/32/73/58/1012327358.db2.gz MCDJJRGSUFOOSV-UHFFFAOYSA-N 2 2 423.586 3.774 20 0 HHADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1F ZINC000552336779 1012348028 /nfs/dbraw/zinc/34/80/28/1012348028.db2.gz JHXAFZVNNYNKMC-VLVMJKEHSA-N 2 2 417.569 3.534 20 0 HHADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1F ZINC000552336779 1012348046 /nfs/dbraw/zinc/34/80/46/1012348046.db2.gz JHXAFZVNNYNKMC-VLVMJKEHSA-N 2 2 417.569 3.534 20 0 HHADLP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c4c(Br)cccc34)CC2)CC1 ZINC000541592929 1012384779 /nfs/dbraw/zinc/38/47/79/1012384779.db2.gz INEJMUBALFRXEJ-UHFFFAOYSA-N 2 2 417.395 3.851 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000541626049 1012437448 /nfs/dbraw/zinc/43/74/48/1012437448.db2.gz QRAJUYLGDSLTFG-GOSISDBHSA-N 2 2 421.994 3.591 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)c2)cc[nH+]1 ZINC000541646604 1012467875 /nfs/dbraw/zinc/46/78/75/1012467875.db2.gz SHZKHCIQZKDMKD-HSZRJFAPSA-N 2 2 415.541 3.964 20 0 HHADLP Cc1ccccc1C1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000541702959 1012551806 /nfs/dbraw/zinc/55/18/06/1012551806.db2.gz AYVWGIOFGWNSHD-UHFFFAOYSA-N 2 2 407.558 3.645 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724168 1012574594 /nfs/dbraw/zinc/57/45/94/1012574594.db2.gz WQGQJMWELPEYJJ-FDDCHVKYSA-N 2 2 415.541 3.790 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000541724168 1012574607 /nfs/dbraw/zinc/57/46/07/1012574607.db2.gz WQGQJMWELPEYJJ-FDDCHVKYSA-N 2 2 415.541 3.790 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000537189675 1012602692 /nfs/dbraw/zinc/60/26/92/1012602692.db2.gz ZTQZPXMKEPDRJF-DNQXCXABSA-N 2 2 410.606 3.896 20 0 HHADLP CN(C(=O)CCc1ccc2[nH]ccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537189675 1012602706 /nfs/dbraw/zinc/60/27/06/1012602706.db2.gz ZTQZPXMKEPDRJF-DNQXCXABSA-N 2 2 410.606 3.896 20 0 HHADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)CC1 ZINC000541773806 1012640074 /nfs/dbraw/zinc/64/00/74/1012640074.db2.gz NLLPAFMIVZRUPS-UHFFFAOYSA-N 2 2 417.491 3.757 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238391 1012677595 /nfs/dbraw/zinc/67/75/95/1012677595.db2.gz WEHPEVAMZBOCSX-LEWJYISDSA-N 2 2 413.566 3.937 20 0 HHADLP Cc1nc2ccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000537238391 1012677602 /nfs/dbraw/zinc/67/76/02/1012677602.db2.gz WEHPEVAMZBOCSX-LEWJYISDSA-N 2 2 413.566 3.937 20 0 HHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801499 1012679453 /nfs/dbraw/zinc/67/94/53/1012679453.db2.gz YZOVMKGPEGCGDS-GIVPXCGWSA-N 2 2 419.491 3.775 20 0 HHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541801499 1012679458 /nfs/dbraw/zinc/67/94/58/1012679458.db2.gz YZOVMKGPEGCGDS-GIVPXCGWSA-N 2 2 419.491 3.775 20 0 HHADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C[C@H](C)O1 ZINC000553026044 1013002146 /nfs/dbraw/zinc/00/21/46/1013002146.db2.gz YTWKANOBYLDQBS-ROUUACIJSA-N 2 2 417.525 3.571 20 0 HHADLP C[C@@H]([NH2+]C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOCC1)c1ccccc1 ZINC000524233063 1013043545 /nfs/dbraw/zinc/04/35/45/1013043545.db2.gz BNYXJOGACUYHTB-LJQANCHMSA-N 2 2 404.514 3.502 20 0 HHADLP c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000904497999 1071794513 /nfs/dbraw/zinc/79/45/13/1071794513.db2.gz VADTYAGBZFXPHB-JOCHJYFZSA-N 2 2 404.514 3.558 20 0 HHADLP c1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000904497999 1071794515 /nfs/dbraw/zinc/79/45/15/1071794515.db2.gz VADTYAGBZFXPHB-JOCHJYFZSA-N 2 2 404.514 3.558 20 0 HHADLP c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683760 1071805216 /nfs/dbraw/zinc/80/52/16/1071805216.db2.gz ZZFLOPKKFWNJGK-RPWUZVMVSA-N 2 2 402.542 3.551 20 0 HHADLP c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000729683760 1071805231 /nfs/dbraw/zinc/80/52/31/1071805231.db2.gz ZZFLOPKKFWNJGK-RPWUZVMVSA-N 2 2 402.542 3.551 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+](Cn3nccc3-c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000760286561 1072182946 /nfs/dbraw/zinc/18/29/46/1072182946.db2.gz VAUVCQWJUJFFCZ-UHFFFAOYSA-N 2 2 419.976 3.791 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555197733 1073250746 /nfs/dbraw/zinc/25/07/46/1073250746.db2.gz FGCCZQBLDWRNCJ-DLBZAZTESA-N 2 2 406.537 3.554 20 0 HHADLP CN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555197733 1073250749 /nfs/dbraw/zinc/25/07/49/1073250749.db2.gz FGCCZQBLDWRNCJ-DLBZAZTESA-N 2 2 406.537 3.554 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249915 1073279258 /nfs/dbraw/zinc/27/92/58/1073279258.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249915 1073279259 /nfs/dbraw/zinc/27/92/59/1073279259.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 3 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H](N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249915 1073279265 /nfs/dbraw/zinc/27/92/65/1073279265.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 2 2 406.618 3.618 20 0 HHADLP C[C@@H]1C[C@@H](N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249915 1073279275 /nfs/dbraw/zinc/27/92/75/1073279275.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 2 2 406.618 3.618 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590853311 1074018534 /nfs/dbraw/zinc/01/85/34/1074018534.db2.gz ZDPUTJXBMOUUOX-PMACEKPBSA-N 2 2 401.942 3.720 20 0 HHADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000591524549 1074366722 /nfs/dbraw/zinc/36/67/22/1074366722.db2.gz WJZPVRVIQRVFCX-OAQYLSRUSA-N 2 2 422.573 3.738 20 0 HHADLP C[C@H](CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000591616430 1074443455 /nfs/dbraw/zinc/44/34/55/1074443455.db2.gz LVVLVALRMFWQIK-MRXNPFEDSA-N 2 2 421.948 3.760 20 0 HHADLP C[C@H](CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[N@@H+](C)C1CC1 ZINC000591616430 1074443460 /nfs/dbraw/zinc/44/34/60/1074443460.db2.gz LVVLVALRMFWQIK-MRXNPFEDSA-N 2 2 421.948 3.760 20 0 HHADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3c4ccccc4CC34CCOCC4)CC2)cc1 ZINC000573732195 1074639374 /nfs/dbraw/zinc/63/93/74/1074639374.db2.gz RYGCNKKQSXYZAU-VWLOTQADSA-N 2 2 405.586 3.883 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292604 1075189427 /nfs/dbraw/zinc/18/94/27/1075189427.db2.gz JAIFQHQSKSYPRM-PGRDOPGGSA-N 2 2 406.530 3.729 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000593292604 1075189429 /nfs/dbraw/zinc/18/94/29/1075189429.db2.gz JAIFQHQSKSYPRM-PGRDOPGGSA-N 2 2 406.530 3.729 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000593292520 1075189939 /nfs/dbraw/zinc/18/99/39/1075189939.db2.gz CTWRYHWPZLZBJR-XXBNENTESA-N 2 2 406.555 3.756 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000593292520 1075189942 /nfs/dbraw/zinc/18/99/42/1075189942.db2.gz CTWRYHWPZLZBJR-XXBNENTESA-N 2 2 406.555 3.756 20 0 HHADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000761125524 1075505976 /nfs/dbraw/zinc/50/59/76/1075505976.db2.gz ZCMVLVKFPCFCKQ-FQEVSTJZSA-N 2 2 414.638 3.802 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472720 1075618215 /nfs/dbraw/zinc/61/82/15/1075618215.db2.gz PTGMGTRGCMUOBH-OAQYLSRUSA-N 2 2 413.512 3.872 20 0 HHADLP CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472720 1075618216 /nfs/dbraw/zinc/61/82/16/1075618216.db2.gz PTGMGTRGCMUOBH-OAQYLSRUSA-N 2 2 413.512 3.872 20 0 HHADLP CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478184 1075620481 /nfs/dbraw/zinc/62/04/81/1075620481.db2.gz XIOPNOCPRUENSP-KRWDZBQOSA-N 2 2 401.938 3.841 20 0 HHADLP CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478184 1075620482 /nfs/dbraw/zinc/62/04/82/1075620482.db2.gz XIOPNOCPRUENSP-KRWDZBQOSA-N 2 2 401.938 3.841 20 0 HHADLP CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478185 1075620555 /nfs/dbraw/zinc/62/05/55/1075620555.db2.gz XIOPNOCPRUENSP-QGZVFWFLSA-N 2 2 401.938 3.841 20 0 HHADLP CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478185 1075620557 /nfs/dbraw/zinc/62/05/57/1075620557.db2.gz XIOPNOCPRUENSP-QGZVFWFLSA-N 2 2 401.938 3.841 20 0 HHADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478752 1075621461 /nfs/dbraw/zinc/62/14/61/1075621461.db2.gz GONLIBAOOORYPO-RBBKRZOGSA-N 2 2 401.595 3.594 20 0 HHADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478752 1075621464 /nfs/dbraw/zinc/62/14/64/1075621464.db2.gz GONLIBAOOORYPO-RBBKRZOGSA-N 2 2 401.595 3.594 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)C2)CC1 ZINC000602204188 1075712466 /nfs/dbraw/zinc/71/24/66/1075712466.db2.gz TZOKDDKWEGMLQQ-IBGZPJMESA-N 2 2 423.523 3.802 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)C2)CC1 ZINC000602204188 1075712476 /nfs/dbraw/zinc/71/24/76/1075712476.db2.gz TZOKDDKWEGMLQQ-IBGZPJMESA-N 2 2 423.523 3.802 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(CSc4ccccc4)cc3)C2)CC1 ZINC000602205172 1075713256 /nfs/dbraw/zinc/71/32/56/1075713256.db2.gz TZGGFCRBQBOLNX-NRFANRHFSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(CSc4ccccc4)cc3)C2)CC1 ZINC000602205172 1075713259 /nfs/dbraw/zinc/71/32/59/1075713259.db2.gz TZGGFCRBQBOLNX-NRFANRHFSA-N 2 2 409.599 3.877 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2)CC1 ZINC000602195444 1075716468 /nfs/dbraw/zinc/71/64/68/1075716468.db2.gz MOJGTQYYPYEVIX-HXUWFJFHSA-N 2 2 403.998 3.827 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2)CC1 ZINC000602195444 1075716479 /nfs/dbraw/zinc/71/64/79/1075716479.db2.gz MOJGTQYYPYEVIX-HXUWFJFHSA-N 2 2 403.998 3.827 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000602201263 1075717611 /nfs/dbraw/zinc/71/76/11/1075717611.db2.gz LOYDGPFJBJWLLN-IBGZPJMESA-N 2 2 424.614 3.748 20 0 HHADLP Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000602201263 1075717616 /nfs/dbraw/zinc/71/76/16/1075717616.db2.gz LOYDGPFJBJWLLN-IBGZPJMESA-N 2 2 424.614 3.748 20 0 HHADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC2)CC1 ZINC001164616974 719028495 /nfs/dbraw/zinc/02/84/95/719028495.db2.gz GOTZHWGYJUVDDT-UHFFFAOYSA-N 2 2 411.546 3.796 20 0 HHADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164648398 719312154 /nfs/dbraw/zinc/31/21/54/719312154.db2.gz JZVRSMVBUYUOIL-UHFFFAOYSA-N 2 2 417.001 3.733 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1NC(C)C ZINC001164702242 719886303 /nfs/dbraw/zinc/88/63/03/719886303.db2.gz POWOPIFMGQZLIY-UHFFFAOYSA-N 2 2 401.580 3.538 20 0 HHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1NC(C)C ZINC001164702242 719886307 /nfs/dbraw/zinc/88/63/07/719886307.db2.gz POWOPIFMGQZLIY-UHFFFAOYSA-N 2 2 401.580 3.538 20 0 HHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164710841 720146582 /nfs/dbraw/zinc/14/65/82/720146582.db2.gz DQISKBXFTKWDFA-OAQYLSRUSA-N 2 2 407.562 3.565 20 0 HHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)[nH+]c(C3CC3)n1)CC2 ZINC001164710841 720146588 /nfs/dbraw/zinc/14/65/88/720146588.db2.gz DQISKBXFTKWDFA-OAQYLSRUSA-N 2 2 407.562 3.565 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2cc1F ZINC001164841370 720641588 /nfs/dbraw/zinc/64/15/88/720641588.db2.gz SFEMGQMQACPHAE-NNMXDRDESA-N 2 2 423.536 3.957 20 0 HHADLP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1F ZINC001164841370 720641595 /nfs/dbraw/zinc/64/15/95/720641595.db2.gz SFEMGQMQACPHAE-NNMXDRDESA-N 2 2 423.536 3.957 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164758611 720983225 /nfs/dbraw/zinc/98/32/25/720983225.db2.gz WRUOUHIPTULDOP-NFBKMPQASA-N 2 2 409.578 3.888 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164758611 720983238 /nfs/dbraw/zinc/98/32/38/720983238.db2.gz WRUOUHIPTULDOP-NFBKMPQASA-N 2 2 409.578 3.888 20 0 HHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164795987 721500279 /nfs/dbraw/zinc/50/02/79/721500279.db2.gz OJADQNNFDPCMNN-UHFFFAOYSA-N 2 2 406.578 3.743 20 0 HHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164795987 721500285 /nfs/dbraw/zinc/50/02/85/721500285.db2.gz OJADQNNFDPCMNN-UHFFFAOYSA-N 2 2 406.578 3.743 20 0 HHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164795987 721500292 /nfs/dbraw/zinc/50/02/92/721500292.db2.gz OJADQNNFDPCMNN-UHFFFAOYSA-N 2 2 406.578 3.743 20 0 HHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164795987 721500302 /nfs/dbraw/zinc/50/03/02/721500302.db2.gz OJADQNNFDPCMNN-UHFFFAOYSA-N 2 2 406.578 3.743 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996147 722211901 /nfs/dbraw/zinc/21/19/01/722211901.db2.gz MBTCKJWXATXDDE-RUZDIDTESA-N 3 2 424.564 3.939 20 0 HHADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996147 722211905 /nfs/dbraw/zinc/21/19/05/722211905.db2.gz MBTCKJWXATXDDE-RUZDIDTESA-N 3 2 424.564 3.939 20 0 HHADLP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542113755 1013047869 /nfs/dbraw/zinc/04/78/69/1013047869.db2.gz ZYXXKKCEKOHJKH-XMMPIXPASA-N 2 2 423.605 3.650 20 0 HHADLP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542113755 1013047883 /nfs/dbraw/zinc/04/78/83/1013047883.db2.gz ZYXXKKCEKOHJKH-XMMPIXPASA-N 2 2 423.605 3.650 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1 ZINC000301295032 970854569 /nfs/dbraw/zinc/85/45/69/970854569.db2.gz VLWMTUIJNXXYQG-UHFFFAOYSA-N 2 2 408.477 3.647 20 0 HHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc4nnc(C(F)(F)F)n4n3)cc2)CC1 ZINC000301343401 970877758 /nfs/dbraw/zinc/87/77/58/970877758.db2.gz FWHNDXBHWKTTSC-UHFFFAOYSA-N 2 2 419.455 3.665 20 0 HHADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc(OC)c1OC ZINC000301590232 970992798 /nfs/dbraw/zinc/99/27/98/970992798.db2.gz QIPOJQPBHNAEIF-UHFFFAOYSA-N 2 2 411.477 3.722 20 0 HHADLP C[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)CC1 ZINC000301764513 971057875 /nfs/dbraw/zinc/05/78/75/971057875.db2.gz AUBQXNHHVRIONN-UHFFFAOYSA-N 2 2 420.479 3.634 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000553095381 1013061466 /nfs/dbraw/zinc/06/14/66/1013061466.db2.gz TZIKNWHFPGBCCU-UHFFFAOYSA-N 2 2 411.546 3.998 20 0 HHADLP COc1ccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000303062069 971483486 /nfs/dbraw/zinc/48/34/86/971483486.db2.gz UWPLJLBBAJFZBM-UHFFFAOYSA-N 2 2 422.573 3.727 20 0 HHADLP C[C@H](CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000303263716 971586955 /nfs/dbraw/zinc/58/69/55/971586955.db2.gz IFPBIVRDFHLIDV-LJQANCHMSA-N 2 2 417.557 3.880 20 0 HHADLP C[C@H](CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000303263716 971586957 /nfs/dbraw/zinc/58/69/57/971586957.db2.gz IFPBIVRDFHLIDV-LJQANCHMSA-N 2 2 417.557 3.880 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000303269351 971588834 /nfs/dbraw/zinc/58/88/34/971588834.db2.gz QTXWRTNSLISRBX-SFHVURJKSA-N 2 2 411.015 3.544 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000303269351 971588839 /nfs/dbraw/zinc/58/88/39/971588839.db2.gz QTXWRTNSLISRBX-SFHVURJKSA-N 2 2 411.015 3.544 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000303281688 971596632 /nfs/dbraw/zinc/59/66/32/971596632.db2.gz ISTZCFAQXZYQPW-KRWDZBQOSA-N 2 2 415.607 3.539 20 0 HHADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000303281688 971596636 /nfs/dbraw/zinc/59/66/36/971596636.db2.gz ISTZCFAQXZYQPW-KRWDZBQOSA-N 2 2 415.607 3.539 20 0 HHADLP c1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000303414039 971691433 /nfs/dbraw/zinc/69/14/33/971691433.db2.gz VQLZUQJAOMOTHY-HSZRJFAPSA-N 2 2 418.541 3.948 20 0 HHADLP c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)C2)cc1 ZINC000303414039 971691438 /nfs/dbraw/zinc/69/14/38/971691438.db2.gz VQLZUQJAOMOTHY-HSZRJFAPSA-N 2 2 418.541 3.948 20 0 HHADLP Brc1cccc(Cc2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000303419368 971697420 /nfs/dbraw/zinc/69/74/20/971697420.db2.gz UFTSHZXTRCBWFU-UHFFFAOYSA-N 2 2 419.367 3.731 20 0 HHADLP C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303498606 971796844 /nfs/dbraw/zinc/79/68/44/971796844.db2.gz AFXHJZWYXRHFSC-RUZDIDTESA-N 2 2 407.558 3.511 20 0 HHADLP C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000303498606 971796849 /nfs/dbraw/zinc/79/68/49/971796849.db2.gz AFXHJZWYXRHFSC-RUZDIDTESA-N 2 2 407.558 3.511 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180165 1013119049 /nfs/dbraw/zinc/11/90/49/1013119049.db2.gz VROYCPCSQDQCQJ-PMACEKPBSA-N 2 2 404.624 3.603 20 0 HHADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000542180165 1013119058 /nfs/dbraw/zinc/11/90/58/1013119058.db2.gz VROYCPCSQDQCQJ-PMACEKPBSA-N 2 2 404.624 3.603 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537620383 1013164038 /nfs/dbraw/zinc/16/40/38/1013164038.db2.gz WEBXGWBCGCTERS-UHFFFAOYSA-N 3 2 403.659 3.883 20 0 HHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537620383 1013164043 /nfs/dbraw/zinc/16/40/43/1013164043.db2.gz WEBXGWBCGCTERS-UHFFFAOYSA-N 3 2 403.659 3.883 20 0 HHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553221629 1013188483 /nfs/dbraw/zinc/18/84/83/1013188483.db2.gz KKVFDKUEVJOSRN-VJBMBRPKSA-N 2 2 402.542 3.959 20 0 HHADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553221629 1013188491 /nfs/dbraw/zinc/18/84/91/1013188491.db2.gz KKVFDKUEVJOSRN-VJBMBRPKSA-N 2 2 402.542 3.959 20 0 HHADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000537659839 1013220816 /nfs/dbraw/zinc/22/08/16/1013220816.db2.gz OOGHSYWJZIJJEL-SFHVURJKSA-N 2 2 412.441 3.771 20 0 HHADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000537659839 1013220825 /nfs/dbraw/zinc/22/08/25/1013220825.db2.gz OOGHSYWJZIJJEL-SFHVURJKSA-N 2 2 412.441 3.771 20 0 HHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)CC1CC1 ZINC000537815689 1013379456 /nfs/dbraw/zinc/37/94/56/1013379456.db2.gz FKTNSSGVVGOYAM-UHFFFAOYSA-N 2 2 413.610 3.725 20 0 HHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1)CC1CC1 ZINC000537815689 1013379463 /nfs/dbraw/zinc/37/94/63/1013379463.db2.gz FKTNSSGVVGOYAM-UHFFFAOYSA-N 2 2 413.610 3.725 20 0 HHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](c3n[nH]cc3C[NH+]3CCCC3)C2)c1 ZINC000553515765 1013415779 /nfs/dbraw/zinc/41/57/79/1013415779.db2.gz JSMOXEDFFLBSHP-IBGZPJMESA-N 2 2 418.545 3.519 20 0 HHADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2ccccc2c1 ZINC000020950099 963407117 /nfs/dbraw/zinc/40/71/17/963407117.db2.gz GDPJUNQEUXTEIC-UHFFFAOYSA-N 2 2 403.526 3.743 20 0 HHADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2ccccc2c1 ZINC000020950099 963407125 /nfs/dbraw/zinc/40/71/25/963407125.db2.gz GDPJUNQEUXTEIC-UHFFFAOYSA-N 2 2 403.526 3.743 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000049786388 964212839 /nfs/dbraw/zinc/21/28/39/964212839.db2.gz YSTZIVXGCIFIMV-OALUTQOASA-N 2 2 402.583 3.682 20 0 HHADLP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797743 964399758 /nfs/dbraw/zinc/39/97/58/964399758.db2.gz QGUFFCIHKKPUDR-IBGZPJMESA-N 2 2 401.595 3.561 20 0 HHADLP Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050797788 964399877 /nfs/dbraw/zinc/39/98/77/964399877.db2.gz GSOXKPWHIUYSKG-LJQANCHMSA-N 2 2 401.595 3.561 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCOc3cccc4ccccc43)CC2)CC1 ZINC000050798152 964400406 /nfs/dbraw/zinc/40/04/06/964400406.db2.gz KQLTXABDBVLCTI-UHFFFAOYSA-N 2 2 409.574 3.674 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)CC1 ZINC000050800864 964401299 /nfs/dbraw/zinc/40/12/99/964401299.db2.gz ZGTARKWKZAGKOQ-UHFFFAOYSA-N 2 2 403.998 3.827 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sc4cc(F)ccc4c3Cl)CC2)CC1 ZINC000050800987 964401331 /nfs/dbraw/zinc/40/13/31/964401331.db2.gz PGPMVIVLPBOWEM-UHFFFAOYSA-N 2 2 409.958 3.982 20 0 HHADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1-c1ccccc1C ZINC000050802280 964401474 /nfs/dbraw/zinc/40/14/74/964401474.db2.gz PQRJTFRDEYPPRJ-UHFFFAOYSA-N 2 2 408.590 3.691 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000050801732 964401964 /nfs/dbraw/zinc/40/19/64/964401964.db2.gz SGDADGNHFSTIDL-UHFFFAOYSA-N 2 2 407.558 3.554 20 0 HHADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000026311821 964522042 /nfs/dbraw/zinc/52/20/42/964522042.db2.gz WXOANVSCIAEOBZ-GOSISDBHSA-N 2 2 412.559 3.754 20 0 HHADLP CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761105 964689976 /nfs/dbraw/zinc/68/99/76/964689976.db2.gz SIHRUTJKUPYCPM-ZEQRLZLVSA-N 2 2 412.622 3.913 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000051777844 964695136 /nfs/dbraw/zinc/69/51/36/964695136.db2.gz LLKZXAGSTSYDNQ-NRFANRHFSA-N 2 2 404.986 3.745 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2sccc2C)[NH+]2CCCCC2)cc1 ZINC000057620392 965507109 /nfs/dbraw/zinc/50/71/09/965507109.db2.gz QLFWEAGQTXEVFJ-OAQYLSRUSA-N 2 2 415.603 3.840 20 0 HHADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2sccc2C)[NH+]2CCCCC2)cc1 ZINC000057620392 965507117 /nfs/dbraw/zinc/50/71/17/965507117.db2.gz QLFWEAGQTXEVFJ-OAQYLSRUSA-N 2 2 415.603 3.840 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054719981 965620807 /nfs/dbraw/zinc/62/08/07/965620807.db2.gz HVIYQLKKUYREPL-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054719981 965620812 /nfs/dbraw/zinc/62/08/12/965620812.db2.gz HVIYQLKKUYREPL-XXBNENTESA-N 2 2 403.530 3.566 20 0 HHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058784276 965897744 /nfs/dbraw/zinc/89/77/44/965897744.db2.gz TVHUTWDUMNRFEC-QHCPKHFHSA-N 2 2 411.615 3.935 20 0 HHADLP C[C@@H](c1ccccc1Cl)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000059333839 966015064 /nfs/dbraw/zinc/01/50/64/966015064.db2.gz KIJZRDCCNAWVOZ-SFHVURJKSA-N 2 2 412.965 3.999 20 0 HHADLP C[C@@H](c1ccccc1Cl)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000059333839 966015074 /nfs/dbraw/zinc/01/50/74/966015074.db2.gz KIJZRDCCNAWVOZ-SFHVURJKSA-N 2 2 412.965 3.999 20 0 HHADLP O=C(CC[N@H+](Cc1ccccc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000059350348 966017310 /nfs/dbraw/zinc/01/73/10/966017310.db2.gz WFOJXKIAQKPFTF-UHFFFAOYSA-N 2 2 406.574 3.955 20 0 HHADLP O=C(CC[N@@H+](Cc1ccccc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000059350348 966017317 /nfs/dbraw/zinc/01/73/17/966017317.db2.gz WFOJXKIAQKPFTF-UHFFFAOYSA-N 2 2 406.574 3.955 20 0 HHADLP O=C(CC[NH+](Cc1ccccc1)Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000059852923 966036571 /nfs/dbraw/zinc/03/65/71/966036571.db2.gz WXIIAYFHMHZOFM-UHFFFAOYSA-N 2 2 414.553 3.823 20 0 HHADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000542715133 1013627467 /nfs/dbraw/zinc/62/74/67/1013627467.db2.gz NSFYOZAFQRUEAY-OXQOHEQNSA-N 2 2 424.992 3.988 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)Cc1ccccc1 ZINC000060545776 966198868 /nfs/dbraw/zinc/19/88/68/966198868.db2.gz RAIWKEFTRUMPRN-OAQYLSRUSA-N 2 2 412.578 3.802 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000034991693 966417805 /nfs/dbraw/zinc/41/78/05/966417805.db2.gz SOEBFRZPWPQXLD-UHFFFAOYSA-N 2 2 408.178 3.898 20 0 HHADLP CC(C)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000056895548 966507791 /nfs/dbraw/zinc/50/77/91/966507791.db2.gz WCKBLGMNPCMDFD-UHFFFAOYSA-N 2 2 403.530 3.508 20 0 HHADLP CC(C)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000056895548 966507795 /nfs/dbraw/zinc/50/77/95/966507795.db2.gz WCKBLGMNPCMDFD-UHFFFAOYSA-N 2 2 403.530 3.508 20 0 HHADLP C[NH+]1CCN(c2ccc(C[NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)cn2)CC1 ZINC000542773748 1013676051 /nfs/dbraw/zinc/67/60/51/1013676051.db2.gz LHJNVHPSFZBGCH-UHFFFAOYSA-N 2 2 408.496 3.991 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccsc1 ZINC000042346348 966783188 /nfs/dbraw/zinc/78/31/88/966783188.db2.gz XBBQRQRZLHNNTR-LJQANCHMSA-N 2 2 401.580 3.626 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000042910049 966868259 /nfs/dbraw/zinc/86/82/59/966868259.db2.gz YUHHMVOAMXOAST-IRXDYDNUSA-N 2 2 402.583 3.727 20 0 HHADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000063915744 966997233 /nfs/dbraw/zinc/99/72/33/966997233.db2.gz IYPHCJSECOOIGQ-UHFFFAOYSA-N 2 2 406.574 3.672 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837522 1013699610 /nfs/dbraw/zinc/69/96/10/1013699610.db2.gz OEIOGZHFWKXFBD-VQTJNVASSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837522 1013699615 /nfs/dbraw/zinc/69/96/15/1013699615.db2.gz OEIOGZHFWKXFBD-VQTJNVASSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837524 1013699921 /nfs/dbraw/zinc/69/99/21/1013699921.db2.gz OEIOGZHFWKXFBD-WOJBJXKFSA-N 2 2 416.566 3.525 20 0 HHADLP Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)OCO2 ZINC000542837524 1013699926 /nfs/dbraw/zinc/69/99/26/1013699926.db2.gz OEIOGZHFWKXFBD-WOJBJXKFSA-N 2 2 416.566 3.525 20 0 HHADLP O=S(=O)(c1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 ZINC000542841929 1013702547 /nfs/dbraw/zinc/70/25/47/1013702547.db2.gz HIHQSMBFKUJCEJ-UHFFFAOYSA-N 2 2 419.635 3.748 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000045056631 967342586 /nfs/dbraw/zinc/34/25/86/967342586.db2.gz RNJVWTWMUKVJCZ-HSZRJFAPSA-N 2 2 406.530 3.753 20 0 HHADLP CC1CC[NH+](CCCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000045122658 967357594 /nfs/dbraw/zinc/35/75/94/967357594.db2.gz FVFRPXUKPCVUBD-PMACEKPBSA-N 2 2 402.583 3.539 20 0 HHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000542884659 1013732884 /nfs/dbraw/zinc/73/28/84/1013732884.db2.gz BFUQOIZEGMLKSO-BFUOFWGJSA-N 2 2 413.319 3.820 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000046737319 967946990 /nfs/dbraw/zinc/94/69/90/967946990.db2.gz DPNZQTHYHSOSSJ-OYRHEFFESA-N 2 2 416.610 3.929 20 0 HHADLP CC1CC[NH+](CCCCNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000046737319 967946996 /nfs/dbraw/zinc/94/69/96/967946996.db2.gz DPNZQTHYHSOSSJ-OYRHEFFESA-N 2 2 416.610 3.929 20 0 HHADLP CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)c(C)c2)CC1 ZINC000047269879 968112767 /nfs/dbraw/zinc/11/27/67/968112767.db2.gz LXCWUHUZGSEQNL-UHFFFAOYSA-N 2 2 403.530 3.634 20 0 HHADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048506995 968581673 /nfs/dbraw/zinc/58/16/73/968581673.db2.gz LETZGWNEBDTQFG-UHFFFAOYSA-N 2 2 419.573 3.814 20 0 HHADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048506995 968581678 /nfs/dbraw/zinc/58/16/78/968581678.db2.gz LETZGWNEBDTQFG-UHFFFAOYSA-N 2 2 419.573 3.814 20 0 HHADLP COc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c(OC)c1 ZINC000048564547 968604752 /nfs/dbraw/zinc/60/47/52/968604752.db2.gz KQKPFSDATZWOKK-UHFFFAOYSA-N 2 2 414.550 3.842 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065866171 968688452 /nfs/dbraw/zinc/68/84/52/968688452.db2.gz JHYJCXMQYTVGKI-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866171 968688460 /nfs/dbraw/zinc/68/84/60/968688460.db2.gz JHYJCXMQYTVGKI-JOCHJYFZSA-N 2 2 406.505 3.599 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C[C@@H](C)O1 ZINC000071941206 968899784 /nfs/dbraw/zinc/89/97/84/968899784.db2.gz HZTKFDHGRGGLEI-NHCUHLMSSA-N 2 2 424.589 3.892 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321843 1013848676 /nfs/dbraw/zinc/84/86/76/1013848676.db2.gz CJUYJBQBXJSSBQ-GOTSBHOMSA-N 2 2 415.626 3.862 20 0 HHADLP Cc1c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cccc1N(C)C ZINC000538321843 1013848687 /nfs/dbraw/zinc/84/86/87/1013848687.db2.gz CJUYJBQBXJSSBQ-GOTSBHOMSA-N 2 2 415.626 3.862 20 0 HHADLP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccco1 ZINC000554208626 1013853005 /nfs/dbraw/zinc/85/30/05/1013853005.db2.gz OITWKLVYWOYBQD-BBTUJRGHSA-N 2 2 414.550 3.924 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000097604727 969178518 /nfs/dbraw/zinc/17/85/18/969178518.db2.gz LRQPGSQXLAXVJX-GWCFXTLKSA-N 2 2 406.162 3.793 20 0 HHADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000097604727 969178523 /nfs/dbraw/zinc/17/85/23/969178523.db2.gz LRQPGSQXLAXVJX-GWCFXTLKSA-N 2 2 406.162 3.793 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000108553604 969393358 /nfs/dbraw/zinc/39/33/58/969393358.db2.gz KZPOVNYSXBTCER-QHCPKHFHSA-N 2 2 418.541 3.897 20 0 HHADLP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)c1 ZINC000109546583 969531060 /nfs/dbraw/zinc/53/10/60/969531060.db2.gz QRSZCRBWBNIIQE-UHFFFAOYSA-N 2 2 424.467 3.690 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000195668955 969944996 /nfs/dbraw/zinc/94/49/96/969944996.db2.gz CSZXUFSWUYJWKT-UHFFFAOYSA-N 2 2 422.598 3.904 20 0 HHADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)CC2)[nH+]c1 ZINC000195724748 969984074 /nfs/dbraw/zinc/98/40/74/969984074.db2.gz MNCJUYOQZYQRBX-UHFFFAOYSA-N 2 2 414.981 3.850 20 0 HHADLP C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981583 970058221 /nfs/dbraw/zinc/05/82/21/970058221.db2.gz AHQZREIXIIZHPG-JTSKRJEESA-N 2 2 414.594 3.636 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000215992848 970059125 /nfs/dbraw/zinc/05/91/25/970059125.db2.gz BGNXLNDJDXFDOG-UHFFFAOYSA-N 2 2 404.558 3.938 20 0 HHADLP CC(=O)Nc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000236599920 970145278 /nfs/dbraw/zinc/14/52/78/970145278.db2.gz YBYMULNBBJUNLG-UHFFFAOYSA-N 2 2 400.954 3.600 20 0 HHADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000236784633 970172362 /nfs/dbraw/zinc/17/23/62/970172362.db2.gz CVQNRPSYKDDUPZ-UHFFFAOYSA-N 2 2 422.392 3.559 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000237021869 970208067 /nfs/dbraw/zinc/20/80/67/970208067.db2.gz PVNMTIAKDPAQSO-IBGZPJMESA-N 2 2 423.479 3.998 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000237021869 970208072 /nfs/dbraw/zinc/20/80/72/970208072.db2.gz PVNMTIAKDPAQSO-IBGZPJMESA-N 2 2 423.479 3.998 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000237030766 970210662 /nfs/dbraw/zinc/21/06/62/970210662.db2.gz PVNMTIAKDPAQSO-LJQANCHMSA-N 2 2 423.479 3.998 20 0 HHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000237030766 970210670 /nfs/dbraw/zinc/21/06/70/970210670.db2.gz PVNMTIAKDPAQSO-LJQANCHMSA-N 2 2 423.479 3.998 20 0 HHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000237288307 970256529 /nfs/dbraw/zinc/25/65/29/970256529.db2.gz POJCYTIPCOBBDG-OAHLLOKOSA-N 2 2 412.465 3.536 20 0 HHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000237300664 970258297 /nfs/dbraw/zinc/25/82/97/970258297.db2.gz LUHPSKWPPIKEQQ-PGRDOPGGSA-N 2 2 411.546 3.848 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237438556 970288822 /nfs/dbraw/zinc/28/88/22/970288822.db2.gz QUROIYMCAASVDK-HXUWFJFHSA-N 2 2 415.628 3.685 20 0 HHADLP CSc1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237438556 970288823 /nfs/dbraw/zinc/28/88/23/970288823.db2.gz QUROIYMCAASVDK-HXUWFJFHSA-N 2 2 415.628 3.685 20 0 HHADLP FC(F)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237797239 970369304 /nfs/dbraw/zinc/36/93/04/970369304.db2.gz OODNWJVLENEENR-CYBMUJFWSA-N 2 2 419.310 3.641 20 0 HHADLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237820791 970374175 /nfs/dbraw/zinc/37/41/75/970374175.db2.gz USPRALNIIOWTGC-UHFFFAOYSA-N 2 2 415.497 3.724 20 0 HHADLP Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3C[C@@H](C)C[C@H](C)C3)[nH+]c12 ZINC000261391138 970645471 /nfs/dbraw/zinc/64/54/71/970645471.db2.gz RKJWAXDNCJSVCC-OALUTQOASA-N 2 2 404.558 3.980 20 0 HHADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000303973966 972560391 /nfs/dbraw/zinc/56/03/91/972560391.db2.gz UUZYSMZDNQJREI-UXHICEINSA-N 2 2 423.523 3.875 20 0 HHADLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000310377181 972621040 /nfs/dbraw/zinc/62/10/40/972621040.db2.gz WVCCBQBZPWFWOJ-UHFFFAOYSA-N 2 2 402.336 3.642 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005177 972876172 /nfs/dbraw/zinc/87/61/72/972876172.db2.gz YQQSWJMMPYZAGX-QFBILLFUSA-N 2 2 416.363 3.888 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000398005177 972876182 /nfs/dbraw/zinc/87/61/82/972876182.db2.gz YQQSWJMMPYZAGX-QFBILLFUSA-N 2 2 416.363 3.888 20 0 HHADLP COc1ccccc1[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCC1 ZINC000409527830 972983849 /nfs/dbraw/zinc/98/38/49/972983849.db2.gz FBDVZEVYHAPUPJ-RBBKRZOGSA-N 2 2 415.965 3.905 20 0 HHADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCCOc1ccc(F)cc1 ZINC000426000922 974116621 /nfs/dbraw/zinc/11/66/21/974116621.db2.gz UYSNZCKNPXCVEC-BGYRXZFFSA-N 2 2 414.521 3.676 20 0 HHADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCCOc1ccc(F)cc1 ZINC000426000922 974116626 /nfs/dbraw/zinc/11/66/26/974116626.db2.gz UYSNZCKNPXCVEC-BGYRXZFFSA-N 2 2 414.521 3.676 20 0 HHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCCOc1ccc(F)cc1 ZINC000426000922 974116629 /nfs/dbraw/zinc/11/66/29/974116629.db2.gz UYSNZCKNPXCVEC-BGYRXZFFSA-N 2 2 414.521 3.676 20 0 HHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCCOc1ccc(F)cc1 ZINC000426000922 974116633 /nfs/dbraw/zinc/11/66/33/974116633.db2.gz UYSNZCKNPXCVEC-BGYRXZFFSA-N 2 2 414.521 3.676 20 0 HHADLP Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)C2)cc1 ZINC000426060028 974182109 /nfs/dbraw/zinc/18/21/09/974182109.db2.gz JJESODFLXRVCCE-FYYLOGMGSA-N 2 2 412.622 3.833 20 0 HHADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000426245867 974340586 /nfs/dbraw/zinc/34/05/86/974340586.db2.gz XGJAUWNIYFWARM-GOTSBHOMSA-N 2 2 403.530 3.673 20 0 HHADLP O=C(C1CC[NH+](C2CC2)CC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000426324525 974397240 /nfs/dbraw/zinc/39/72/40/974397240.db2.gz RAQQACNADBKRHG-UHFFFAOYSA-N 2 2 418.944 3.969 20 0 HHADLP CCn1c(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2c1cccc2F ZINC000426769915 974647071 /nfs/dbraw/zinc/64/70/71/974647071.db2.gz MWUNFNCVKQZGSP-ROUUACIJSA-N 2 2 402.558 3.907 20 0 HHADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000426788364 974660345 /nfs/dbraw/zinc/66/03/45/974660345.db2.gz MMKQYJQGNVNXJP-FHWLQOOXSA-N 2 2 405.558 3.672 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000427697625 975242663 /nfs/dbraw/zinc/24/26/63/975242663.db2.gz NGRIELGSQWYFPW-SFTDATJTSA-N 2 2 405.464 3.704 20 0 HHADLP O[C@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000427697625 975242671 /nfs/dbraw/zinc/24/26/71/975242671.db2.gz NGRIELGSQWYFPW-SFTDATJTSA-N 2 2 405.464 3.704 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000427887972 975333568 /nfs/dbraw/zinc/33/35/68/975333568.db2.gz CEUBCPUANUZPBU-FXAWDEMLSA-N 2 2 416.591 3.550 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890191 975334827 /nfs/dbraw/zinc/33/48/27/975334827.db2.gz ZAKOBYIEXFVSGG-WMZHIEFXSA-N 2 2 415.603 3.642 20 0 HHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000427890191 975334834 /nfs/dbraw/zinc/33/48/34/975334834.db2.gz ZAKOBYIEXFVSGG-WMZHIEFXSA-N 2 2 415.603 3.642 20 0 HHADLP COc1ccc(NC(=O)C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCCC2)cc1OC ZINC000428396803 975717358 /nfs/dbraw/zinc/71/73/58/975717358.db2.gz AOQYPEDQOUUECO-UHFFFAOYSA-N 2 2 420.513 3.931 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421943 976699809 /nfs/dbraw/zinc/69/98/09/976699809.db2.gz YBHBFJUOEDSWEJ-PXDATVDWSA-N 3 2 411.590 3.569 20 0 HHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000429421943 976699818 /nfs/dbraw/zinc/69/98/18/976699818.db2.gz YBHBFJUOEDSWEJ-PXDATVDWSA-N 3 2 411.590 3.569 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000429483325 976744046 /nfs/dbraw/zinc/74/40/46/976744046.db2.gz XOZLTKYOBYEYGN-NRFANRHFSA-N 2 2 420.479 3.632 20 0 HHADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000429483325 976744057 /nfs/dbraw/zinc/74/40/57/976744057.db2.gz XOZLTKYOBYEYGN-NRFANRHFSA-N 2 2 420.479 3.632 20 0 HHADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccc(Cl)cc4Cl)CC3)cn2)CC1 ZINC000430088219 977314526 /nfs/dbraw/zinc/31/45/26/977314526.db2.gz WEIKFPZUXFYFOE-UHFFFAOYSA-N 2 2 420.388 3.915 20 0 HHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000430488752 977594112 /nfs/dbraw/zinc/59/41/12/977594112.db2.gz ZFIKQYWBNFKLGM-UHFFFAOYSA-N 2 2 411.594 3.528 20 0 HHADLP C[N@H+](CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CCCC1 ZINC000430565281 977633608 /nfs/dbraw/zinc/63/36/08/977633608.db2.gz FEYLRBIYJXWKCP-UHFFFAOYSA-N 2 2 403.958 3.623 20 0 HHADLP C[N@@H+](CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CCCC1 ZINC000430565281 977633613 /nfs/dbraw/zinc/63/36/13/977633613.db2.gz FEYLRBIYJXWKCP-UHFFFAOYSA-N 2 2 403.958 3.623 20 0 HHADLP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC000430823629 977778622 /nfs/dbraw/zinc/77/86/22/977778622.db2.gz UDOFHYHPGKHPQD-LOSJGSFVSA-N 2 2 405.542 3.996 20 0 HHADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000430844025 977795375 /nfs/dbraw/zinc/79/53/75/977795375.db2.gz IBGCSJDXXZMEMO-PMACEKPBSA-N 2 2 403.958 3.621 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914279 977882951 /nfs/dbraw/zinc/88/29/51/977882951.db2.gz IXMQLEDYRWEEOP-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430914279 977882960 /nfs/dbraw/zinc/88/29/60/977882960.db2.gz IXMQLEDYRWEEOP-SFHVURJKSA-N 3 2 421.029 3.795 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000430922760 977889695 /nfs/dbraw/zinc/88/96/95/977889695.db2.gz CIVNFNFPNNCJMW-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000430922760 977889703 /nfs/dbraw/zinc/88/97/03/977889703.db2.gz CIVNFNFPNNCJMW-UHFFFAOYSA-N 3 2 424.992 3.546 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699899 978444350 /nfs/dbraw/zinc/44/43/50/978444350.db2.gz SROLBOOEGGQFLP-ZFGGDYGUSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431699899 978444352 /nfs/dbraw/zinc/44/43/52/978444352.db2.gz SROLBOOEGGQFLP-ZFGGDYGUSA-N 2 2 421.589 3.523 20 0 HHADLP C[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000431801935 978524842 /nfs/dbraw/zinc/52/48/42/978524842.db2.gz QNSUDRFOEYSMBH-URXFXBBRSA-N 2 2 416.569 3.985 20 0 HHADLP C[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000431801935 978524853 /nfs/dbraw/zinc/52/48/53/978524853.db2.gz QNSUDRFOEYSMBH-URXFXBBRSA-N 2 2 416.569 3.985 20 0 HHADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000431822507 978537911 /nfs/dbraw/zinc/53/79/11/978537911.db2.gz JWFFRVWZPVBUFI-IBGZPJMESA-N 2 2 423.561 3.574 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432346610 978770167 /nfs/dbraw/zinc/77/01/67/978770167.db2.gz MKBACJXQZAFRDD-INIZCTEOSA-N 2 2 421.383 3.534 20 0 HHADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432346610 978770172 /nfs/dbraw/zinc/77/01/72/978770172.db2.gz MKBACJXQZAFRDD-INIZCTEOSA-N 2 2 421.383 3.534 20 0 HHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CCCO1 ZINC000432364687 978779235 /nfs/dbraw/zinc/77/92/35/978779235.db2.gz LCRTWEBQLLEKCM-CYBMUJFWSA-N 2 2 407.299 3.641 20 0 HHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CCCO1 ZINC000432364687 978779239 /nfs/dbraw/zinc/77/92/39/978779239.db2.gz LCRTWEBQLLEKCM-CYBMUJFWSA-N 2 2 407.299 3.641 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C)O[C@H](C3CC3)C2)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177261 979120109 /nfs/dbraw/zinc/12/01/09/979120109.db2.gz DGQFXGCSDKMGHE-MSFWWKAZSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C)O[C@H](C3CC3)C2)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000433177261 979120114 /nfs/dbraw/zinc/12/01/14/979120114.db2.gz DGQFXGCSDKMGHE-MSFWWKAZSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000433177261 979120119 /nfs/dbraw/zinc/12/01/19/979120119.db2.gz DGQFXGCSDKMGHE-MSFWWKAZSA-N 2 2 414.590 3.694 20 0 HHADLP COc1cc(C[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000433177261 979120125 /nfs/dbraw/zinc/12/01/25/979120125.db2.gz DGQFXGCSDKMGHE-MSFWWKAZSA-N 2 2 414.590 3.694 20 0 HHADLP COC(=O)c1cc([C@H](C)[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205831 979140936 /nfs/dbraw/zinc/14/09/36/979140936.db2.gz FIHCAAMTJMYZFH-KBXCAEBGSA-N 2 2 403.548 3.879 20 0 HHADLP COC(=O)c1cc([C@H](C)[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)oc1C ZINC000433205831 979140940 /nfs/dbraw/zinc/14/09/40/979140940.db2.gz FIHCAAMTJMYZFH-KBXCAEBGSA-N 2 2 403.548 3.879 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619652 979430124 /nfs/dbraw/zinc/43/01/24/979430124.db2.gz XIRGBWWMBJJXGA-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)nc[nH+]3)cc2)C1 ZINC000433619652 979430127 /nfs/dbraw/zinc/43/01/27/979430127.db2.gz XIRGBWWMBJJXGA-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619652 979430132 /nfs/dbraw/zinc/43/01/32/979430132.db2.gz XIRGBWWMBJJXGA-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(N4CCCC[C@H]4CO)[nH+]cn3)cc2)C1 ZINC000433619652 979430136 /nfs/dbraw/zinc/43/01/36/979430136.db2.gz XIRGBWWMBJJXGA-KNQAVFIVSA-N 2 2 409.578 3.672 20 0 HHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)cc1 ZINC000433753320 979549149 /nfs/dbraw/zinc/54/91/49/979549149.db2.gz INNYDVPXNBUWLS-UHFFFAOYSA-N 2 2 409.603 3.522 20 0 HHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)[nH+]cn2)CC3)cc1 ZINC000433753320 979549153 /nfs/dbraw/zinc/54/91/53/979549153.db2.gz INNYDVPXNBUWLS-UHFFFAOYSA-N 2 2 409.603 3.522 20 0 HHADLP COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000433888521 979653048 /nfs/dbraw/zinc/65/30/48/979653048.db2.gz QYEBTXKKEMKYNZ-UHFFFAOYSA-N 2 2 411.527 3.547 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000433997966 979746155 /nfs/dbraw/zinc/74/61/55/979746155.db2.gz USLIDBWKIIRVOV-HSZRJFAPSA-N 2 2 408.546 3.676 20 0 HHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433998218 979746426 /nfs/dbraw/zinc/74/64/26/979746426.db2.gz VXSXHLNVPWROBJ-WMZHIEFXSA-N 2 2 408.546 3.819 20 0 HHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000433998218 979746430 /nfs/dbraw/zinc/74/64/30/979746430.db2.gz VXSXHLNVPWROBJ-WMZHIEFXSA-N 2 2 408.546 3.819 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434268006 980029218 /nfs/dbraw/zinc/02/92/18/980029218.db2.gz VIKFPBHLUACPJP-RTBURBONSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000434298531 980058003 /nfs/dbraw/zinc/05/80/03/980058003.db2.gz SWDPGZKPTDIIJI-XKCSPQBFSA-N 2 2 408.546 3.545 20 0 HHADLP C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1Cc1ccccc1 ZINC000434298531 980058011 /nfs/dbraw/zinc/05/80/11/980058011.db2.gz SWDPGZKPTDIIJI-XKCSPQBFSA-N 2 2 408.546 3.545 20 0 HHADLP CN(Cc1cc(Cl)ccc1F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000434432155 980171864 /nfs/dbraw/zinc/17/18/64/980171864.db2.gz PUGMCHVOOFOFAT-UHFFFAOYSA-N 2 2 410.965 3.571 20 0 HHADLP Fc1ccc(-n2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nn2)cc1Cl ZINC000434663743 980327290 /nfs/dbraw/zinc/32/72/90/980327290.db2.gz GSQPYCKFZMHYHJ-UHFFFAOYSA-N 2 2 414.916 3.972 20 0 HHADLP CCCCOc1cccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434681641 980336609 /nfs/dbraw/zinc/33/66/09/980336609.db2.gz QOHJINFXEJMPEP-UHFFFAOYSA-N 2 2 424.589 3.894 20 0 HHADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688233 980340524 /nfs/dbraw/zinc/34/05/24/980340524.db2.gz JYCKRALMZVRTQI-MSOLQXFVSA-N 2 2 410.562 3.673 20 0 HHADLP Cc1ccc2nc(NC(=O)C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)sc2c1 ZINC000434687605 980340586 /nfs/dbraw/zinc/34/05/86/980340586.db2.gz XWPOQZOABVMRHH-UHFFFAOYSA-N 2 2 409.559 3.956 20 0 HHADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690666 980342618 /nfs/dbraw/zinc/34/26/18/980342618.db2.gz JDMJYASVDNZBSE-UHFFFAOYSA-N 2 2 418.944 3.850 20 0 HHADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434749695 980378067 /nfs/dbraw/zinc/37/80/67/980378067.db2.gz SMXSASIWXHBGGQ-UHFFFAOYSA-N 2 2 402.564 3.550 20 0 HHADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434754513 980380345 /nfs/dbraw/zinc/38/03/45/980380345.db2.gz UCFINHPJIGRYFR-MRXNPFEDSA-N 2 2 400.954 3.757 20 0 HHADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000434982668 980548717 /nfs/dbraw/zinc/54/87/17/980548717.db2.gz QJMWBGDUOMBAEE-UHFFFAOYSA-N 2 2 418.965 3.816 20 0 HHADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000434982668 980548726 /nfs/dbraw/zinc/54/87/26/980548726.db2.gz QJMWBGDUOMBAEE-UHFFFAOYSA-N 2 2 418.965 3.816 20 0 HHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000434984098 980549196 /nfs/dbraw/zinc/54/91/96/980549196.db2.gz YQOOZGPXQDSHBA-UHFFFAOYSA-N 2 2 402.542 3.928 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000435418755 980852106 /nfs/dbraw/zinc/85/21/06/980852106.db2.gz YIZWRQOYVWMXBB-UHFFFAOYSA-N 2 2 416.997 3.697 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000435576530 980947758 /nfs/dbraw/zinc/94/77/58/980947758.db2.gz BLWMBNWJGYUMNU-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)C1 ZINC000435576530 980947764 /nfs/dbraw/zinc/94/77/64/980947764.db2.gz BLWMBNWJGYUMNU-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000435576530 980947770 /nfs/dbraw/zinc/94/77/70/980947770.db2.gz BLWMBNWJGYUMNU-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)C1 ZINC000435576530 980947774 /nfs/dbraw/zinc/94/77/74/980947774.db2.gz BLWMBNWJGYUMNU-KDURUIRLSA-N 2 2 409.578 3.977 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436609326 981472330 /nfs/dbraw/zinc/47/23/30/981472330.db2.gz WCFDQQVPOPEUHW-DHIUTWEWSA-N 2 2 413.606 3.680 20 0 HHADLP CN(C(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436609326 981472332 /nfs/dbraw/zinc/47/23/32/981472332.db2.gz WCFDQQVPOPEUHW-DHIUTWEWSA-N 2 2 413.606 3.680 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000437056093 981727474 /nfs/dbraw/zinc/72/74/74/981727474.db2.gz JBRWJIRZEXKTSW-GBXCKJPGSA-N 2 2 406.574 3.598 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000437056093 981727481 /nfs/dbraw/zinc/72/74/81/981727481.db2.gz JBRWJIRZEXKTSW-GBXCKJPGSA-N 2 2 406.574 3.598 20 0 HHADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369636 981729176 /nfs/dbraw/zinc/72/91/76/981729176.db2.gz APLMSQIIOZJWSA-PMACEKPBSA-N 2 2 402.583 3.569 20 0 HHADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000448369636 981729182 /nfs/dbraw/zinc/72/91/82/981729182.db2.gz APLMSQIIOZJWSA-PMACEKPBSA-N 2 2 402.583 3.569 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000437068081 981740176 /nfs/dbraw/zinc/74/01/76/981740176.db2.gz GQUNNPPPSQXXST-RDPSFJRHSA-N 2 2 412.622 3.806 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448472965 981814725 /nfs/dbraw/zinc/81/47/25/981814725.db2.gz KLWNLHFLZKZBGK-JOCHJYFZSA-N 2 2 415.626 3.698 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448472965 981814742 /nfs/dbraw/zinc/81/47/42/981814742.db2.gz KLWNLHFLZKZBGK-JOCHJYFZSA-N 2 2 415.626 3.698 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000460364693 982140555 /nfs/dbraw/zinc/14/05/55/982140555.db2.gz MLVOIWYMSMPPOX-IRXDYDNUSA-N 2 2 408.571 3.981 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccccc1 ZINC000460384907 982163140 /nfs/dbraw/zinc/16/31/40/982163140.db2.gz HIYNGFYZLYNVOX-ISKFKSNPSA-N 2 2 422.960 3.833 20 0 HHADLP CCCCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OC ZINC000460500881 982289675 /nfs/dbraw/zinc/28/96/75/982289675.db2.gz CMQYDEXFOIZSEP-UHFFFAOYSA-N 2 2 417.594 3.554 20 0 HHADLP Cc1ccc(-c2cnc(CCC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)o2)cc1 ZINC000460504120 982293406 /nfs/dbraw/zinc/29/34/06/982293406.db2.gz OXXHYRVYPSWTKQ-UHFFFAOYSA-N 2 2 424.589 3.649 20 0 HHADLP CCC(CC)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000460787545 982540412 /nfs/dbraw/zinc/54/04/12/982540412.db2.gz DABGTBDYLSRDNU-QFIPXVFZSA-N 2 2 422.013 3.558 20 0 HHADLP CC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438068030 982567496 /nfs/dbraw/zinc/56/74/96/982567496.db2.gz XHQCVULKKZSKHN-HXUWFJFHSA-N 2 2 411.512 3.874 20 0 HHADLP Cc1ccnc(-c2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc2)n1 ZINC000438172034 982631353 /nfs/dbraw/zinc/63/13/53/982631353.db2.gz GTMUCIRCLNJNGE-UHFFFAOYSA-N 2 2 422.577 3.524 20 0 HHADLP C[C@H]1CCc2[nH]c3ccc(C(=O)NCC4([NH+]5CCCCC5)CC[NH+](C)CC4)cc3c2C1 ZINC000461291168 982990880 /nfs/dbraw/zinc/99/08/80/982990880.db2.gz RMCOXYDCJOZBNT-IBGZPJMESA-N 2 2 422.617 3.973 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461454008 983120693 /nfs/dbraw/zinc/12/06/93/983120693.db2.gz HDEYQIOMOIWOKR-QHAWAJNXSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC000461454008 983120696 /nfs/dbraw/zinc/12/06/96/983120696.db2.gz HDEYQIOMOIWOKR-QHAWAJNXSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000461454008 983120698 /nfs/dbraw/zinc/12/06/98/983120698.db2.gz HDEYQIOMOIWOKR-QHAWAJNXSA-N 2 2 406.574 3.619 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000461454008 983120700 /nfs/dbraw/zinc/12/07/00/983120700.db2.gz HDEYQIOMOIWOKR-QHAWAJNXSA-N 2 2 406.574 3.619 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000440099868 983644351 /nfs/dbraw/zinc/64/43/51/983644351.db2.gz HYKPTGOLLHKFQB-WMZOPIPTSA-N 2 2 408.468 3.664 20 0 HHADLP CC[C@@](C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nccs1 ZINC000440690733 983855411 /nfs/dbraw/zinc/85/54/11/983855411.db2.gz FRRQLBDDCKDBLH-HXUWFJFHSA-N 2 2 404.605 3.545 20 0 HHADLP CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698926 983858815 /nfs/dbraw/zinc/85/88/15/983858815.db2.gz ALIQXVOLATXRKO-PMACEKPBSA-N 2 2 415.626 3.989 20 0 HHADLP CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440698926 983858833 /nfs/dbraw/zinc/85/88/33/983858833.db2.gz ALIQXVOLATXRKO-PMACEKPBSA-N 2 2 415.626 3.989 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)CC2)CC1 ZINC000441001815 984017926 /nfs/dbraw/zinc/01/79/26/984017926.db2.gz QEHOTOHPPADGQC-HSZRJFAPSA-N 2 2 412.622 3.948 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccncc2Oc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000441065815 984051853 /nfs/dbraw/zinc/05/18/53/984051853.db2.gz RLHLBXBIESGDTK-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257989 984142983 /nfs/dbraw/zinc/14/29/83/984142983.db2.gz PURGHAVBMFTJIF-CEXWTWQISA-N 2 2 404.352 3.681 20 0 HHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Br)cc2cccnc21 ZINC000441257989 984142986 /nfs/dbraw/zinc/14/29/86/984142986.db2.gz PURGHAVBMFTJIF-CEXWTWQISA-N 2 2 404.352 3.681 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298643 984164821 /nfs/dbraw/zinc/16/48/21/984164821.db2.gz WIYCQBQGSDTRSR-FGZHOGPDSA-N 2 2 413.562 3.851 20 0 HHADLP COc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000441298643 984164822 /nfs/dbraw/zinc/16/48/22/984164822.db2.gz WIYCQBQGSDTRSR-FGZHOGPDSA-N 2 2 413.562 3.851 20 0 HHADLP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441378857 984219714 /nfs/dbraw/zinc/21/97/14/984219714.db2.gz NEBPVCMRKQUWMX-CVDCTZTESA-N 2 2 406.530 3.544 20 0 HHADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000441380430 984220228 /nfs/dbraw/zinc/22/02/28/984220228.db2.gz FYOIIRZBIAQSTO-NHCUHLMSSA-N 2 2 404.514 3.645 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400783 984231776 /nfs/dbraw/zinc/23/17/76/984231776.db2.gz DZGIOBGNKFLNEP-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400783 984231779 /nfs/dbraw/zinc/23/17/79/984231779.db2.gz DZGIOBGNKFLNEP-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400783 984231786 /nfs/dbraw/zinc/23/17/86/984231786.db2.gz DZGIOBGNKFLNEP-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400783 984231788 /nfs/dbraw/zinc/23/17/88/984231788.db2.gz DZGIOBGNKFLNEP-JXFKEZNVSA-N 2 2 410.389 3.901 20 0 HHADLP CC[N@H+](C[C@H](O)COCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616372 984357900 /nfs/dbraw/zinc/35/79/00/984357900.db2.gz BKZUSEHNWPTOFS-NRFANRHFSA-N 2 2 417.981 3.851 20 0 HHADLP CC[N@@H+](C[C@H](O)COCc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616372 984357908 /nfs/dbraw/zinc/35/79/08/984357908.db2.gz BKZUSEHNWPTOFS-NRFANRHFSA-N 2 2 417.981 3.851 20 0 HHADLP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217490 985197896 /nfs/dbraw/zinc/19/78/96/985197896.db2.gz AINRFRXGPVAZJH-YDHSSHFGSA-N 2 2 403.530 3.753 20 0 HHADLP C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462217490 985197900 /nfs/dbraw/zinc/19/79/00/985197900.db2.gz AINRFRXGPVAZJH-YDHSSHFGSA-N 2 2 403.530 3.753 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462231128 985212352 /nfs/dbraw/zinc/21/23/52/985212352.db2.gz WVEPLJRZHOJECU-RTWAWAEBSA-N 2 2 422.564 3.757 20 0 HHADLP CN(C(=O)NCC(F)(F)c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462231128 985212364 /nfs/dbraw/zinc/21/23/64/985212364.db2.gz WVEPLJRZHOJECU-RTWAWAEBSA-N 2 2 422.564 3.757 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000462522057 985472174 /nfs/dbraw/zinc/47/21/74/985472174.db2.gz QLWXVTBKSAMHKE-LJQANCHMSA-N 2 2 412.603 3.585 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000462522057 985472183 /nfs/dbraw/zinc/47/21/83/985472183.db2.gz QLWXVTBKSAMHKE-LJQANCHMSA-N 2 2 412.603 3.585 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000462652986 985592661 /nfs/dbraw/zinc/59/26/61/985592661.db2.gz AUAORBAKVDSBOL-LJQANCHMSA-N 2 2 412.603 3.801 20 0 HHADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000443547131 985717927 /nfs/dbraw/zinc/71/79/27/985717927.db2.gz BBJHYWXDZVYXFR-UHFFFAOYSA-N 2 2 419.013 3.652 20 0 HHADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000443547131 985717938 /nfs/dbraw/zinc/71/79/38/985717938.db2.gz BBJHYWXDZVYXFR-UHFFFAOYSA-N 2 2 419.013 3.652 20 0 HHADLP Cc1cc(Br)cn2c(CNc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)c[nH+]c12 ZINC000462851976 985776404 /nfs/dbraw/zinc/77/64/04/985776404.db2.gz CICRFTONOUQNPS-LJQANCHMSA-N 2 2 415.335 3.584 20 0 HHADLP Cc1cc(Br)cn2c(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)c[nH+]c12 ZINC000462851976 985776416 /nfs/dbraw/zinc/77/64/16/985776416.db2.gz CICRFTONOUQNPS-LJQANCHMSA-N 2 2 415.335 3.584 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000462852141 985776664 /nfs/dbraw/zinc/77/66/64/985776664.db2.gz FWFJNGVOJSZQMK-RUCARUNLSA-N 2 2 409.368 3.702 20 0 HHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623414 985801441 /nfs/dbraw/zinc/80/14/41/985801441.db2.gz LOWAWYRURIINMW-MNEFBYGVSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000443623414 985801452 /nfs/dbraw/zinc/80/14/52/985801452.db2.gz LOWAWYRURIINMW-MNEFBYGVSA-N 2 2 410.965 3.598 20 0 HHADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1csc(-c2ccccc2F)n1 ZINC000462886291 985811851 /nfs/dbraw/zinc/81/18/51/985811851.db2.gz FEQQHWCTAFUBPN-MRXNPFEDSA-N 2 2 411.550 3.947 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000462905226 985835346 /nfs/dbraw/zinc/83/53/46/985835346.db2.gz HADVWGLLBIFRPR-CYBMUJFWSA-N 2 2 401.320 3.656 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463070264 986025972 /nfs/dbraw/zinc/02/59/72/986025972.db2.gz SBHZTKHIIIZAGO-RDGATRHJSA-N 2 2 423.601 3.540 20 0 HHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463070264 986025981 /nfs/dbraw/zinc/02/59/81/986025981.db2.gz SBHZTKHIIIZAGO-RDGATRHJSA-N 2 2 423.601 3.540 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077757 /nfs/dbraw/zinc/07/77/57/986077757.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 3 2 409.593 3.987 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000463114469 986077770 /nfs/dbraw/zinc/07/77/70/986077770.db2.gz HNBJOVCRYQWGPV-XMMPIXPASA-N 3 2 409.593 3.987 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000463146483 986115956 /nfs/dbraw/zinc/11/59/56/986115956.db2.gz CAHWWAYOMCSROW-OXQOHEQNSA-N 2 2 404.555 3.578 20 0 HHADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000463187434 986158790 /nfs/dbraw/zinc/15/87/90/986158790.db2.gz BAUNTWISYMMXAS-OAQYLSRUSA-N 2 2 421.354 3.918 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444050506 986248735 /nfs/dbraw/zinc/24/87/35/986248735.db2.gz IZFYKFUMGVKUEC-MZKRTTBSSA-N 2 2 423.605 3.987 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000444050506 986248745 /nfs/dbraw/zinc/24/87/45/986248745.db2.gz IZFYKFUMGVKUEC-MZKRTTBSSA-N 2 2 423.605 3.987 20 0 HHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000468550953 986256924 /nfs/dbraw/zinc/25/69/24/986256924.db2.gz BLSNOTIXTSNBGU-CQSZACIVSA-N 2 2 401.364 3.998 20 0 HHADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000444194881 986372819 /nfs/dbraw/zinc/37/28/19/986372819.db2.gz JXCGKTQWSZWPMK-QFIPXVFZSA-N 2 2 409.578 3.885 20 0 HHADLP C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC2)CCO1 ZINC000463708354 986694126 /nfs/dbraw/zinc/69/41/26/986694126.db2.gz YKQHUUQHXNUTRN-SFHVURJKSA-N 2 2 423.561 3.603 20 0 HHADLP C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)CC2)CCO1 ZINC000463708354 986694129 /nfs/dbraw/zinc/69/41/29/986694129.db2.gz YKQHUUQHXNUTRN-SFHVURJKSA-N 2 2 423.561 3.603 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000444790554 986946568 /nfs/dbraw/zinc/94/65/68/986946568.db2.gz IQEKCHFIKCJRSG-CQSZACIVSA-N 2 2 402.296 3.612 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000444790554 986946576 /nfs/dbraw/zinc/94/65/76/986946576.db2.gz IQEKCHFIKCJRSG-CQSZACIVSA-N 2 2 402.296 3.612 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367109 987064568 /nfs/dbraw/zinc/06/45/68/987064568.db2.gz JKVZYQIGWXERQP-XZOQPEGZSA-N 2 2 412.578 3.586 20 0 HHADLP COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000469367109 987064577 /nfs/dbraw/zinc/06/45/77/987064577.db2.gz JKVZYQIGWXERQP-XZOQPEGZSA-N 2 2 412.578 3.586 20 0 HHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000469424918 987113113 /nfs/dbraw/zinc/11/31/13/987113113.db2.gz UIAMVNGWALQVEJ-QFIPXVFZSA-N 2 2 409.578 3.506 20 0 HHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000469424918 987113116 /nfs/dbraw/zinc/11/31/16/987113116.db2.gz UIAMVNGWALQVEJ-QFIPXVFZSA-N 2 2 409.578 3.506 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)c4ccccc43)CC2)CC1 ZINC000445009211 987141244 /nfs/dbraw/zinc/14/12/44/987141244.db2.gz CVEZRTDDBRZTGA-XMMPIXPASA-N 2 2 418.585 3.907 20 0 HHADLP C[C@H](Oc1cccc2ccccc21)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469487491 987167958 /nfs/dbraw/zinc/16/79/58/987167958.db2.gz ICICHZTUILMAAV-FQEVSTJZSA-N 2 2 409.574 3.674 20 0 HHADLP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469759222 987412687 /nfs/dbraw/zinc/41/26/87/987412687.db2.gz XDMZEEWXCZUTLS-KSFYIVLOSA-N 2 2 410.468 3.992 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000469791695 987436134 /nfs/dbraw/zinc/43/61/34/987436134.db2.gz QKEOLHWFPIDNBG-RTBURBONSA-N 2 2 418.578 3.736 20 0 HHADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866099 987503403 /nfs/dbraw/zinc/50/34/03/987503403.db2.gz OTDCBNHABKLFFE-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469866099 987503408 /nfs/dbraw/zinc/50/34/08/987503408.db2.gz OTDCBNHABKLFFE-TXTKFYIRSA-N 2 2 409.578 3.908 20 0 HHADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000469865986 987503476 /nfs/dbraw/zinc/50/34/76/987503476.db2.gz WZEJVQFULNHJCP-NFBKMPQASA-N 2 2 409.578 3.908 20 0 HHADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000470282857 988238820 /nfs/dbraw/zinc/23/88/20/988238820.db2.gz LMSFYMSUAUYBQW-LZQZEXGQSA-N 2 2 423.483 3.797 20 0 HHADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000470291551 988249923 /nfs/dbraw/zinc/24/99/23/988249923.db2.gz ZSQUOEWSZNHROA-RBUKOAKNSA-N 2 2 422.451 3.566 20 0 HHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(C)C ZINC000470504318 988500205 /nfs/dbraw/zinc/50/02/05/988500205.db2.gz WAUCHTWCOTXJQH-GOSISDBHSA-N 2 2 410.553 3.737 20 0 HHADLP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(C)C ZINC000470504318 988500217 /nfs/dbraw/zinc/50/02/17/988500217.db2.gz WAUCHTWCOTXJQH-GOSISDBHSA-N 2 2 410.553 3.737 20 0 HHADLP CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470735786 988770820 /nfs/dbraw/zinc/77/08/20/988770820.db2.gz ZZRRBCDXSOBQBQ-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470735786 988770833 /nfs/dbraw/zinc/77/08/33/988770833.db2.gz ZZRRBCDXSOBQBQ-XMMPIXPASA-N 2 2 417.557 3.737 20 0 HHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)C[C@@H](C)O1 ZINC000464676578 988876116 /nfs/dbraw/zinc/87/61/16/988876116.db2.gz GYEVSAYNYYAANN-QZTJIDSGSA-N 2 2 400.592 3.916 20 0 HHADLP CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807458 989039072 /nfs/dbraw/zinc/03/90/72/989039072.db2.gz UPMGACJVHANHEJ-UHFFFAOYSA-N 2 2 418.488 3.860 20 0 HHADLP CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807458 989039086 /nfs/dbraw/zinc/03/90/86/989039086.db2.gz UPMGACJVHANHEJ-UHFFFAOYSA-N 2 2 418.488 3.860 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023151 989094150 /nfs/dbraw/zinc/09/41/50/989094150.db2.gz RGZQKBJDAJOABU-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023151 989094154 /nfs/dbraw/zinc/09/41/54/989094154.db2.gz RGZQKBJDAJOABU-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023151 989094158 /nfs/dbraw/zinc/09/41/58/989094158.db2.gz RGZQKBJDAJOABU-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000471023151 989094161 /nfs/dbraw/zinc/09/41/61/989094161.db2.gz RGZQKBJDAJOABU-HOTGVXAUSA-N 2 2 401.624 3.605 20 0 HHADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[NH+]3CCC[C@H](C)C3)cs1)CC2 ZINC000465064256 989387941 /nfs/dbraw/zinc/38/79/41/989387941.db2.gz DJYHWVKQZKMNOE-UHOSZYNNSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[NH+]3CCC[C@H](C)C3)cs1)CC2 ZINC000465064256 989387956 /nfs/dbraw/zinc/38/79/56/989387956.db2.gz DJYHWVKQZKMNOE-UHOSZYNNSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[N@@H+]3CCC[C@H](C)C3)cs1)CC2 ZINC000465064256 989387971 /nfs/dbraw/zinc/38/79/71/989387971.db2.gz DJYHWVKQZKMNOE-UHOSZYNNSA-N 2 2 405.612 3.854 20 0 HHADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1nc(C[N@H+]3CCC[C@H](C)C3)cs1)CC2 ZINC000465064256 989387987 /nfs/dbraw/zinc/38/79/87/989387987.db2.gz DJYHWVKQZKMNOE-UHOSZYNNSA-N 2 2 405.612 3.854 20 0 HHADLP CCc1ccc([C@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000465437383 989782038 /nfs/dbraw/zinc/78/20/38/989782038.db2.gz WFNHJBLBOXQDRR-QFIPXVFZSA-N 2 2 409.578 3.523 20 0 HHADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000471584399 989788186 /nfs/dbraw/zinc/78/81/86/989788186.db2.gz GBHIRBVDVYFDEW-IRLDBZIGSA-N 2 2 421.589 3.566 20 0 HHADLP C[NH+]1CCC(CNC(=O)NCC2(c3ccccc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000465488091 989835423 /nfs/dbraw/zinc/83/54/23/989835423.db2.gz QLBLYCTWADVMJW-UHFFFAOYSA-N 2 2 412.622 3.748 20 0 HHADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000465627728 990013031 /nfs/dbraw/zinc/01/30/31/990013031.db2.gz NAYJDTOWDSMFQY-UHFFFAOYSA-N 2 2 409.578 3.591 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002841 990172150 /nfs/dbraw/zinc/17/21/50/990172150.db2.gz OMFISOAAYUENST-ZLNRFVROSA-N 2 2 413.606 3.575 20 0 HHADLP Cc1cc2c(cc1C)[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)CO2 ZINC000472002841 990172157 /nfs/dbraw/zinc/17/21/57/990172157.db2.gz OMFISOAAYUENST-ZLNRFVROSA-N 2 2 413.606 3.575 20 0 HHADLP Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000465806790 990189618 /nfs/dbraw/zinc/18/96/18/990189618.db2.gz HBVWGIPSVLSCQS-DYESRHJHSA-N 2 2 402.583 3.629 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000466012657 991178399 /nfs/dbraw/zinc/17/83/99/991178399.db2.gz DSBGRAIFLGDGGU-HXUWFJFHSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000466012657 991178406 /nfs/dbraw/zinc/17/84/06/991178406.db2.gz DSBGRAIFLGDGGU-HXUWFJFHSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000466390503 991679726 /nfs/dbraw/zinc/67/97/26/991679726.db2.gz VLUGOXUTUPWTBA-PMACEKPBSA-N 2 2 424.589 3.722 20 0 HHADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cncc(Br)c3)CC2)c1 ZINC000466462078 991753486 /nfs/dbraw/zinc/75/34/86/991753486.db2.gz BVEBYHDTLZBKDZ-UHFFFAOYSA-N 2 2 423.786 3.799 20 0 HHADLP Cc1c(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821291 992129791 /nfs/dbraw/zinc/12/97/91/992129791.db2.gz GMEUXPQKJQUKGO-RDPSFJRHSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821291 992129797 /nfs/dbraw/zinc/12/97/97/992129797.db2.gz GMEUXPQKJQUKGO-RDPSFJRHSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821291 992129802 /nfs/dbraw/zinc/12/98/02/992129802.db2.gz GMEUXPQKJQUKGO-RDPSFJRHSA-N 2 2 405.546 3.870 20 0 HHADLP Cc1c(-c2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)on2)cnn1C ZINC000466821291 992129805 /nfs/dbraw/zinc/12/98/05/992129805.db2.gz GMEUXPQKJQUKGO-RDPSFJRHSA-N 2 2 405.546 3.870 20 0 HHADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000467138626 992454825 /nfs/dbraw/zinc/45/48/25/992454825.db2.gz WXLQRVHSBBSDLI-UHFFFAOYSA-N 2 2 402.542 3.928 20 0 HHADLP COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000467145060 992461271 /nfs/dbraw/zinc/46/12/71/992461271.db2.gz VPJJSILDMHKOQX-CQSZACIVSA-N 2 2 411.531 3.748 20 0 HHADLP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000467412290 992716041 /nfs/dbraw/zinc/71/60/41/992716041.db2.gz HOTHWODGEKRRRR-INIZCTEOSA-N 2 2 418.950 3.545 20 0 HHADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Br)c1 ZINC000467839950 993071324 /nfs/dbraw/zinc/07/13/24/993071324.db2.gz RAMKSPNFGDIMJG-INIZCTEOSA-N 2 2 416.363 3.688 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472302330 993315420 /nfs/dbraw/zinc/31/54/20/993315420.db2.gz WRKYSVZBUYXYMD-CTNGQTDRSA-N 2 2 412.603 3.658 20 0 HHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472302330 993315424 /nfs/dbraw/zinc/31/54/24/993315424.db2.gz WRKYSVZBUYXYMD-CTNGQTDRSA-N 2 2 412.603 3.658 20 0 HHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480903317 993759833 /nfs/dbraw/zinc/75/98/33/993759833.db2.gz CZTNRJJIQICVKE-LJQANCHMSA-N 2 2 411.546 3.515 20 0 HHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907896 993763839 /nfs/dbraw/zinc/76/38/39/993763839.db2.gz KONQLLXWQXNYFL-WMZHIEFXSA-N 2 2 415.541 3.729 20 0 HHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000480907896 993763846 /nfs/dbraw/zinc/76/38/46/993763846.db2.gz KONQLLXWQXNYFL-WMZHIEFXSA-N 2 2 415.541 3.729 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082057 993921053 /nfs/dbraw/zinc/92/10/53/993921053.db2.gz VTKAEDPDDDTDTD-KDOFPFPSSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000481082057 993921056 /nfs/dbraw/zinc/92/10/56/993921056.db2.gz VTKAEDPDDDTDTD-KDOFPFPSSA-N 2 2 407.345 3.787 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000481169301 994000467 /nfs/dbraw/zinc/00/04/67/994000467.db2.gz NFLMMSXEKPYHQB-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000481169301 994000480 /nfs/dbraw/zinc/00/04/80/994000480.db2.gz NFLMMSXEKPYHQB-WFXMLNOXSA-N 2 2 411.546 3.531 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169095 994000571 /nfs/dbraw/zinc/00/05/71/994000571.db2.gz SAOJSABDBNPQOH-WTOYTKOKSA-N 2 2 403.615 3.572 20 0 HHADLP CC[C@H](C)n1nc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000481169095 994000580 /nfs/dbraw/zinc/00/05/80/994000580.db2.gz SAOJSABDBNPQOH-WTOYTKOKSA-N 2 2 403.615 3.572 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195829 994029432 /nfs/dbraw/zinc/02/94/32/994029432.db2.gz YAWLRPKAGXIOAZ-OXQOHEQNSA-N 2 2 401.938 3.787 20 0 HHADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195829 994029442 /nfs/dbraw/zinc/02/94/42/994029442.db2.gz YAWLRPKAGXIOAZ-OXQOHEQNSA-N 2 2 401.938 3.787 20 0 HHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)ccc1S(C)(=O)=O ZINC000481300773 994116585 /nfs/dbraw/zinc/11/65/85/994116585.db2.gz UZSWILOVQHIPSX-SFHVURJKSA-N 2 2 416.587 3.722 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000481556396 994389361 /nfs/dbraw/zinc/38/93/61/994389361.db2.gz ITTKDQNUEUZFHV-SUMDDJOVSA-N 2 2 424.372 3.628 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000481556396 994389373 /nfs/dbraw/zinc/38/93/73/994389373.db2.gz ITTKDQNUEUZFHV-SUMDDJOVSA-N 2 2 424.372 3.628 20 0 HHADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)c2)CC1 ZINC000473830757 994762007 /nfs/dbraw/zinc/76/20/07/994762007.db2.gz SOQULVJUYSYOCY-UHFFFAOYSA-N 2 2 424.593 3.749 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000473944775 994920458 /nfs/dbraw/zinc/92/04/58/994920458.db2.gz LTJCYMHJWUAVPY-PMACEKPBSA-N 2 2 421.589 3.506 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482020284 994932284 /nfs/dbraw/zinc/93/22/84/994932284.db2.gz PDPBIOHRYCHRPQ-PKTZIBPZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@H]2[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482020284 994932293 /nfs/dbraw/zinc/93/22/93/994932293.db2.gz PDPBIOHRYCHRPQ-PKTZIBPZSA-N 2 2 402.498 3.589 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000482022552 994936337 /nfs/dbraw/zinc/93/63/37/994936337.db2.gz YDXFAYMAMSILLV-LADGPHEKSA-N 2 2 416.525 3.897 20 0 HHADLP COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000482022552 994936348 /nfs/dbraw/zinc/93/63/48/994936348.db2.gz YDXFAYMAMSILLV-LADGPHEKSA-N 2 2 416.525 3.897 20 0 HHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035380 994953539 /nfs/dbraw/zinc/95/35/39/994953539.db2.gz ABLRYDRBKIPZNN-OFNKIYASSA-N 2 2 409.574 3.859 20 0 HHADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1OCc1ccccc1 ZINC000482035380 994953543 /nfs/dbraw/zinc/95/35/43/994953543.db2.gz ABLRYDRBKIPZNN-OFNKIYASSA-N 2 2 409.574 3.859 20 0 HHADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000482106588 995052640 /nfs/dbraw/zinc/05/26/40/995052640.db2.gz BRSVNMHKZOWATL-LJQANCHMSA-N 2 2 418.541 3.765 20 0 HHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482107798 995054539 /nfs/dbraw/zinc/05/45/39/995054539.db2.gz GALJTWVADFIDNZ-INIZCTEOSA-N 2 2 415.607 3.534 20 0 HHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)o2)cc1 ZINC000482205908 995188612 /nfs/dbraw/zinc/18/86/12/995188612.db2.gz IESVJHXSDQHBGU-UHFFFAOYSA-N 2 2 400.519 3.712 20 0 HHADLP COc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+]2CCCC2)cc1 ZINC000474204060 995200424 /nfs/dbraw/zinc/20/04/24/995200424.db2.gz BWDGWFRWHDOHHJ-XMSQKQJNSA-N 2 2 410.562 3.600 20 0 HHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000482224016 995208389 /nfs/dbraw/zinc/20/83/89/995208389.db2.gz OUURBEBGPNNJTN-YADHBBJMSA-N 2 2 412.530 3.591 20 0 HHADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000474228776 995224035 /nfs/dbraw/zinc/22/40/35/995224035.db2.gz UKXJCDYGNJDKAF-RUZDIDTESA-N 2 2 421.585 3.589 20 0 HHADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000474228776 995224044 /nfs/dbraw/zinc/22/40/44/995224044.db2.gz UKXJCDYGNJDKAF-RUZDIDTESA-N 2 2 421.585 3.589 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)C1 ZINC000474255357 995253977 /nfs/dbraw/zinc/25/39/77/995253977.db2.gz XVNDIJQFVVEGIM-RTBURBONSA-N 2 2 405.546 3.812 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC000474412391 995378596 /nfs/dbraw/zinc/37/85/96/995378596.db2.gz IGYGRUXRLOPDKT-OAQYLSRUSA-N 2 2 400.473 3.822 20 0 HHADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)([NH+]2CCCCC2)CC1 ZINC000474449018 995411305 /nfs/dbraw/zinc/41/13/05/995411305.db2.gz HSKCMIKJZJBEMQ-IRLDBZIGSA-N 2 2 416.585 3.711 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438174 995431774 /nfs/dbraw/zinc/43/17/74/995431774.db2.gz LWQDJKGEGUDQPE-GHTZIAJQSA-N 2 2 407.537 3.930 20 0 HHADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000482438174 995431790 /nfs/dbraw/zinc/43/17/90/995431790.db2.gz LWQDJKGEGUDQPE-GHTZIAJQSA-N 2 2 407.537 3.930 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000482457831 995460605 /nfs/dbraw/zinc/46/06/05/995460605.db2.gz VYSNVCMDCYJCFY-DUXKGJEZSA-N 2 2 416.614 3.655 20 0 HHADLP C[C@H](C1CC1)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000482457831 995460607 /nfs/dbraw/zinc/46/06/07/995460607.db2.gz VYSNVCMDCYJCFY-DUXKGJEZSA-N 2 2 416.614 3.655 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474539829 995506984 /nfs/dbraw/zinc/50/69/84/995506984.db2.gz GMBFAUNKISWBGX-ZGIUJUBFSA-N 2 2 408.949 3.540 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474539829 995506991 /nfs/dbraw/zinc/50/69/91/995506991.db2.gz GMBFAUNKISWBGX-ZGIUJUBFSA-N 2 2 408.949 3.540 20 0 HHADLP CC(C)C[C@@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000474735318 995668954 /nfs/dbraw/zinc/66/89/54/995668954.db2.gz KOYWRZZLQFTVOP-GOTSBHOMSA-N 2 2 423.605 3.702 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)C2 ZINC000474789171 995711713 /nfs/dbraw/zinc/71/17/13/995711713.db2.gz VNFZSSORPOBVLV-UWJYYQICSA-N 2 2 422.573 3.742 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC3(CC[NH+](C)CC3)Oc3ccccc31)CC2 ZINC000474789171 995711722 /nfs/dbraw/zinc/71/17/22/995711722.db2.gz VNFZSSORPOBVLV-UWJYYQICSA-N 2 2 422.573 3.742 20 0 HHADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000482883973 995816420 /nfs/dbraw/zinc/81/64/20/995816420.db2.gz DIXFZHPOETVQFZ-KBPBESRZSA-N 2 2 408.436 3.633 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973027 995837145 /nfs/dbraw/zinc/83/71/45/995837145.db2.gz MNOMRGQAWSEJLZ-RDTXWAMCSA-N 2 2 407.345 3.787 20 0 HHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000474973027 995837152 /nfs/dbraw/zinc/83/71/52/995837152.db2.gz MNOMRGQAWSEJLZ-RDTXWAMCSA-N 2 2 407.345 3.787 20 0 HHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(N2CCOCC2)c1 ZINC000482907731 995837680 /nfs/dbraw/zinc/83/76/80/995837680.db2.gz YLOHIHBCQOEJTI-HXUWFJFHSA-N 2 2 403.636 3.926 20 0 HHADLP CC[N@H+](Cc1nccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474973871 995837856 /nfs/dbraw/zinc/83/78/56/995837856.db2.gz OGHDVUAOWSTBOO-UHFFFAOYSA-N 2 2 413.566 3.812 20 0 HHADLP CC[N@@H+](Cc1nccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000474973871 995837864 /nfs/dbraw/zinc/83/78/64/995837864.db2.gz OGHDVUAOWSTBOO-UHFFFAOYSA-N 2 2 413.566 3.812 20 0 HHADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475173782 995971486 /nfs/dbraw/zinc/97/14/86/995971486.db2.gz JFCIRFNMGLQENQ-QHCPKHFHSA-N 2 2 421.589 3.878 20 0 HHADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475173782 995971493 /nfs/dbraw/zinc/97/14/93/995971493.db2.gz JFCIRFNMGLQENQ-QHCPKHFHSA-N 2 2 421.589 3.878 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000475177590 995974498 /nfs/dbraw/zinc/97/44/98/995974498.db2.gz ZKAFATIYYQTJNX-UHFFFAOYSA-N 2 2 412.484 3.651 20 0 HHADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475182526 995978890 /nfs/dbraw/zinc/97/88/90/995978890.db2.gz LNOPBKOAJGIOSC-QHCPKHFHSA-N 2 2 403.530 3.678 20 0 HHADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475182526 995978894 /nfs/dbraw/zinc/97/88/94/995978894.db2.gz LNOPBKOAJGIOSC-QHCPKHFHSA-N 2 2 403.530 3.678 20 0 HHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149802 996004007 /nfs/dbraw/zinc/00/40/07/996004007.db2.gz XQIPRNFMLSRGBF-GOSISDBHSA-N 2 2 405.583 3.595 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225280 996008649 /nfs/dbraw/zinc/00/86/49/996008649.db2.gz URJLIOZDYXWHQK-SESVDKBCSA-N 2 2 418.628 3.932 20 0 HHADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000475225280 996008652 /nfs/dbraw/zinc/00/86/52/996008652.db2.gz URJLIOZDYXWHQK-SESVDKBCSA-N 2 2 418.628 3.932 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)C2 ZINC000475314002 996064196 /nfs/dbraw/zinc/06/41/96/996064196.db2.gz GOIPYBAQNOXBTG-HNNXBMFYSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)CC2 ZINC000475314002 996064199 /nfs/dbraw/zinc/06/41/99/996064199.db2.gz GOIPYBAQNOXBTG-HNNXBMFYSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C2 ZINC000475321192 996069140 /nfs/dbraw/zinc/06/91/40/996069140.db2.gz XILQJCXNJXKEGF-INIZCTEOSA-N 2 2 404.505 3.507 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)CC2 ZINC000475321192 996069143 /nfs/dbraw/zinc/06/91/43/996069143.db2.gz XILQJCXNJXKEGF-INIZCTEOSA-N 2 2 404.505 3.507 20 0 HHADLP CCOc1c(OC)cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475352652 996085188 /nfs/dbraw/zinc/08/51/88/996085188.db2.gz ORKDBEDZSZFLKJ-UHFFFAOYSA-N 2 2 416.484 3.997 20 0 HHADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470072 996200651 /nfs/dbraw/zinc/20/06/51/996200651.db2.gz FTNRZCURFVRVKB-NZQKXSOJSA-N 2 2 401.570 3.903 20 0 HHADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470072 996200657 /nfs/dbraw/zinc/20/06/57/996200657.db2.gz FTNRZCURFVRVKB-NZQKXSOJSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470072 996200659 /nfs/dbraw/zinc/20/06/59/996200659.db2.gz FTNRZCURFVRVKB-NZQKXSOJSA-N 2 2 401.570 3.903 20 0 HHADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC[C@H]21 ZINC000483470072 996200663 /nfs/dbraw/zinc/20/06/63/996200663.db2.gz FTNRZCURFVRVKB-NZQKXSOJSA-N 2 2 401.570 3.903 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483555537 996247721 /nfs/dbraw/zinc/24/77/21/996247721.db2.gz SRDMIFRWLRKPEW-LADGPHEKSA-N 2 2 400.526 3.999 20 0 HHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483555537 996247727 /nfs/dbraw/zinc/24/77/27/996247727.db2.gz SRDMIFRWLRKPEW-LADGPHEKSA-N 2 2 400.526 3.999 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739866 996339047 /nfs/dbraw/zinc/33/90/47/996339047.db2.gz XYQJWWSOJSWDKX-AZGAKELHSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000475739866 996339052 /nfs/dbraw/zinc/33/90/52/996339052.db2.gz XYQJWWSOJSWDKX-AZGAKELHSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475739866 996339057 /nfs/dbraw/zinc/33/90/57/996339057.db2.gz XYQJWWSOJSWDKX-AZGAKELHSA-N 2 2 422.569 3.617 20 0 HHADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475739866 996339063 /nfs/dbraw/zinc/33/90/63/996339063.db2.gz XYQJWWSOJSWDKX-AZGAKELHSA-N 2 2 422.569 3.617 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000483812224 996404094 /nfs/dbraw/zinc/40/40/94/996404094.db2.gz YTATXBXFZAZUMD-GOSISDBHSA-N 2 2 420.548 3.635 20 0 HHADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000483812224 996404099 /nfs/dbraw/zinc/40/40/99/996404099.db2.gz YTATXBXFZAZUMD-GOSISDBHSA-N 2 2 420.548 3.635 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000475907495 996460496 /nfs/dbraw/zinc/46/04/96/996460496.db2.gz VCIHRKAGDVUTOX-UHFFFAOYSA-N 2 2 402.445 3.592 20 0 HHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000484105317 996573405 /nfs/dbraw/zinc/57/34/05/996573405.db2.gz VFLAFMOJTFVLLF-QFIPXVFZSA-N 2 2 406.530 3.889 20 0 HHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000484125666 996584141 /nfs/dbraw/zinc/58/41/41/996584141.db2.gz HJQSFTOJJOJVGI-UXHICEINSA-N 2 2 405.546 3.818 20 0 HHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151307 996601530 /nfs/dbraw/zinc/60/15/30/996601530.db2.gz GIEFOIRTZBLPLW-NNWRFLSQSA-N 2 2 422.491 3.866 20 0 HHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000484151307 996601535 /nfs/dbraw/zinc/60/15/35/996601535.db2.gz GIEFOIRTZBLPLW-NNWRFLSQSA-N 2 2 422.491 3.866 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000484166337 996611673 /nfs/dbraw/zinc/61/16/73/996611673.db2.gz VKUIATBBTNPDPW-RTWAWAEBSA-N 2 2 419.338 3.802 20 0 HHADLP O[C@]1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000484166337 996611676 /nfs/dbraw/zinc/61/16/76/996611676.db2.gz VKUIATBBTNPDPW-RTWAWAEBSA-N 2 2 419.338 3.802 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000476139309 996628581 /nfs/dbraw/zinc/62/85/81/996628581.db2.gz HVKXDOMXFFTQCK-SZNDQCEHSA-N 2 2 418.513 3.884 20 0 HHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000476139309 996628586 /nfs/dbraw/zinc/62/85/86/996628586.db2.gz HVKXDOMXFFTQCK-SZNDQCEHSA-N 2 2 418.513 3.884 20 0 HHADLP CN(C(=O)[C@H]1CCCc2c(O)cccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000476333663 996762149 /nfs/dbraw/zinc/76/21/49/996762149.db2.gz DJPXKQPIMQBGDQ-ZRBLBEILSA-N 2 2 413.606 3.608 20 0 HHADLP CN(C(=O)[C@H]1CCCc2c(O)cccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476333663 996762151 /nfs/dbraw/zinc/76/21/51/996762151.db2.gz DJPXKQPIMQBGDQ-ZRBLBEILSA-N 2 2 413.606 3.608 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nnn1-c1ccc(C)cc1 ZINC000484485192 996807222 /nfs/dbraw/zinc/80/72/22/996807222.db2.gz JKHBWCUJHVTAJA-IBGZPJMESA-N 2 2 419.573 3.692 20 0 HHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nnn1-c1ccc(C)cc1 ZINC000484485195 996807324 /nfs/dbraw/zinc/80/73/24/996807324.db2.gz JKHBWCUJHVTAJA-LJQANCHMSA-N 2 2 419.573 3.692 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000484499187 996825583 /nfs/dbraw/zinc/82/55/83/996825583.db2.gz LQJLXVONHLDOBI-TUACAJSNSA-N 2 2 409.574 3.948 20 0 HHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC[C@H]2CCCO2)c1 ZINC000484499187 996825597 /nfs/dbraw/zinc/82/55/97/996825597.db2.gz LQJLXVONHLDOBI-TUACAJSNSA-N 2 2 409.574 3.948 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000476431218 996901254 /nfs/dbraw/zinc/90/12/54/996901254.db2.gz JAQDGDVFTMLKPD-IBGZPJMESA-N 2 2 410.965 3.619 20 0 HHADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000476431218 996901264 /nfs/dbraw/zinc/90/12/64/996901264.db2.gz JAQDGDVFTMLKPD-IBGZPJMESA-N 2 2 410.965 3.619 20 0 HHADLP COc1cc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000484642854 996977256 /nfs/dbraw/zinc/97/72/56/996977256.db2.gz RAXCEDUIQLFFSH-WIYYLYMNSA-N 2 2 406.530 3.815 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CCC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000476567123 997062829 /nfs/dbraw/zinc/06/28/29/997062829.db2.gz QEJZTJXYOOTYHY-LJQANCHMSA-N 2 2 409.578 3.798 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CCC1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000476567123 997062838 /nfs/dbraw/zinc/06/28/38/997062838.db2.gz QEJZTJXYOOTYHY-LJQANCHMSA-N 2 2 409.578 3.798 20 0 HHADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCCC1CCCCC1 ZINC000476576813 997076965 /nfs/dbraw/zinc/07/69/65/997076965.db2.gz FSBNTYRLLMLRON-UHFFFAOYSA-N 3 2 420.686 3.591 20 0 HHADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCCC1CCCCC1 ZINC000476576813 997076979 /nfs/dbraw/zinc/07/69/79/997076979.db2.gz FSBNTYRLLMLRON-UHFFFAOYSA-N 3 2 420.686 3.591 20 0 HHADLP O=C(CC[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000484792585 997143141 /nfs/dbraw/zinc/14/31/41/997143141.db2.gz DQGDJDUPSAGSLP-UHFFFAOYSA-N 2 2 420.479 3.575 20 0 HHADLP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000476770567 997327752 /nfs/dbraw/zinc/32/77/52/997327752.db2.gz VGCSLFHMYJANFC-GOSISDBHSA-N 2 2 403.615 3.892 20 0 HHADLP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000476770571 997327875 /nfs/dbraw/zinc/32/78/75/997327875.db2.gz VGCSLFHMYJANFC-SFHVURJKSA-N 2 2 403.615 3.892 20 0 HHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000476828696 997389066 /nfs/dbraw/zinc/38/90/66/997389066.db2.gz YOUGQEAWYZMTNJ-VQTJNVASSA-N 2 2 411.590 3.885 20 0 HHADLP C[NH+](C)CCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1-c1ccccc1 ZINC000485116103 997499308 /nfs/dbraw/zinc/49/93/08/997499308.db2.gz FKMRYNNGIRCSED-UHFFFAOYSA-N 2 2 418.476 3.689 20 0 HHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000476987725 997613118 /nfs/dbraw/zinc/61/31/18/997613118.db2.gz RDQZWSWFSQMLNI-IBGZPJMESA-N 2 2 423.623 3.541 20 0 HHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000476987725 997613123 /nfs/dbraw/zinc/61/31/23/997613123.db2.gz RDQZWSWFSQMLNI-IBGZPJMESA-N 2 2 423.623 3.541 20 0 HHADLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC000476991664 997618132 /nfs/dbraw/zinc/61/81/32/997618132.db2.gz ZBJLRBIHSXKHMR-SFHVURJKSA-N 2 2 403.567 3.619 20 0 HHADLP COc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(OC)c1 ZINC000476991664 997618148 /nfs/dbraw/zinc/61/81/48/997618148.db2.gz ZBJLRBIHSXKHMR-SFHVURJKSA-N 2 2 403.567 3.619 20 0 HHADLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Br)c1O ZINC000485247062 997631960 /nfs/dbraw/zinc/63/19/60/997631960.db2.gz DLNQDKAUSITMIH-CQSZACIVSA-N 2 2 408.340 3.742 20 0 HHADLP CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Br)c1O ZINC000485247062 997631970 /nfs/dbraw/zinc/63/19/70/997631970.db2.gz DLNQDKAUSITMIH-CQSZACIVSA-N 2 2 408.340 3.742 20 0 HHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292278 997693925 /nfs/dbraw/zinc/69/39/25/997693925.db2.gz MHBGMMTYLOZFFP-LEWJYISDSA-N 2 2 423.605 3.816 20 0 HHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000485292278 997693933 /nfs/dbraw/zinc/69/39/33/997693933.db2.gz MHBGMMTYLOZFFP-LEWJYISDSA-N 2 2 423.605 3.816 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC([NH+]3CCC(C(F)(F)F)CC3)C1)C2 ZINC000477149581 997808445 /nfs/dbraw/zinc/80/84/45/997808445.db2.gz FXSVALXOMKOXBM-IUDNXUCKSA-N 2 2 412.500 3.560 20 0 HHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000477149581 997808452 /nfs/dbraw/zinc/80/84/52/997808452.db2.gz FXSVALXOMKOXBM-IUDNXUCKSA-N 2 2 412.500 3.560 20 0 HHADLP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2)CC1 ZINC000485585507 998033218 /nfs/dbraw/zinc/03/32/18/998033218.db2.gz AKHQWSDDUAOOOT-HSZRJFAPSA-N 2 2 423.605 3.816 20 0 HHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000486281543 998694048 /nfs/dbraw/zinc/69/40/48/998694048.db2.gz IOQXDNQSSYOFCG-LJQANCHMSA-N 2 2 403.929 3.935 20 0 HHADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000486281543 998694049 /nfs/dbraw/zinc/69/40/49/998694049.db2.gz IOQXDNQSSYOFCG-LJQANCHMSA-N 2 2 403.929 3.935 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000478054594 998739154 /nfs/dbraw/zinc/73/91/54/998739154.db2.gz RZIVFPPKPFLOBP-MRXNPFEDSA-N 2 2 423.399 3.759 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000478054594 998739156 /nfs/dbraw/zinc/73/91/56/998739156.db2.gz RZIVFPPKPFLOBP-MRXNPFEDSA-N 2 2 423.399 3.759 20 0 HHADLP C[C@@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000478180521 998806882 /nfs/dbraw/zinc/80/68/82/998806882.db2.gz QHFARZLZDKJFFQ-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[C@@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000478180521 998806887 /nfs/dbraw/zinc/80/68/87/998806887.db2.gz QHFARZLZDKJFFQ-DENIHFKCSA-N 2 2 407.562 3.534 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000486757647 998926246 /nfs/dbraw/zinc/92/62/46/998926246.db2.gz BFBZYENVZQMOIT-ISJGIBHGSA-N 2 2 424.633 3.913 20 0 HHADLP COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000478626656 999052558 /nfs/dbraw/zinc/05/25/58/999052558.db2.gz YVHGTDHZWSWQMP-QFIPXVFZSA-N 2 2 403.530 3.905 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487080705 999057455 /nfs/dbraw/zinc/05/74/55/999057455.db2.gz YSEPZUPEYKLYQI-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487080705 999057460 /nfs/dbraw/zinc/05/74/60/999057460.db2.gz YSEPZUPEYKLYQI-DENIHFKCSA-N 2 2 403.530 3.582 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487086938 999058746 /nfs/dbraw/zinc/05/87/46/999058746.db2.gz HZGHIUSDWWPEDC-NHCUHLMSSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000487086938 999058750 /nfs/dbraw/zinc/05/87/50/999058750.db2.gz HZGHIUSDWWPEDC-NHCUHLMSSA-N 2 2 419.520 3.773 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000479436523 999416341 /nfs/dbraw/zinc/41/63/41/999416341.db2.gz JQGYVUYJUTVYTN-XXBNENTESA-N 2 2 415.603 3.656 20 0 HHADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000479436523 999416342 /nfs/dbraw/zinc/41/63/42/999416342.db2.gz JQGYVUYJUTVYTN-XXBNENTESA-N 2 2 415.603 3.656 20 0 HHADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479492938 999442872 /nfs/dbraw/zinc/44/28/72/999442872.db2.gz XKWXVGGMLCEIOF-ODIFPOPNSA-N 2 2 414.468 3.694 20 0 HHADLP COc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479544416 999469852 /nfs/dbraw/zinc/46/98/52/999469852.db2.gz PXFSFAUDIYEARF-UHFFFAOYSA-N 2 2 405.336 3.580 20 0 HHADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000479557299 999476210 /nfs/dbraw/zinc/47/62/10/999476210.db2.gz LGCWIPZLBAQNFW-UHFFFAOYSA-N 2 2 417.962 3.711 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000488476193 999500169 /nfs/dbraw/zinc/50/01/69/999500169.db2.gz KQHDRRMVOMSYJY-SIKLNZKXSA-N 2 2 422.598 3.903 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000488476193 999500174 /nfs/dbraw/zinc/50/01/74/999500174.db2.gz KQHDRRMVOMSYJY-SIKLNZKXSA-N 2 2 422.598 3.903 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787693 999592964 /nfs/dbraw/zinc/59/29/64/999592964.db2.gz WRLJDCAOTDMETB-MAODMQOUSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787693 999592968 /nfs/dbraw/zinc/59/29/68/999592968.db2.gz WRLJDCAOTDMETB-MAODMQOUSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787693 999592970 /nfs/dbraw/zinc/59/29/70/999592970.db2.gz WRLJDCAOTDMETB-MAODMQOUSA-N 2 2 408.537 3.664 20 0 HHADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479787693 999592974 /nfs/dbraw/zinc/59/29/74/999592974.db2.gz WRLJDCAOTDMETB-MAODMQOUSA-N 2 2 408.537 3.664 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488788305 999607759 /nfs/dbraw/zinc/60/77/59/999607759.db2.gz SCPDZBBHKPCJTG-QJWFJBDNSA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)CC1CC(OC(C)(C)C)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488788305 999607762 /nfs/dbraw/zinc/60/77/62/999607762.db2.gz SCPDZBBHKPCJTG-QJWFJBDNSA-N 2 2 407.643 3.766 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489147751 999711762 /nfs/dbraw/zinc/71/17/62/999711762.db2.gz MJJRFTVEOIXDAZ-FGZHOGPDSA-N 2 2 412.553 3.783 20 0 HHADLP CN(C(=O)c1cnc2c(F)cccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489147751 999711764 /nfs/dbraw/zinc/71/17/64/999711764.db2.gz MJJRFTVEOIXDAZ-FGZHOGPDSA-N 2 2 412.553 3.783 20 0 HHADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000480087926 999713746 /nfs/dbraw/zinc/71/37/46/999713746.db2.gz QARDADGNHCODRM-YNJKOYDBSA-N 2 2 408.590 3.727 20 0 HHADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCC2)c1 ZINC000480087926 999713748 /nfs/dbraw/zinc/71/37/48/999713748.db2.gz QARDADGNHCODRM-YNJKOYDBSA-N 2 2 408.590 3.727 20 0 HHADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489226823 999726288 /nfs/dbraw/zinc/72/62/88/999726288.db2.gz SDKWNDDIZHOHPY-HSZRJFAPSA-N 2 2 400.611 3.940 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000489258886 999731972 /nfs/dbraw/zinc/73/19/72/999731972.db2.gz TYWQHQPDJIOZST-WOJBJXKFSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000489258886 999731975 /nfs/dbraw/zinc/73/19/75/999731975.db2.gz TYWQHQPDJIOZST-WOJBJXKFSA-N 2 2 406.574 3.986 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000489294621 999739229 /nfs/dbraw/zinc/73/92/29/999739229.db2.gz OWFWIMPVOROZBW-SFHVURJKSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000489294621 999739232 /nfs/dbraw/zinc/73/92/32/999739232.db2.gz OWFWIMPVOROZBW-SFHVURJKSA-N 2 2 414.981 3.978 20 0 HHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000489333335 999747530 /nfs/dbraw/zinc/74/75/30/999747530.db2.gz RBTMRNREVZZRNI-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000489333335 999747531 /nfs/dbraw/zinc/74/75/31/999747531.db2.gz RBTMRNREVZZRNI-GOSISDBHSA-N 2 2 408.546 3.850 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3cccc(F)c3)C(C)(C)C)CC2)CC1 ZINC000489392205 999757142 /nfs/dbraw/zinc/75/71/42/999757142.db2.gz MTNVRTKEJQWPMX-OAQYLSRUSA-N 2 2 404.574 3.771 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410422 999761268 /nfs/dbraw/zinc/76/12/68/999761268.db2.gz YSMKMRAVTORVOJ-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000489410422 999761271 /nfs/dbraw/zinc/76/12/71/999761271.db2.gz YSMKMRAVTORVOJ-KNQAVFIVSA-N 2 2 403.530 3.582 20 0 HHADLP COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2nccn2C)cc1 ZINC000480342768 999775715 /nfs/dbraw/zinc/77/57/15/999775715.db2.gz IPQXXNXLXGOBNA-FDDCHVKYSA-N 2 2 408.546 3.809 20 0 HHADLP Cc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000489619758 999804120 /nfs/dbraw/zinc/80/41/20/999804120.db2.gz PYEBGXTUPLJLKT-UHFFFAOYSA-N 2 2 421.589 3.665 20 0 HHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCCOc3ccc(C(F)(F)F)cn3)sc2C1 ZINC000480482806 999808946 /nfs/dbraw/zinc/80/89/46/999808946.db2.gz MWWPZBLNQOEAJD-UHFFFAOYSA-N 2 2 414.497 3.882 20 0 HHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCOc3ccc(C(F)(F)F)cn3)sc2C1 ZINC000480482806 999808950 /nfs/dbraw/zinc/80/89/50/999808950.db2.gz MWWPZBLNQOEAJD-UHFFFAOYSA-N 2 2 414.497 3.882 20 0 HHADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(F)cc1 ZINC000480528426 999819095 /nfs/dbraw/zinc/81/90/95/999819095.db2.gz QVPDGMCRLGRVAY-QGZVFWFLSA-N 2 2 404.493 3.853 20 0 HHADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490986112 1000030446 /nfs/dbraw/zinc/03/04/46/1000030446.db2.gz CWXJCQLJAOOLJP-HXUWFJFHSA-N 2 2 414.575 3.787 20 0 HHADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)cn2c1 ZINC000490998596 1000032064 /nfs/dbraw/zinc/03/20/64/1000032064.db2.gz VKGATRJXDAWUNS-HXUWFJFHSA-N 2 2 414.619 3.991 20 0 HHADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000491214453 1000055847 /nfs/dbraw/zinc/05/58/47/1000055847.db2.gz XPXKQMRSOBIHDZ-SFHVURJKSA-N 2 2 403.530 3.862 20 0 HHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000491902484 1000100130 /nfs/dbraw/zinc/10/01/30/1000100130.db2.gz RUNJQRDYPVOHNQ-SIKLNZKXSA-N 2 2 418.545 3.843 20 0 HHADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000491902484 1000100133 /nfs/dbraw/zinc/10/01/33/1000100133.db2.gz RUNJQRDYPVOHNQ-SIKLNZKXSA-N 2 2 418.545 3.843 20 0 HHADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492236647 1000117001 /nfs/dbraw/zinc/11/70/01/1000117001.db2.gz JTMAVAWGRCCBHM-FQEVSTJZSA-N 2 2 424.936 3.938 20 0 HHADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OC(C)C)c(Cl)c3)CC2)CC1 ZINC000493081951 1000156728 /nfs/dbraw/zinc/15/67/28/1000156728.db2.gz SIXUXGOKRJOKIR-UHFFFAOYSA-N 2 2 422.013 3.893 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000494339606 1000441020 /nfs/dbraw/zinc/44/10/20/1000441020.db2.gz FXVKHLHCHWKMBQ-QGZVFWFLSA-N 2 2 409.755 3.611 20 0 HHADLP O[C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000494339606 1000441026 /nfs/dbraw/zinc/44/10/26/1000441026.db2.gz FXVKHLHCHWKMBQ-QGZVFWFLSA-N 2 2 409.755 3.611 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)n2)c1 ZINC000494342271 1000442405 /nfs/dbraw/zinc/44/24/05/1000442405.db2.gz WDGZMRHMFRDXEE-OYNPSCLESA-N 2 2 402.546 3.736 20 0 HHADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)n2)c1 ZINC000494342271 1000442410 /nfs/dbraw/zinc/44/24/10/1000442410.db2.gz WDGZMRHMFRDXEE-OYNPSCLESA-N 2 2 402.546 3.736 20 0 HHADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151087 1000580291 /nfs/dbraw/zinc/58/02/91/1000580291.db2.gz NJFULKZOEVMSJO-GGAORHGYSA-N 2 2 406.574 3.980 20 0 HHADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505151087 1000580298 /nfs/dbraw/zinc/58/02/98/1000580298.db2.gz NJFULKZOEVMSJO-GGAORHGYSA-N 2 2 406.574 3.980 20 0 HHADLP CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000505296893 1000680402 /nfs/dbraw/zinc/68/04/02/1000680402.db2.gz BWMGFIRIUCFPTM-HXUWFJFHSA-N 2 2 422.411 3.824 20 0 HHADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000494993500 1000767664 /nfs/dbraw/zinc/76/76/64/1000767664.db2.gz BQKDDFXZWVNZRY-GMAHTHKFSA-N 2 2 400.526 3.763 20 0 HHADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000494993500 1000767670 /nfs/dbraw/zinc/76/76/70/1000767670.db2.gz BQKDDFXZWVNZRY-GMAHTHKFSA-N 2 2 400.526 3.763 20 0 HHADLP C[NH+](C)CC1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000505485304 1000811096 /nfs/dbraw/zinc/81/10/96/1000811096.db2.gz ZWEIDABTLBSHEP-GQOXECLESA-N 2 2 422.411 3.823 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495818377 1001080949 /nfs/dbraw/zinc/08/09/49/1001080949.db2.gz AWXDHQBVKBBTON-CQSZACIVSA-N 2 2 418.434 3.958 20 0 HHADLP C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495818377 1001080956 /nfs/dbraw/zinc/08/09/56/1001080956.db2.gz AWXDHQBVKBBTON-CQSZACIVSA-N 2 2 418.434 3.958 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915090 1001591639 /nfs/dbraw/zinc/59/16/39/1001591639.db2.gz IKXFDKPKYFJQRO-OFNKIYASSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915090 1001591642 /nfs/dbraw/zinc/59/16/42/1001591642.db2.gz IKXFDKPKYFJQRO-OFNKIYASSA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915088 1001591888 /nfs/dbraw/zinc/59/18/88/1001591888.db2.gz IKXFDKPKYFJQRO-NFBKMPQASA-N 2 2 409.578 3.727 20 0 HHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000506915088 1001591895 /nfs/dbraw/zinc/59/18/95/1001591895.db2.gz IKXFDKPKYFJQRO-NFBKMPQASA-N 2 2 409.578 3.727 20 0 HHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928678 1001598505 /nfs/dbraw/zinc/59/85/05/1001598505.db2.gz BDKZDXSPYVXYEM-GMAHTHKFSA-N 2 2 423.605 3.770 20 0 HHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000506928678 1001598511 /nfs/dbraw/zinc/59/85/11/1001598511.db2.gz BDKZDXSPYVXYEM-GMAHTHKFSA-N 2 2 423.605 3.770 20 0 HHADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507056863 1001785478 /nfs/dbraw/zinc/78/54/78/1001785478.db2.gz JGZSWIKZAYMZOB-JTHBVZDNSA-N 2 2 421.589 3.946 20 0 HHADLP CC(C)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCC(C)CC1 ZINC000507099771 1001808230 /nfs/dbraw/zinc/80/82/30/1001808230.db2.gz CHFPDSIGOGCUSD-UNMCSNQZSA-N 2 2 415.626 3.865 20 0 HHADLP C[N@H+](CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507123849 1001822251 /nfs/dbraw/zinc/82/22/51/1001822251.db2.gz AWBBHEROWFBXNO-IBGZPJMESA-N 2 2 401.599 3.763 20 0 HHADLP C[N@@H+](CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000507123849 1001822260 /nfs/dbraw/zinc/82/22/60/1001822260.db2.gz AWBBHEROWFBXNO-IBGZPJMESA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185427 1001875213 /nfs/dbraw/zinc/87/52/13/1001875213.db2.gz XQOJSSDCIPHOFF-VQTJNVASSA-N 2 2 401.599 3.763 20 0 HHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507185427 1001875228 /nfs/dbraw/zinc/87/52/28/1001875228.db2.gz XQOJSSDCIPHOFF-VQTJNVASSA-N 2 2 401.599 3.763 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccco1 ZINC000507230652 1001917392 /nfs/dbraw/zinc/91/73/92/1001917392.db2.gz IZBLDMZBUZZDSP-AZUAARDMSA-N 2 2 413.566 3.785 20 0 HHADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[NH+](C)C)cc1 ZINC000507257230 1001941607 /nfs/dbraw/zinc/94/16/07/1001941607.db2.gz XUMGJTMLVZRTKX-IFMALSPDSA-N 2 2 409.578 3.720 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323053 1002001811 /nfs/dbraw/zinc/00/18/11/1002001811.db2.gz YNIHJJAJGZKMAU-ZCNNSNEGSA-N 2 2 415.626 3.865 20 0 HHADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507323053 1002001821 /nfs/dbraw/zinc/00/18/21/1002001821.db2.gz YNIHJJAJGZKMAU-ZCNNSNEGSA-N 2 2 415.626 3.865 20 0 HHADLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378902 1002035130 /nfs/dbraw/zinc/03/51/30/1002035130.db2.gz HBUWRPBMDIJKES-APWZRJJASA-N 2 2 410.965 3.647 20 0 HHADLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000507378902 1002035141 /nfs/dbraw/zinc/03/51/41/1002035141.db2.gz HBUWRPBMDIJKES-APWZRJJASA-N 2 2 410.965 3.647 20 0 HHADLP C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498774042 1002160341 /nfs/dbraw/zinc/16/03/41/1002160341.db2.gz DDLBBYDXAUZPBJ-HXUWFJFHSA-N 2 2 409.574 3.605 20 0 HHADLP C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498774042 1002160343 /nfs/dbraw/zinc/16/03/43/1002160343.db2.gz DDLBBYDXAUZPBJ-HXUWFJFHSA-N 2 2 409.574 3.605 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[N@@H+]1Cc1ccccc1 ZINC000507595869 1002202744 /nfs/dbraw/zinc/20/27/44/1002202744.db2.gz AJUYTVYRCKWTGE-BAGYTPMASA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[N@H+]1Cc1ccccc1 ZINC000507595869 1002202754 /nfs/dbraw/zinc/20/27/54/1002202754.db2.gz AJUYTVYRCKWTGE-BAGYTPMASA-N 2 2 421.589 3.771 20 0 HHADLP C[C@@H]1C[C@@]1(NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000507600477 1002206646 /nfs/dbraw/zinc/20/66/46/1002206646.db2.gz ROBDNUIMDVTCSD-JPYJTQIMSA-N 2 2 419.013 3.825 20 0 HHADLP Cn1ccnc1[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800059 1002352292 /nfs/dbraw/zinc/35/22/92/1002352292.db2.gz YDCQEIXGAPUDQE-BJKOFHAPSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccnc1[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800059 1002352278 /nfs/dbraw/zinc/35/22/78/1002352278.db2.gz YDCQEIXGAPUDQE-BJKOFHAPSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800061 1002352367 /nfs/dbraw/zinc/35/23/67/1002352367.db2.gz YDCQEIXGAPUDQE-RPWUZVMVSA-N 2 2 421.564 3.617 20 0 HHADLP Cn1ccnc1[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(F)c1 ZINC000507800061 1002352378 /nfs/dbraw/zinc/35/23/78/1002352378.db2.gz YDCQEIXGAPUDQE-RPWUZVMVSA-N 2 2 421.564 3.617 20 0 HHADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH+]2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141364 1002525225 /nfs/dbraw/zinc/52/52/25/1002525225.db2.gz LJQDFLGUZVERJM-PQEXVNNFSA-N 2 2 418.629 3.984 20 0 HHADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH+]2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141364 1002525236 /nfs/dbraw/zinc/52/52/36/1002525236.db2.gz LJQDFLGUZVERJM-PQEXVNNFSA-N 2 2 418.629 3.984 20 0 HHADLP CC[N@@H+](Cc1cnn(CC(F)F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508545363 1003020768 /nfs/dbraw/zinc/02/07/68/1003020768.db2.gz OQSJKMVXNWUEMR-UHFFFAOYSA-N 2 2 406.525 3.861 20 0 HHADLP CC[N@H+](Cc1cnn(CC(F)F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508545363 1003020757 /nfs/dbraw/zinc/02/07/57/1003020757.db2.gz OQSJKMVXNWUEMR-UHFFFAOYSA-N 2 2 406.525 3.861 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)cc1 ZINC000499676853 1003032511 /nfs/dbraw/zinc/03/25/11/1003032511.db2.gz FDZIUDGMMGZQOY-UGKGYDQZSA-N 2 2 407.558 3.770 20 0 HHADLP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)cc1 ZINC000499676853 1003032525 /nfs/dbraw/zinc/03/25/25/1003032525.db2.gz FDZIUDGMMGZQOY-UGKGYDQZSA-N 2 2 407.558 3.770 20 0 HHADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508632928 1003082973 /nfs/dbraw/zinc/08/29/73/1003082973.db2.gz BAYNEEBERPCPIF-MZKRTTBSSA-N 2 2 401.595 3.787 20 0 HHADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508632928 1003082983 /nfs/dbraw/zinc/08/29/83/1003082983.db2.gz BAYNEEBERPCPIF-MZKRTTBSSA-N 2 2 401.595 3.787 20 0 HHADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000509248011 1003652560 /nfs/dbraw/zinc/65/25/60/1003652560.db2.gz PRLVAIFUCYMTKX-NFBKMPQASA-N 2 2 406.574 3.702 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509342752 1003717987 /nfs/dbraw/zinc/71/79/87/1003717987.db2.gz MOUBWDCTRLBWNH-UHFFFAOYSA-N 2 2 401.558 3.864 20 0 HHADLP c1[nH]c2ncccc2c1C1=CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509342752 1003717997 /nfs/dbraw/zinc/71/79/97/1003717997.db2.gz MOUBWDCTRLBWNH-UHFFFAOYSA-N 2 2 401.558 3.864 20 0 HHADLP O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839176 1003816386 /nfs/dbraw/zinc/81/63/86/1003816386.db2.gz UFLSXHAAXPRWTF-ISJGIBHGSA-N 2 2 419.569 3.725 20 0 HHADLP O=C(C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000511839176 1003816398 /nfs/dbraw/zinc/81/63/98/1003816398.db2.gz UFLSXHAAXPRWTF-ISJGIBHGSA-N 2 2 419.569 3.725 20 0 HHADLP C[NH+](C)Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000500749372 1003935684 /nfs/dbraw/zinc/93/56/84/1003935684.db2.gz QWMAOKUBQDRYON-HXUWFJFHSA-N 2 2 401.938 3.631 20 0 HHADLP C[NH+](C)Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000500749372 1003935690 /nfs/dbraw/zinc/93/56/90/1003935690.db2.gz QWMAOKUBQDRYON-HXUWFJFHSA-N 2 2 401.938 3.631 20 0 HHADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)sc1Br ZINC000512122630 1004038453 /nfs/dbraw/zinc/03/84/53/1004038453.db2.gz LPRDPVGGYFPCQV-WMLDXEAASA-N 2 2 409.393 3.889 20 0 HHADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)sc1Br ZINC000512122630 1004038461 /nfs/dbraw/zinc/03/84/61/1004038461.db2.gz LPRDPVGGYFPCQV-WMLDXEAASA-N 2 2 409.393 3.889 20 0 HHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197615 1004098361 /nfs/dbraw/zinc/09/83/61/1004098361.db2.gz UAMVWHPLXBNKRC-HYBUGGRVSA-N 2 2 407.558 3.931 20 0 HHADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000512197615 1004098369 /nfs/dbraw/zinc/09/83/69/1004098369.db2.gz UAMVWHPLXBNKRC-HYBUGGRVSA-N 2 2 407.558 3.931 20 0 HHADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501031158 1004134758 /nfs/dbraw/zinc/13/47/58/1004134758.db2.gz XGPNPECQTOYZKB-YLJYHZDGSA-N 2 2 422.976 3.886 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237251 1004138981 /nfs/dbraw/zinc/13/89/81/1004138981.db2.gz OKFFCCPBMWLUBJ-CJFMBICVSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237251 1004138988 /nfs/dbraw/zinc/13/89/88/1004138988.db2.gz OKFFCCPBMWLUBJ-CJFMBICVSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512237251 1004138993 /nfs/dbraw/zinc/13/89/93/1004138993.db2.gz OKFFCCPBMWLUBJ-CJFMBICVSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512237251 1004139002 /nfs/dbraw/zinc/13/90/02/1004139002.db2.gz OKFFCCPBMWLUBJ-CJFMBICVSA-N 2 2 409.549 3.943 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000509848080 1004146169 /nfs/dbraw/zinc/14/61/69/1004146169.db2.gz AZKKITHVCGWILZ-VIZSFHNOSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000509848080 1004146172 /nfs/dbraw/zinc/14/61/72/1004146172.db2.gz AZKKITHVCGWILZ-VIZSFHNOSA-N 2 2 422.573 3.692 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848156 1004146220 /nfs/dbraw/zinc/14/62/20/1004146220.db2.gz BQPJRRHWXJVNJQ-SFTDATJTSA-N 2 2 424.589 3.939 20 0 HHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000509848156 1004146223 /nfs/dbraw/zinc/14/62/23/1004146223.db2.gz BQPJRRHWXJVNJQ-SFTDATJTSA-N 2 2 424.589 3.939 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000509848710 1004146884 /nfs/dbraw/zinc/14/68/84/1004146884.db2.gz CGOMIIYBFJLXAD-PWHSHALESA-N 2 2 410.562 3.720 20 0 HHADLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000509887212 1004181062 /nfs/dbraw/zinc/18/10/62/1004181062.db2.gz RJUXEAKQLAHGEB-UHFFFAOYSA-N 2 2 405.586 3.722 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000509893270 1004186801 /nfs/dbraw/zinc/18/68/01/1004186801.db2.gz JTDPHWCRBRVZIG-BDWAOYLISA-N 2 2 422.013 3.999 20 0 HHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000509893270 1004186807 /nfs/dbraw/zinc/18/68/07/1004186807.db2.gz JTDPHWCRBRVZIG-BDWAOYLISA-N 2 2 422.013 3.999 20 0 HHADLP CC[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000501139297 1004229645 /nfs/dbraw/zinc/22/96/45/1004229645.db2.gz ASYYZEJWDLSXKE-FQEVSTJZSA-N 2 2 401.595 3.645 20 0 HHADLP CC[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000501139298 1004229747 /nfs/dbraw/zinc/22/97/47/1004229747.db2.gz ASYYZEJWDLSXKE-HXUWFJFHSA-N 2 2 401.595 3.645 20 0 HHADLP COc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512359882 1004245673 /nfs/dbraw/zinc/24/56/73/1004245673.db2.gz OHUIVFRBKVGAPZ-UHFFFAOYSA-N 2 2 405.546 3.619 20 0 HHADLP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512359882 1004245675 /nfs/dbraw/zinc/24/56/75/1004245675.db2.gz OHUIVFRBKVGAPZ-UHFFFAOYSA-N 2 2 405.546 3.619 20 0 HHADLP Cn1nccc1-c1ccccc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000509993214 1004252341 /nfs/dbraw/zinc/25/23/41/1004252341.db2.gz SFLHWTBWDFAXKX-UHFFFAOYSA-N 2 2 417.601 3.775 20 0 HHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC(F)F ZINC000512384626 1004261895 /nfs/dbraw/zinc/26/18/95/1004261895.db2.gz STBUCDSWORSNRP-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC(F)F ZINC000512384626 1004261904 /nfs/dbraw/zinc/26/19/04/1004261904.db2.gz STBUCDSWORSNRP-UHFFFAOYSA-N 2 2 405.489 3.831 20 0 HHADLP c1c(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)onc1-c1ccccc1 ZINC000512428304 1004295056 /nfs/dbraw/zinc/29/50/56/1004295056.db2.gz RSXAFRFUJXWWNX-QHCPKHFHSA-N 2 2 402.542 3.734 20 0 HHADLP c1c(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)onc1-c1ccccc1 ZINC000512428304 1004295063 /nfs/dbraw/zinc/29/50/63/1004295063.db2.gz RSXAFRFUJXWWNX-QHCPKHFHSA-N 2 2 402.542 3.734 20 0 HHADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000501229238 1004298052 /nfs/dbraw/zinc/29/80/52/1004298052.db2.gz SCDSZDWEAIANLF-LJQANCHMSA-N 2 2 414.594 3.856 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)c3ncccc23)([NH+]2CCCCC2)CC1 ZINC000510062087 1004298385 /nfs/dbraw/zinc/29/83/85/1004298385.db2.gz ZWLGBZSCPKYQCD-UHFFFAOYSA-N 2 2 400.954 3.568 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2ccccc2Oc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000510073457 1004305410 /nfs/dbraw/zinc/30/54/10/1004305410.db2.gz SEHRWNLLCKDHHR-UHFFFAOYSA-N 2 2 408.546 3.554 20 0 HHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251516 1004426143 /nfs/dbraw/zinc/42/61/43/1004426143.db2.gz CONKFKQBDLMARA-UNMCSNQZSA-N 2 2 422.573 3.602 20 0 HHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510251516 1004426148 /nfs/dbraw/zinc/42/61/48/1004426148.db2.gz CONKFKQBDLMARA-UNMCSNQZSA-N 2 2 422.573 3.602 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000512691007 1004497368 /nfs/dbraw/zinc/49/73/68/1004497368.db2.gz QPIITWUHWDSZLO-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000512691007 1004497372 /nfs/dbraw/zinc/49/73/72/1004497372.db2.gz QPIITWUHWDSZLO-SZPZYZBQSA-N 2 2 408.590 3.651 20 0 HHADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701688 1004504568 /nfs/dbraw/zinc/50/45/68/1004504568.db2.gz SSYBTZZBJUXDLZ-HSZRJFAPSA-N 2 2 408.590 3.903 20 0 HHADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701688 1004504574 /nfs/dbraw/zinc/50/45/74/1004504574.db2.gz SSYBTZZBJUXDLZ-HSZRJFAPSA-N 2 2 408.590 3.903 20 0 HHADLP Fc1ccc(N2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1F ZINC000510570375 1004715383 /nfs/dbraw/zinc/71/53/83/1004715383.db2.gz MDNKBRZQVFHDEM-UHFFFAOYSA-N 2 2 414.544 3.689 20 0 HHADLP Fc1ccc(N2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1F ZINC000510570375 1004715388 /nfs/dbraw/zinc/71/53/88/1004715388.db2.gz MDNKBRZQVFHDEM-UHFFFAOYSA-N 2 2 414.544 3.689 20 0 HHADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000501785718 1004727789 /nfs/dbraw/zinc/72/77/89/1004727789.db2.gz MTZJPJKDKHNHDE-UHFFFAOYSA-N 2 2 411.472 3.574 20 0 HHADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC000512999250 1004752337 /nfs/dbraw/zinc/75/23/37/1004752337.db2.gz QMZHCZAZUJURQU-UHFFFAOYSA-N 2 2 422.356 3.944 20 0 HHADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000510611450 1004753166 /nfs/dbraw/zinc/75/31/66/1004753166.db2.gz BBBSVMOSHZDWJL-INIZCTEOSA-N 2 2 421.463 3.827 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510643892 1004774640 /nfs/dbraw/zinc/77/46/40/1004774640.db2.gz HBLRRWBAPJDTID-AMOARIBJSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510643892 1004774644 /nfs/dbraw/zinc/77/46/44/1004774644.db2.gz HBLRRWBAPJDTID-AMOARIBJSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510643892 1004774649 /nfs/dbraw/zinc/77/46/49/1004774649.db2.gz HBLRRWBAPJDTID-AMOARIBJSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510643892 1004774653 /nfs/dbraw/zinc/77/46/53/1004774653.db2.gz HBLRRWBAPJDTID-AMOARIBJSA-N 2 2 420.548 3.662 20 0 HHADLP C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000510673527 1004791691 /nfs/dbraw/zinc/79/16/91/1004791691.db2.gz DANTZWIIINVSSD-HXUWFJFHSA-N 2 2 417.553 3.639 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501877031 1004792122 /nfs/dbraw/zinc/79/21/22/1004792122.db2.gz ZBAKGOFEHVBYTI-XPKQXGJGSA-N 2 2 424.511 3.507 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501877031 1004792128 /nfs/dbraw/zinc/79/21/28/1004792128.db2.gz ZBAKGOFEHVBYTI-XPKQXGJGSA-N 2 2 424.511 3.507 20 0 HHADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510677867 1004794653 /nfs/dbraw/zinc/79/46/53/1004794653.db2.gz CAKDKQAPGQIDET-YUXAGFNASA-N 2 2 415.375 3.909 20 0 HHADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510677867 1004794656 /nfs/dbraw/zinc/79/46/56/1004794656.db2.gz CAKDKQAPGQIDET-YUXAGFNASA-N 2 2 415.375 3.909 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000510757084 1004835236 /nfs/dbraw/zinc/83/52/36/1004835236.db2.gz YPSVNBMLUXNBAD-UHFFFAOYSA-N 2 2 402.542 3.824 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000510757084 1004835243 /nfs/dbraw/zinc/83/52/43/1004835243.db2.gz YPSVNBMLUXNBAD-UHFFFAOYSA-N 2 2 402.542 3.824 20 0 HHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(c3nccs3)CC2)CCOCC1)c1ccccc1 ZINC000513216554 1004865388 /nfs/dbraw/zinc/86/53/88/1004865388.db2.gz FBJLLQRWVKMLOK-GOSISDBHSA-N 2 2 400.592 3.602 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000513356420 1004924751 /nfs/dbraw/zinc/92/47/51/1004924751.db2.gz FGLZPTOQJVWKBR-VWLOTQADSA-N 2 2 421.585 3.589 20 0 HHADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000513356420 1004924756 /nfs/dbraw/zinc/92/47/56/1004924756.db2.gz FGLZPTOQJVWKBR-VWLOTQADSA-N 2 2 421.585 3.589 20 0 HHADLP Fc1ccccc1OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922559 1004934319 /nfs/dbraw/zinc/93/43/19/1004934319.db2.gz VXOUVWZHYKQKFW-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP Fc1ccccc1OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922559 1004934325 /nfs/dbraw/zinc/93/43/25/1004934325.db2.gz VXOUVWZHYKQKFW-UHFFFAOYSA-N 2 2 408.271 3.959 20 0 HHADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000510943480 1004946930 /nfs/dbraw/zinc/94/69/30/1004946930.db2.gz GDBRRKXSHARWAI-NRFANRHFSA-N 2 2 419.497 3.643 20 0 HHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000513678685 1005078896 /nfs/dbraw/zinc/07/88/96/1005078896.db2.gz QYJYZHVKOVLAFO-LJQANCHMSA-N 2 2 410.389 3.871 20 0 HHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000513678685 1005078899 /nfs/dbraw/zinc/07/88/99/1005078899.db2.gz QYJYZHVKOVLAFO-LJQANCHMSA-N 2 2 410.389 3.871 20 0 HHADLP Cc1ccc(OCc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000513815799 1005141276 /nfs/dbraw/zinc/14/12/76/1005141276.db2.gz BECPODXHPPHHRQ-UHFFFAOYSA-N 2 2 415.603 3.965 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000511454902 1005183713 /nfs/dbraw/zinc/18/37/13/1005183713.db2.gz DXPUBTNSPNFEFN-QHCPKHFHSA-N 2 2 417.557 3.972 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000511454902 1005183716 /nfs/dbraw/zinc/18/37/16/1005183716.db2.gz DXPUBTNSPNFEFN-QHCPKHFHSA-N 2 2 417.557 3.972 20 0 HHADLP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000511521934 1005209633 /nfs/dbraw/zinc/20/96/33/1005209633.db2.gz QXVQTYUUABSPAO-QPJJXVBHSA-N 2 2 421.610 3.707 20 0 HHADLP CCC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514026774 1005233592 /nfs/dbraw/zinc/23/35/92/1005233592.db2.gz KTBDNHALQOYZFU-UHFFFAOYSA-N 2 2 409.578 3.991 20 0 HHADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000502877940 1005255340 /nfs/dbraw/zinc/25/53/40/1005255340.db2.gz SNKWLFZDVHOGGF-NJDAHSKKSA-N 2 2 416.610 3.929 20 0 HHADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000502877940 1005255345 /nfs/dbraw/zinc/25/53/45/1005255345.db2.gz SNKWLFZDVHOGGF-NJDAHSKKSA-N 2 2 416.610 3.929 20 0 HHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000503060461 1005331858 /nfs/dbraw/zinc/33/18/58/1005331858.db2.gz ADHABQANMPFVFL-UHFFFAOYSA-N 2 2 405.474 3.554 20 0 HHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000503060461 1005331861 /nfs/dbraw/zinc/33/18/61/1005331861.db2.gz ADHABQANMPFVFL-UHFFFAOYSA-N 2 2 405.474 3.554 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076837 1005340366 /nfs/dbraw/zinc/34/03/66/1005340366.db2.gz ZLSFOZZLJABOIG-JPYJTQIMSA-N 2 2 406.530 3.586 20 0 HHADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000503076837 1005340372 /nfs/dbraw/zinc/34/03/72/1005340372.db2.gz ZLSFOZZLJABOIG-JPYJTQIMSA-N 2 2 406.530 3.586 20 0 HHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000503098057 1005346866 /nfs/dbraw/zinc/34/68/66/1005346866.db2.gz XZAUNJCFXUVBBY-MJGOQNOKSA-N 2 2 410.518 3.836 20 0 HHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000503098057 1005346869 /nfs/dbraw/zinc/34/68/69/1005346869.db2.gz XZAUNJCFXUVBBY-MJGOQNOKSA-N 2 2 410.518 3.836 20 0 HHADLP O[C@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375693 1005401655 /nfs/dbraw/zinc/40/16/55/1005401655.db2.gz LWXASZFSHKHBSK-IRLDBZIGSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375693 1005401656 /nfs/dbraw/zinc/40/16/56/1005401656.db2.gz LWXASZFSHKHBSK-IRLDBZIGSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375695 1005401697 /nfs/dbraw/zinc/40/16/97/1005401697.db2.gz LWXASZFSHKHBSK-UNMCSNQZSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375695 1005401698 /nfs/dbraw/zinc/40/16/98/1005401698.db2.gz LWXASZFSHKHBSK-UNMCSNQZSA-N 2 2 405.542 3.992 20 0 HHADLP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428670 1005417516 /nfs/dbraw/zinc/41/75/16/1005417516.db2.gz HNKNWBGPPSSOJT-JCTONOIOSA-N 2 2 409.574 3.854 20 0 HHADLP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503428670 1005417518 /nfs/dbraw/zinc/41/75/18/1005417518.db2.gz HNKNWBGPPSSOJT-JCTONOIOSA-N 2 2 409.574 3.854 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437008 1005420115 /nfs/dbraw/zinc/42/01/15/1005420115.db2.gz LQWWXRJMCZVEBQ-OTWHNJEPSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437008 1005420117 /nfs/dbraw/zinc/42/01/17/1005420117.db2.gz LQWWXRJMCZVEBQ-OTWHNJEPSA-N 2 2 410.562 3.673 20 0 HHADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503738261 1005487837 /nfs/dbraw/zinc/48/78/37/1005487837.db2.gz QWQGTDDZDQIODB-FQEVSTJZSA-N 2 2 424.589 3.652 20 0 HHADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000503964094 1005521065 /nfs/dbraw/zinc/52/10/65/1005521065.db2.gz QKXWZOJMVRWKJC-LJQANCHMSA-N 2 2 422.411 3.965 20 0 HHADLP C[NH+](C)CCOc1ccccc1-c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000514631288 1006060434 /nfs/dbraw/zinc/06/04/34/1006060434.db2.gz JOBDNDYGPZFUCY-OAQYLSRUSA-N 2 2 424.570 3.815 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139907 1006120217 /nfs/dbraw/zinc/12/02/17/1006120217.db2.gz PZAKLJLOZSUFKV-NHCUHLMSSA-N 2 2 400.954 3.758 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139907 1006120225 /nfs/dbraw/zinc/12/02/25/1006120225.db2.gz PZAKLJLOZSUFKV-NHCUHLMSSA-N 2 2 400.954 3.758 20 0 HHADLP CC(C)c1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534144286 1006124133 /nfs/dbraw/zinc/12/41/33/1006124133.db2.gz CFGBLRCJHHVJIA-UHFFFAOYSA-N 2 2 403.615 3.644 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213600 1006208370 /nfs/dbraw/zinc/20/83/70/1006208370.db2.gz PTWMSZWEXYTQRS-QZTJIDSGSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213600 1006208379 /nfs/dbraw/zinc/20/83/79/1006208379.db2.gz PTWMSZWEXYTQRS-QZTJIDSGSA-N 2 2 412.500 3.905 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358495 1006321030 /nfs/dbraw/zinc/32/10/30/1006321030.db2.gz FKCGCWBEWJHOFX-GOTSBHOMSA-N 2 2 401.595 3.885 20 0 HHADLP CCCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534358495 1006321034 /nfs/dbraw/zinc/32/10/34/1006321034.db2.gz FKCGCWBEWJHOFX-GOTSBHOMSA-N 2 2 401.595 3.885 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360704 1006324476 /nfs/dbraw/zinc/32/44/76/1006324476.db2.gz PMFSREHYBMRPDH-DNQXCXABSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)CCCOCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360704 1006324480 /nfs/dbraw/zinc/32/44/80/1006324480.db2.gz PMFSREHYBMRPDH-DNQXCXABSA-N 2 2 415.622 3.779 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361122 1006326037 /nfs/dbraw/zinc/32/60/37/1006326037.db2.gz SMGBIARLHSAPJR-UXHICEINSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)Cc1csc(C(C)(C)C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361122 1006326051 /nfs/dbraw/zinc/32/60/51/1006326051.db2.gz SMGBIARLHSAPJR-UXHICEINSA-N 2 2 420.667 3.779 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360817 1006326258 /nfs/dbraw/zinc/32/62/58/1006326258.db2.gz QMHWMWVXILMBDE-NHCUHLMSSA-N 2 2 423.548 3.626 20 0 HHADLP CN(C(=O)Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360817 1006326264 /nfs/dbraw/zinc/32/62/64/1006326264.db2.gz QMHWMWVXILMBDE-NHCUHLMSSA-N 2 2 423.548 3.626 20 0 HHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)cc1 ZINC000531717430 1006375650 /nfs/dbraw/zinc/37/56/50/1006375650.db2.gz AWWGZORWJTXZPB-UHFFFAOYSA-N 2 2 413.537 3.575 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531874052 1006493504 /nfs/dbraw/zinc/49/35/04/1006493504.db2.gz JWPCOMMJRYIUPL-GZOXUSKESA-N 2 2 402.542 3.818 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531874052 1006493508 /nfs/dbraw/zinc/49/35/08/1006493508.db2.gz JWPCOMMJRYIUPL-GZOXUSKESA-N 2 2 402.542 3.818 20 0 HHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000534495926 1006493789 /nfs/dbraw/zinc/49/37/89/1006493789.db2.gz ZEHGDHJFCXPYFR-HNNXBMFYSA-N 2 2 423.424 3.894 20 0 HHADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000515534669 1006519811 /nfs/dbraw/zinc/51/98/11/1006519811.db2.gz BVIHQIWETWGUDV-UHFFFAOYSA-N 2 2 405.502 3.713 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983108 1006559509 /nfs/dbraw/zinc/55/95/09/1006559509.db2.gz QNJGQHVHGRMHDN-JTHBVZDNSA-N 2 2 402.542 3.698 20 0 HHADLP Cc1cccn2cc(CC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)[nH+]c12 ZINC000531983108 1006559522 /nfs/dbraw/zinc/55/95/22/1006559522.db2.gz QNJGQHVHGRMHDN-JTHBVZDNSA-N 2 2 402.542 3.698 20 0 HHADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989365 1006564365 /nfs/dbraw/zinc/56/43/65/1006564365.db2.gz QRGJJFNYIBVSIQ-CQSZACIVSA-N 2 2 410.896 3.939 20 0 HHADLP CN(c1ccccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000532106859 1006641037 /nfs/dbraw/zinc/64/10/37/1006641037.db2.gz UMRPHSRTRLOMLB-UHFFFAOYSA-N 3 2 403.574 3.752 20 0 HHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000515767366 1006657869 /nfs/dbraw/zinc/65/78/69/1006657869.db2.gz BXZZCVWEZXOFLI-TZIWHRDSSA-N 2 2 416.013 3.902 20 0 HHADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000515767363 1006658237 /nfs/dbraw/zinc/65/82/37/1006658237.db2.gz BXZZCVWEZXOFLI-CTNGQTDRSA-N 2 2 416.013 3.902 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000532222742 1006732436 /nfs/dbraw/zinc/73/24/36/1006732436.db2.gz NVUISOXBNLGGHH-ICSRJNTNSA-N 2 2 411.546 3.675 20 0 HHADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000532222742 1006732445 /nfs/dbraw/zinc/73/24/45/1006732445.db2.gz NVUISOXBNLGGHH-ICSRJNTNSA-N 2 2 411.546 3.675 20 0 HHADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467574 1006736930 /nfs/dbraw/zinc/73/69/30/1006736930.db2.gz IVXYIJWVLHMYJS-QUCCMNQESA-N 2 2 409.496 3.614 20 0 HHADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538467574 1006736938 /nfs/dbraw/zinc/73/69/38/1006736938.db2.gz IVXYIJWVLHMYJS-QUCCMNQESA-N 2 2 409.496 3.614 20 0 HHADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534790666 1006792670 /nfs/dbraw/zinc/79/26/70/1006792670.db2.gz LUYKLIZDUGKMLW-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534790666 1006792682 /nfs/dbraw/zinc/79/26/82/1006792682.db2.gz LUYKLIZDUGKMLW-FGZHOGPDSA-N 2 2 423.948 3.829 20 0 HHADLP CC(C)NC(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538558213 1006820445 /nfs/dbraw/zinc/82/04/45/1006820445.db2.gz SGURNCMMYRVRGK-DYESRHJHSA-N 2 2 410.566 3.925 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828373 1006839285 /nfs/dbraw/zinc/83/92/85/1006839285.db2.gz ZOIYAVDVEXSHDO-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ccc1F ZINC000534828373 1006839299 /nfs/dbraw/zinc/83/92/99/1006839299.db2.gz ZOIYAVDVEXSHDO-NHCUHLMSSA-N 2 2 418.944 3.785 20 0 HHADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000532449879 1006892076 /nfs/dbraw/zinc/89/20/76/1006892076.db2.gz VEIXTZNQGANSMN-UHFFFAOYSA-N 2 2 408.933 3.979 20 0 HHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1Cl ZINC000532468371 1006907667 /nfs/dbraw/zinc/90/76/67/1006907667.db2.gz XREJUVZLFZHDIC-KRWDZBQOSA-N 2 2 404.938 3.910 20 0 HHADLP CC(C)COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000532494872 1006937174 /nfs/dbraw/zinc/93/71/74/1006937174.db2.gz UMFRMADXPXHRGU-FQEVSTJZSA-N 2 2 410.562 3.506 20 0 HHADLP Cc1c(Cl)cc(F)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1F ZINC000534911258 1006943834 /nfs/dbraw/zinc/94/38/34/1006943834.db2.gz WWRNLFJSKAGCJJ-UHFFFAOYSA-N 2 2 414.928 3.998 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534942997 1006984326 /nfs/dbraw/zinc/98/43/26/1006984326.db2.gz DKCLRBFZPKVUJJ-MOPGFXCFSA-N 2 2 412.500 3.905 20 0 HHADLP CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534942997 1006984338 /nfs/dbraw/zinc/98/43/38/1006984338.db2.gz DKCLRBFZPKVUJJ-MOPGFXCFSA-N 2 2 412.500 3.905 20 0 HHADLP CN(c1ccccc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000538740364 1007023933 /nfs/dbraw/zinc/02/39/33/1007023933.db2.gz IKZZMCHFEUPKPU-UHFFFAOYSA-N 2 2 416.516 3.566 20 0 HHADLP CN(c1ccccc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000538740364 1007023947 /nfs/dbraw/zinc/02/39/47/1007023947.db2.gz IKZZMCHFEUPKPU-UHFFFAOYSA-N 2 2 416.516 3.566 20 0 HHADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1F ZINC000534980488 1007039277 /nfs/dbraw/zinc/03/92/77/1007039277.db2.gz SLGAMIOTOSLXRE-UHFFFAOYSA-N 2 2 413.472 3.520 20 0 HHADLP Cc1cc(C)cc(C2=CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000538774973 1007056869 /nfs/dbraw/zinc/05/68/69/1007056869.db2.gz BTPRLSBMUFSOHP-UHFFFAOYSA-N 2 2 410.606 3.661 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000535045209 1007079646 /nfs/dbraw/zinc/07/96/46/1007079646.db2.gz GCFLARHZGANCFZ-JOCHJYFZSA-N 2 2 402.542 3.548 20 0 HHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000535045209 1007079661 /nfs/dbraw/zinc/07/96/61/1007079661.db2.gz GCFLARHZGANCFZ-JOCHJYFZSA-N 2 2 402.542 3.548 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093664 1007107949 /nfs/dbraw/zinc/10/79/49/1007107949.db2.gz DCNBFHOTIMCMAG-RPWUZVMVSA-N 2 2 408.590 3.887 20 0 HHADLP CN(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093664 1007107957 /nfs/dbraw/zinc/10/79/57/1007107957.db2.gz DCNBFHOTIMCMAG-RPWUZVMVSA-N 2 2 408.590 3.887 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093977 1007109013 /nfs/dbraw/zinc/10/90/13/1007109013.db2.gz FVXLGXRMYPZGLF-GOTSBHOMSA-N 2 2 408.590 3.952 20 0 HHADLP Cc1ccc2cccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000535093977 1007109023 /nfs/dbraw/zinc/10/90/23/1007109023.db2.gz FVXLGXRMYPZGLF-GOTSBHOMSA-N 2 2 408.590 3.952 20 0 HHADLP CCC(CC)n1nccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094568 1007109387 /nfs/dbraw/zinc/10/93/87/1007109387.db2.gz IXGSABNFKVNMFA-LEWJYISDSA-N 2 2 403.615 3.653 20 0 HHADLP CCC(CC)n1nccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094568 1007109393 /nfs/dbraw/zinc/10/93/93/1007109393.db2.gz IXGSABNFKVNMFA-LEWJYISDSA-N 2 2 403.615 3.653 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095028 1007110372 /nfs/dbraw/zinc/11/03/72/1007110372.db2.gz NANLXLUHLXUEQP-MHADKKCISA-N 2 2 419.560 3.864 20 0 HHADLP CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095028 1007110381 /nfs/dbraw/zinc/11/03/81/1007110381.db2.gz NANLXLUHLXUEQP-MHADKKCISA-N 2 2 419.560 3.864 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095625 1007111896 /nfs/dbraw/zinc/11/18/96/1007111896.db2.gz ORGGDCIMCWSDGG-DNVJHFABSA-N 2 2 405.627 3.688 20 0 HHADLP CCO[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1=CCCC1 ZINC000535095625 1007111898 /nfs/dbraw/zinc/11/18/98/1007111898.db2.gz ORGGDCIMCWSDGG-DNVJHFABSA-N 2 2 405.627 3.688 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096262 1007114200 /nfs/dbraw/zinc/11/42/00/1007114200.db2.gz NEAOKKAQRLXDLL-RPBOFIJWSA-N 2 2 424.633 3.907 20 0 HHADLP CN(C(=O)CCc1cn(C)c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096262 1007114207 /nfs/dbraw/zinc/11/42/07/1007114207.db2.gz NEAOKKAQRLXDLL-RPBOFIJWSA-N 2 2 424.633 3.907 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100674 1007120595 /nfs/dbraw/zinc/12/05/95/1007120595.db2.gz QEGQHFCYYXXNGL-ZJZGAYNASA-N 2 2 413.606 3.594 20 0 HHADLP COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535100674 1007120601 /nfs/dbraw/zinc/12/06/01/1007120601.db2.gz QEGQHFCYYXXNGL-ZJZGAYNASA-N 2 2 413.606 3.594 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122530 1007156227 /nfs/dbraw/zinc/15/62/27/1007156227.db2.gz SYHKHVIQHGECFD-PWIZWCRZSA-N 2 2 421.655 3.745 20 0 HHADLP CCc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000535122530 1007156233 /nfs/dbraw/zinc/15/62/33/1007156233.db2.gz SYHKHVIQHGECFD-PWIZWCRZSA-N 2 2 421.655 3.745 20 0 HHADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1Cl ZINC000532878383 1007262445 /nfs/dbraw/zinc/26/24/45/1007262445.db2.gz GRKQWBJMKHNMND-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1Cl ZINC000532878383 1007262455 /nfs/dbraw/zinc/26/24/55/1007262455.db2.gz GRKQWBJMKHNMND-UHFFFAOYSA-N 2 2 407.345 3.559 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882527 1007328164 /nfs/dbraw/zinc/32/81/64/1007328164.db2.gz HWDDBKFYNHQBOH-ZCNNSNEGSA-N 2 2 411.512 3.874 20 0 HHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000516882527 1007328179 /nfs/dbraw/zinc/32/81/79/1007328179.db2.gz HWDDBKFYNHQBOH-ZCNNSNEGSA-N 2 2 411.512 3.874 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000539049406 1007345854 /nfs/dbraw/zinc/34/58/54/1007345854.db2.gz HVWZQLAAVPMACZ-XMSQKQJNSA-N 2 2 412.559 3.964 20 0 HHADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000539076595 1007367926 /nfs/dbraw/zinc/36/79/26/1007367926.db2.gz AHNLXCRCDOKIEZ-PKTZIBPZSA-N 2 2 423.605 3.529 20 0 HHADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000533038188 1007398537 /nfs/dbraw/zinc/39/85/37/1007398537.db2.gz XAROVNQFJVOUFF-QFIPXVFZSA-N 3 2 421.633 3.929 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085045 1007445973 /nfs/dbraw/zinc/44/59/73/1007445973.db2.gz YADBTEKDVAGOPK-UPVQGACJSA-N 2 2 417.557 3.665 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)c1 ZINC000533085045 1007445977 /nfs/dbraw/zinc/44/59/77/1007445977.db2.gz YADBTEKDVAGOPK-UPVQGACJSA-N 2 2 417.557 3.665 20 0 HHADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000539150136 1007446274 /nfs/dbraw/zinc/44/62/74/1007446274.db2.gz WUXVXTCWTAAAKM-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000539150136 1007446296 /nfs/dbraw/zinc/44/62/96/1007446296.db2.gz WUXVXTCWTAAAKM-CALCHBBNSA-N 2 2 411.384 3.539 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533170020 1007509799 /nfs/dbraw/zinc/50/97/99/1007509799.db2.gz PRZBMKZTLMFJTP-RBUKOAKNSA-N 2 2 410.965 3.786 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533170020 1007509808 /nfs/dbraw/zinc/50/98/08/1007509808.db2.gz PRZBMKZTLMFJTP-RBUKOAKNSA-N 2 2 410.965 3.786 20 0 HHADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172692 1007514288 /nfs/dbraw/zinc/51/42/88/1007514288.db2.gz YZYASGWUTMFZPW-SFTDATJTSA-N 2 2 422.976 3.931 20 0 HHADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533172692 1007514294 /nfs/dbraw/zinc/51/42/94/1007514294.db2.gz YZYASGWUTMFZPW-SFTDATJTSA-N 2 2 422.976 3.931 20 0 HHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000539310335 1007609200 /nfs/dbraw/zinc/60/92/00/1007609200.db2.gz RTRASCQXNBOYAQ-SFHVURJKSA-N 2 2 422.552 3.614 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535655282 1007668503 /nfs/dbraw/zinc/66/85/03/1007668503.db2.gz NOKQAJASRZXCND-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP CN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535655282 1007668520 /nfs/dbraw/zinc/66/85/20/1007668520.db2.gz NOKQAJASRZXCND-DHIUTWEWSA-N 2 2 424.593 3.673 20 0 HHADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000539372992 1007676826 /nfs/dbraw/zinc/67/68/26/1007676826.db2.gz CQSVNAFWDMJDBS-LJQANCHMSA-N 2 2 410.537 3.651 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413290 1007721195 /nfs/dbraw/zinc/72/11/95/1007721195.db2.gz KPDAFZZDKILAFA-OAQYLSRUSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413290 1007721204 /nfs/dbraw/zinc/72/12/04/1007721204.db2.gz KPDAFZZDKILAFA-OAQYLSRUSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413290 1007721221 /nfs/dbraw/zinc/72/12/21/1007721221.db2.gz KPDAFZZDKILAFA-OAQYLSRUSA-N 2 2 409.574 3.731 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000539413290 1007721238 /nfs/dbraw/zinc/72/12/38/1007721238.db2.gz KPDAFZZDKILAFA-OAQYLSRUSA-N 2 2 409.574 3.731 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417119 1007724198 /nfs/dbraw/zinc/72/41/98/1007724198.db2.gz SDLHKQIQNYVPAR-PXDATVDWSA-N 2 2 416.569 3.804 20 0 HHADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)CC1 ZINC000533417119 1007724208 /nfs/dbraw/zinc/72/42/08/1007724208.db2.gz SDLHKQIQNYVPAR-PXDATVDWSA-N 2 2 416.569 3.804 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458944 1007769671 /nfs/dbraw/zinc/76/96/71/1007769671.db2.gz RNDQOZVTLAUSAE-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP COc1cc(F)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000539458944 1007769675 /nfs/dbraw/zinc/76/96/75/1007769675.db2.gz RNDQOZVTLAUSAE-PMACEKPBSA-N 2 2 424.536 3.774 20 0 HHADLP C[N@H+]1CC=C(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000539476521 1007787745 /nfs/dbraw/zinc/78/77/45/1007787745.db2.gz XRWHMKCQEDCETK-UHFFFAOYSA-N 2 2 415.541 3.660 20 0 HHADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000539476521 1007787749 /nfs/dbraw/zinc/78/77/49/1007787749.db2.gz XRWHMKCQEDCETK-UHFFFAOYSA-N 2 2 415.541 3.660 20 0 HHADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000539491533 1007802289 /nfs/dbraw/zinc/80/22/89/1007802289.db2.gz QKZDBWHJRREYBM-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3F)CC2)cc1 ZINC000539491533 1007802299 /nfs/dbraw/zinc/80/22/99/1007802299.db2.gz QKZDBWHJRREYBM-SFHVURJKSA-N 2 2 401.501 3.658 20 0 HHADLP CC[N@H+](Cc1cn(-c2ccccc2)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532223 1007853051 /nfs/dbraw/zinc/85/30/51/1007853051.db2.gz RVDIXBRPRJQTNO-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP CC[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532223 1007853074 /nfs/dbraw/zinc/85/30/74/1007853074.db2.gz RVDIXBRPRJQTNO-UHFFFAOYSA-N 2 2 419.577 3.980 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535865681 1007881258 /nfs/dbraw/zinc/88/12/58/1007881258.db2.gz KRPXQDHFOBJFRI-PNJWGLBASA-N 2 2 422.658 3.560 20 0 HHADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535865681 1007881264 /nfs/dbraw/zinc/88/12/64/1007881264.db2.gz KRPXQDHFOBJFRI-PNJWGLBASA-N 2 2 422.658 3.560 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535874905 1007892200 /nfs/dbraw/zinc/89/22/00/1007892200.db2.gz FKMPJCKTFQKULJ-UIFIKXQLSA-N 2 2 406.640 3.658 20 0 HHADLP C[C@H](Cc1ccsc1)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535874905 1007892205 /nfs/dbraw/zinc/89/22/05/1007892205.db2.gz FKMPJCKTFQKULJ-UIFIKXQLSA-N 2 2 406.640 3.658 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646541 1007954015 /nfs/dbraw/zinc/95/40/15/1007954015.db2.gz BQNQMTHBFAXRMQ-PKTZIBPZSA-N 2 2 424.589 3.680 20 0 HHADLP CN(C(=O)Cc1coc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646541 1007954168 /nfs/dbraw/zinc/95/41/68/1007954168.db2.gz BQNQMTHBFAXRMQ-PKTZIBPZSA-N 2 2 424.589 3.680 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649910 1007961410 /nfs/dbraw/zinc/96/14/10/1007961410.db2.gz YIMLYECEEZGOAA-YADHBBJMSA-N 2 2 419.635 3.583 20 0 HHADLP COc1ccc(SCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533649910 1007961421 /nfs/dbraw/zinc/96/14/21/1007961421.db2.gz YIMLYECEEZGOAA-YADHBBJMSA-N 2 2 419.635 3.583 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673320 1007993128 /nfs/dbraw/zinc/99/31/28/1007993128.db2.gz NGJNBTYFKHMKNF-YSZBQJHXSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000533673320 1007993135 /nfs/dbraw/zinc/99/31/35/1007993135.db2.gz NGJNBTYFKHMKNF-YSZBQJHXSA-N 2 2 418.601 3.908 20 0 HHADLP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785983 1008108640 /nfs/dbraw/zinc/10/86/40/1008108640.db2.gz AWHBKTUUQKZDGJ-NVXWUHKLSA-N 2 2 423.424 3.935 20 0 HHADLP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ncc(Br)s1 ZINC000533785983 1008108643 /nfs/dbraw/zinc/10/86/43/1008108643.db2.gz AWHBKTUUQKZDGJ-NVXWUHKLSA-N 2 2 423.424 3.935 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824420 1008135602 /nfs/dbraw/zinc/13/56/02/1008135602.db2.gz HOBYEISFSAPVRK-DHIUTWEWSA-N 2 2 403.530 3.727 20 0 HHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C)c1 ZINC000533824420 1008135609 /nfs/dbraw/zinc/13/56/09/1008135609.db2.gz HOBYEISFSAPVRK-DHIUTWEWSA-N 2 2 403.530 3.727 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533839839 1008147861 /nfs/dbraw/zinc/14/78/61/1008147861.db2.gz ZNKUQEJEYRVNFH-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000533839839 1008147867 /nfs/dbraw/zinc/14/78/67/1008147867.db2.gz ZNKUQEJEYRVNFH-UHFFFAOYSA-N 3 2 421.029 3.715 20 0 HHADLP CCCCOc1ncccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539950741 1008201850 /nfs/dbraw/zinc/20/18/50/1008201850.db2.gz NTEYJFVISUGHKI-UHFFFAOYSA-N 2 2 402.970 3.956 20 0 HHADLP COc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000518288657 1008240974 /nfs/dbraw/zinc/24/09/74/1008240974.db2.gz PIVXPRUWNSQUKH-NSHDSACASA-N 2 2 417.145 3.843 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153748 1008313647 /nfs/dbraw/zinc/31/36/47/1008313647.db2.gz PFRNTFBJNJNIPY-CJFMBICVSA-N 2 2 409.574 3.777 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000540153748 1008313651 /nfs/dbraw/zinc/31/36/51/1008313651.db2.gz PFRNTFBJNJNIPY-CJFMBICVSA-N 2 2 409.574 3.777 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000540176682 1008323754 /nfs/dbraw/zinc/32/37/54/1008323754.db2.gz VQBHCTZUMOWUDO-XMSQKQJNSA-N 2 2 405.546 3.737 20 0 HHADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)n1 ZINC000540176682 1008323761 /nfs/dbraw/zinc/32/37/61/1008323761.db2.gz VQBHCTZUMOWUDO-XMSQKQJNSA-N 2 2 405.546 3.737 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192572 1008329712 /nfs/dbraw/zinc/32/97/12/1008329712.db2.gz NGLYHSBXXBZYNO-HYBUGGRVSA-N 2 2 406.574 3.708 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000540192572 1008329717 /nfs/dbraw/zinc/32/97/17/1008329717.db2.gz NGLYHSBXXBZYNO-HYBUGGRVSA-N 2 2 406.574 3.708 20 0 HHADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000540327833 1008381607 /nfs/dbraw/zinc/38/16/07/1008381607.db2.gz REFYBHJGMCEHNK-GOSISDBHSA-N 2 2 401.576 3.530 20 0 HHADLP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000540426581 1008428719 /nfs/dbraw/zinc/42/87/19/1008428719.db2.gz XVUYMQWIMDQCCK-JOCHJYFZSA-N 2 2 416.516 3.776 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000540475159 1008446265 /nfs/dbraw/zinc/44/62/65/1008446265.db2.gz FYFTZDZUJBJTRQ-RYRKJORJSA-N 2 2 403.929 3.909 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000540475159 1008446269 /nfs/dbraw/zinc/44/62/69/1008446269.db2.gz FYFTZDZUJBJTRQ-RYRKJORJSA-N 2 2 403.929 3.909 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540527615 1008468609 /nfs/dbraw/zinc/46/86/09/1008468609.db2.gz SOIIPFLMQISIHI-FGZHOGPDSA-N 2 2 400.567 3.518 20 0 HHADLP CN(C(=O)Nc1ccc2c(c1)COC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540527615 1008468611 /nfs/dbraw/zinc/46/86/11/1008468611.db2.gz SOIIPFLMQISIHI-FGZHOGPDSA-N 2 2 400.567 3.518 20 0 HHADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3cc4ccccc4o3)CC2)cc1 ZINC000540552411 1008478445 /nfs/dbraw/zinc/47/84/45/1008478445.db2.gz ABBUXOMLSVORFF-UHFFFAOYSA-N 2 2 421.541 3.608 20 0 HHADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3cc4ccccc4o3)CC2)cc1 ZINC000540552411 1008478448 /nfs/dbraw/zinc/47/84/48/1008478448.db2.gz ABBUXOMLSVORFF-UHFFFAOYSA-N 2 2 421.541 3.608 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3cc4ccccc4o3)CC2)cc1 ZINC000540552411 1008478450 /nfs/dbraw/zinc/47/84/50/1008478450.db2.gz ABBUXOMLSVORFF-UHFFFAOYSA-N 2 2 421.541 3.608 20 0 HHADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3cc4ccccc4o3)CC2)cc1 ZINC000540552411 1008478453 /nfs/dbraw/zinc/47/84/53/1008478453.db2.gz ABBUXOMLSVORFF-UHFFFAOYSA-N 2 2 421.541 3.608 20 0 HHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441334 1008553494 /nfs/dbraw/zinc/55/34/94/1008553494.db2.gz YBWVKBYAAVPDIU-ILBGXUMGSA-N 2 2 414.553 3.788 20 0 HHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[NH+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441334 1008553509 /nfs/dbraw/zinc/55/35/09/1008553509.db2.gz YBWVKBYAAVPDIU-ILBGXUMGSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441334 1008553516 /nfs/dbraw/zinc/55/35/16/1008553516.db2.gz YBWVKBYAAVPDIU-ILBGXUMGSA-N 2 2 414.553 3.788 20 0 HHADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2C1 ZINC000545441334 1008553528 /nfs/dbraw/zinc/55/35/28/1008553528.db2.gz YBWVKBYAAVPDIU-ILBGXUMGSA-N 2 2 414.553 3.788 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545461226 1008571436 /nfs/dbraw/zinc/57/14/36/1008571436.db2.gz SWBJITGLOVTOKT-LJQANCHMSA-N 2 2 422.411 3.826 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545461226 1008571446 /nfs/dbraw/zinc/57/14/46/1008571446.db2.gz SWBJITGLOVTOKT-LJQANCHMSA-N 2 2 422.411 3.826 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199331 1008603328 /nfs/dbraw/zinc/60/33/28/1008603328.db2.gz YAVZJJXPFYOHNJ-VQTJNVASSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@H](c1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000519199331 1008603336 /nfs/dbraw/zinc/60/33/36/1008603336.db2.gz YAVZJJXPFYOHNJ-VQTJNVASSA-N 2 2 402.583 3.713 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000543043304 1008624813 /nfs/dbraw/zinc/62/48/13/1008624813.db2.gz QSQKBQPPMHIQHI-OFNKIYASSA-N 2 2 409.578 3.748 20 0 HHADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000543043304 1008624826 /nfs/dbraw/zinc/62/48/26/1008624826.db2.gz QSQKBQPPMHIQHI-OFNKIYASSA-N 2 2 409.578 3.748 20 0 HHADLP Cc1ccc(Cc2ccccn2)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000549063709 1008629318 /nfs/dbraw/zinc/62/93/18/1008629318.db2.gz KGJGWILRTKPTRE-UHFFFAOYSA-N 2 2 421.589 3.661 20 0 HHADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000519225869 1008631755 /nfs/dbraw/zinc/63/17/55/1008631755.db2.gz NHNNHTICELWYBN-FQEVSTJZSA-N 2 2 416.363 3.751 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165469 1008738073 /nfs/dbraw/zinc/73/80/73/1008738073.db2.gz JNGUKFVZICEUNC-NZQKXSOJSA-N 2 2 407.558 3.691 20 0 HHADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1=O ZINC000549165469 1008738087 /nfs/dbraw/zinc/73/80/87/1008738087.db2.gz JNGUKFVZICEUNC-NZQKXSOJSA-N 2 2 407.558 3.691 20 0 HHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000549167354 1008740141 /nfs/dbraw/zinc/74/01/41/1008740141.db2.gz UIGDQKGREYNYQD-FQEVSTJZSA-N 2 2 412.603 3.851 20 0 HHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000549167354 1008740153 /nfs/dbraw/zinc/74/01/53/1008740153.db2.gz UIGDQKGREYNYQD-FQEVSTJZSA-N 2 2 412.603 3.851 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519361100 1008760978 /nfs/dbraw/zinc/76/09/78/1008760978.db2.gz JHYJCXMQYTVGKI-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519361100 1008760986 /nfs/dbraw/zinc/76/09/86/1008760986.db2.gz JHYJCXMQYTVGKI-QFIPXVFZSA-N 2 2 406.505 3.599 20 0 HHADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868632 1008957320 /nfs/dbraw/zinc/95/73/20/1008957320.db2.gz VWGVRNVZTWPGQQ-PMACEKPBSA-N 2 2 407.327 3.528 20 0 HHADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000545868632 1008957332 /nfs/dbraw/zinc/95/73/32/1008957332.db2.gz VWGVRNVZTWPGQQ-PMACEKPBSA-N 2 2 407.327 3.528 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000545916641 1008994222 /nfs/dbraw/zinc/99/42/22/1008994222.db2.gz JCZLDVOTQNPJBM-CQSZACIVSA-N 2 2 415.347 3.526 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccc(OC)cc3)cs2)CC1 ZINC000545916730 1008994735 /nfs/dbraw/zinc/99/47/35/1008994735.db2.gz WOPFBDXFSBNVQO-UHFFFAOYSA-N 2 2 402.560 3.931 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545969990 1009025367 /nfs/dbraw/zinc/02/53/67/1009025367.db2.gz LNZUPMGGXXJVLO-ONFJWFQXSA-N 2 2 412.622 3.911 20 0 HHADLP CN(C(=O)NC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545969990 1009025381 /nfs/dbraw/zinc/02/53/81/1009025381.db2.gz LNZUPMGGXXJVLO-ONFJWFQXSA-N 2 2 412.622 3.911 20 0 HHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920827 1009077333 /nfs/dbraw/zinc/07/73/33/1009077333.db2.gz YCPPDSRSOKFPTE-WTIAFYNJSA-N 2 2 409.599 3.728 20 0 HHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000519920827 1009077345 /nfs/dbraw/zinc/07/73/45/1009077345.db2.gz YCPPDSRSOKFPTE-WTIAFYNJSA-N 2 2 409.599 3.728 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000543514569 1009104534 /nfs/dbraw/zinc/10/45/34/1009104534.db2.gz QZWQZWKUBDHKQL-SCTDSRPQSA-N 2 2 414.619 3.870 20 0 HHADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000543514569 1009104541 /nfs/dbraw/zinc/10/45/41/1009104541.db2.gz QZWQZWKUBDHKQL-SCTDSRPQSA-N 2 2 414.619 3.870 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000546083110 1009107448 /nfs/dbraw/zinc/10/74/48/1009107448.db2.gz LKRAECITYMCEDJ-OAQYLSRUSA-N 2 2 406.555 3.739 20 0 HHADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000546083110 1009107456 /nfs/dbraw/zinc/10/74/56/1009107456.db2.gz LKRAECITYMCEDJ-OAQYLSRUSA-N 2 2 406.555 3.739 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)c2)cc[nH+]1 ZINC000543539260 1009131564 /nfs/dbraw/zinc/13/15/64/1009131564.db2.gz WECMPQYJKLCGGN-UHFFFAOYSA-N 2 2 409.578 3.981 20 0 HHADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000543541130 1009133744 /nfs/dbraw/zinc/13/37/44/1009133744.db2.gz CWGICMVQHFFXNC-SFHVURJKSA-N 2 2 408.571 3.600 20 0 HHADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546125852 1009149891 /nfs/dbraw/zinc/14/98/91/1009149891.db2.gz YNYFFZHFSYNATN-QUCCMNQESA-N 2 2 404.917 3.894 20 0 HHADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546125852 1009149899 /nfs/dbraw/zinc/14/98/99/1009149899.db2.gz YNYFFZHFSYNATN-QUCCMNQESA-N 2 2 404.917 3.894 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)c2)cc[nH+]1 ZINC000543550430 1009153116 /nfs/dbraw/zinc/15/31/16/1009153116.db2.gz FSHQMCVOTILXJX-UHFFFAOYSA-N 2 2 421.520 3.740 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549558359 1009176619 /nfs/dbraw/zinc/17/66/19/1009176619.db2.gz CHOIJDKBSRPGAS-HJOGWXRNSA-N 2 2 412.622 3.961 20 0 HHADLP Cc1cccc2c1CC[C@@H]2NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549558359 1009176629 /nfs/dbraw/zinc/17/66/29/1009176629.db2.gz CHOIJDKBSRPGAS-HJOGWXRNSA-N 2 2 412.622 3.961 20 0 HHADLP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520188935 1009330609 /nfs/dbraw/zinc/33/06/09/1009330609.db2.gz QJTGOVIYOYTCNH-QHCPKHFHSA-N 2 2 409.599 3.689 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)Cc1ccccc1 ZINC000520200402 1009338258 /nfs/dbraw/zinc/33/82/58/1009338258.db2.gz RAIWKEFTRUMPRN-NRFANRHFSA-N 2 2 412.578 3.802 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772741 1009341344 /nfs/dbraw/zinc/34/13/44/1009341344.db2.gz CCUCHEGKHARWRK-SBUREZEXSA-N 2 2 423.536 3.522 20 0 HHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nnn1-c1ccc(F)cc1 ZINC000543772741 1009341354 /nfs/dbraw/zinc/34/13/54/1009341354.db2.gz CCUCHEGKHARWRK-SBUREZEXSA-N 2 2 423.536 3.522 20 0 HHADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543903145 1009486074 /nfs/dbraw/zinc/48/60/74/1009486074.db2.gz AJCFJRBEIPFILY-PBEJRMEISA-N 2 2 424.511 3.509 20 0 HHADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543903145 1009486080 /nfs/dbraw/zinc/48/60/80/1009486080.db2.gz AJCFJRBEIPFILY-PBEJRMEISA-N 2 2 424.511 3.509 20 0 HHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543971561 1009575450 /nfs/dbraw/zinc/57/54/50/1009575450.db2.gz PTMIJMVTLNUQSB-HXUWFJFHSA-N 2 2 403.615 3.986 20 0 HHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000543971561 1009575460 /nfs/dbraw/zinc/57/54/60/1009575460.db2.gz PTMIJMVTLNUQSB-HXUWFJFHSA-N 2 2 403.615 3.986 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035234 1009636861 /nfs/dbraw/zinc/63/68/61/1009636861.db2.gz CDSBZAYKFOCNLH-IRXDYDNUSA-N 2 2 415.475 3.652 20 0 HHADLP CN(C(=O)c1c(F)c(F)cc(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035234 1009636865 /nfs/dbraw/zinc/63/68/65/1009636865.db2.gz CDSBZAYKFOCNLH-IRXDYDNUSA-N 2 2 415.475 3.652 20 0 HHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000544052640 1009656274 /nfs/dbraw/zinc/65/62/74/1009656274.db2.gz DAWXNFKNWYYLJT-RUZDIDTESA-N 2 2 421.585 3.646 20 0 HHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000544052640 1009656278 /nfs/dbraw/zinc/65/62/78/1009656278.db2.gz DAWXNFKNWYYLJT-RUZDIDTESA-N 2 2 421.585 3.646 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000520621598 1009698933 /nfs/dbraw/zinc/69/89/33/1009698933.db2.gz MQAHFPPHEDGKPD-OAHLLOKOSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000520621598 1009698947 /nfs/dbraw/zinc/69/89/47/1009698947.db2.gz MQAHFPPHEDGKPD-OAHLLOKOSA-N 2 2 415.409 3.592 20 0 HHADLP C[C@@H](C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174599 1009778579 /nfs/dbraw/zinc/77/85/79/1009778579.db2.gz APHXXTLHRKVVIV-LPHOPBHVSA-N 2 2 421.010 3.785 20 0 HHADLP C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000544174599 1009778587 /nfs/dbraw/zinc/77/85/87/1009778587.db2.gz APHXXTLHRKVVIV-LPHOPBHVSA-N 2 2 421.010 3.785 20 0 HHADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000550221503 1009786906 /nfs/dbraw/zinc/78/69/06/1009786906.db2.gz SKUAZEXBWQQJAU-HXUWFJFHSA-N 2 2 409.559 3.629 20 0 HHADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238083 1009796246 /nfs/dbraw/zinc/79/62/46/1009796246.db2.gz QBBRONOMOBYZTI-AHWVRZQESA-N 2 2 403.570 3.578 20 0 HHADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238083 1009796261 /nfs/dbraw/zinc/79/62/61/1009796261.db2.gz QBBRONOMOBYZTI-AHWVRZQESA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238083 1009796276 /nfs/dbraw/zinc/79/62/76/1009796276.db2.gz QBBRONOMOBYZTI-AHWVRZQESA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238083 1009796292 /nfs/dbraw/zinc/79/62/92/1009796292.db2.gz QBBRONOMOBYZTI-AHWVRZQESA-N 2 2 403.570 3.578 20 0 HHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238085 1009796934 /nfs/dbraw/zinc/79/69/34/1009796934.db2.gz QBBRONOMOBYZTI-AZGAKELHSA-N 2 2 403.570 3.578 20 0 HHADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238085 1009796946 /nfs/dbraw/zinc/79/69/46/1009796946.db2.gz QBBRONOMOBYZTI-AZGAKELHSA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238085 1009796953 /nfs/dbraw/zinc/79/69/53/1009796953.db2.gz QBBRONOMOBYZTI-AZGAKELHSA-N 2 2 403.570 3.578 20 0 HHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)C2)C1 ZINC000550238085 1009796962 /nfs/dbraw/zinc/79/69/62/1009796962.db2.gz QBBRONOMOBYZTI-AZGAKELHSA-N 2 2 403.570 3.578 20 0 HHADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)cc1 ZINC000520827833 1009888040 /nfs/dbraw/zinc/88/80/40/1009888040.db2.gz GJXNYTUJDHBXTG-IBGZPJMESA-N 2 2 401.580 3.862 20 0 HHADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000520842616 1009896739 /nfs/dbraw/zinc/89/67/39/1009896739.db2.gz WNSOCDKEDPCDLN-UHFFFAOYSA-N 2 2 405.546 3.578 20 0 HHADLP Fc1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ccccn2)cc1 ZINC000544366199 1009994522 /nfs/dbraw/zinc/99/45/22/1009994522.db2.gz XISRCGRCGWQUPF-RUZDIDTESA-N 2 2 404.533 3.718 20 0 HHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000521039258 1010068674 /nfs/dbraw/zinc/06/86/74/1010068674.db2.gz ZGYLGLRWMWTWET-QHCPKHFHSA-N 2 2 408.546 3.661 20 0 HHADLP CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(C)noc1C ZINC000544454290 1010077718 /nfs/dbraw/zinc/07/77/18/1010077718.db2.gz GWWFQNWZJHECNK-LJQANCHMSA-N 2 2 402.564 3.520 20 0 HHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000521058789 1010079161 /nfs/dbraw/zinc/07/91/61/1010079161.db2.gz BIEXKDAHLBWJFL-FXAWDEMLSA-N 2 2 417.985 3.834 20 0 HHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)c(C)c1 ZINC000550698970 1010109404 /nfs/dbraw/zinc/10/94/04/1010109404.db2.gz CIRQJWOTLXJHGC-PKTZIBPZSA-N 2 2 424.570 3.556 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000544558789 1010188007 /nfs/dbraw/zinc/18/80/07/1010188007.db2.gz PBHNOOVBJUNPDH-QHCPKHFHSA-N 2 2 415.541 3.744 20 0 HHADLP Cc1nc(NCc2cccc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cc[nH+]1 ZINC000544558789 1010188014 /nfs/dbraw/zinc/18/80/14/1010188014.db2.gz PBHNOOVBJUNPDH-QHCPKHFHSA-N 2 2 415.541 3.744 20 0 HHADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000544579319 1010206693 /nfs/dbraw/zinc/20/66/93/1010206693.db2.gz QXWWTXMNHXPCCH-FQEVSTJZSA-N 2 2 400.588 3.933 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@H+](Cc2ccco2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000521187342 1010218558 /nfs/dbraw/zinc/21/85/58/1010218558.db2.gz KFPMIMWZBYBVIK-QHCPKHFHSA-N 2 2 413.562 3.842 20 0 HHADLP COc1ccc([C@H](CNC(=O)C[N@@H+](Cc2ccco2)C(C)C)[NH+]2CCCCC2)cc1 ZINC000521187342 1010218560 /nfs/dbraw/zinc/21/85/60/1010218560.db2.gz KFPMIMWZBYBVIK-QHCPKHFHSA-N 2 2 413.562 3.842 20 0 HHADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccco1 ZINC000521203372 1010227034 /nfs/dbraw/zinc/22/70/34/1010227034.db2.gz WGXLURKDZRVXOI-FPOVZHCZSA-N 2 2 401.576 3.569 20 0 HHADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2=O)ccc1Br ZINC000547333721 1010257078 /nfs/dbraw/zinc/25/70/78/1010257078.db2.gz VYFBCHJZIVXPMZ-FQEVSTJZSA-N 2 2 420.395 3.717 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688581 1010301368 /nfs/dbraw/zinc/30/13/68/1010301368.db2.gz VAVMABKKLQERQR-XMJKJUTBSA-N 2 2 422.658 3.560 20 0 HHADLP COC1CCC(CCNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000544688581 1010301382 /nfs/dbraw/zinc/30/13/82/1010301382.db2.gz VAVMABKKLQERQR-XMJKJUTBSA-N 2 2 422.658 3.560 20 0 HHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005622 1010312729 /nfs/dbraw/zinc/31/27/29/1010312729.db2.gz MRXWJOLSVUTPPF-FTJBHMTQSA-N 3 2 406.618 3.619 20 0 HHADLP C[N@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005622 1010312742 /nfs/dbraw/zinc/31/27/42/1010312742.db2.gz MRXWJOLSVUTPPF-FTJBHMTQSA-N 3 2 406.618 3.619 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511431 1010334806 /nfs/dbraw/zinc/33/48/06/1010334806.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 3 2 412.647 3.537 20 0 HHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511431 1010334822 /nfs/dbraw/zinc/33/48/22/1010334822.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 3 2 412.647 3.537 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547654081 1010383080 /nfs/dbraw/zinc/38/30/80/1010383080.db2.gz LFQBEBYJESCRBD-RTWAWAEBSA-N 2 2 402.970 3.621 20 0 HHADLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547654081 1010383095 /nfs/dbraw/zinc/38/30/95/1010383095.db2.gz LFQBEBYJESCRBD-RTWAWAEBSA-N 2 2 402.970 3.621 20 0 HHADLP Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c(C)c1 ZINC000548113697 1010535979 /nfs/dbraw/zinc/53/59/79/1010535979.db2.gz RKOGTRGUUQRADC-DEOSSOPVSA-N 2 2 421.585 3.617 20 0 HHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000545205725 1010682947 /nfs/dbraw/zinc/68/29/47/1010682947.db2.gz IQEMMBNYFBVTFE-UHFFFAOYSA-N 2 2 415.578 3.713 20 0 HHADLP C[N@@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551644564 1010717393 /nfs/dbraw/zinc/71/73/93/1010717393.db2.gz PYNPAVCPWIVALL-YWZLYKJASA-N 2 2 419.932 3.504 20 0 HHADLP C[N@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551644564 1010717400 /nfs/dbraw/zinc/71/74/00/1010717400.db2.gz PYNPAVCPWIVALL-YWZLYKJASA-N 2 2 419.932 3.504 20 0 HHADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000551672908 1010733887 /nfs/dbraw/zinc/73/38/87/1010733887.db2.gz AXBOCOWULVYRPV-UHFFFAOYSA-N 2 2 416.363 3.950 20 0 HHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000522561763 1011080815 /nfs/dbraw/zinc/08/08/15/1011080815.db2.gz YHFFJUYKMMYLMQ-NHCUHLMSSA-N 2 2 421.589 3.695 20 0 HHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)C1 ZINC000522607718 1011108620 /nfs/dbraw/zinc/10/86/20/1011108620.db2.gz ZSNDPQOTUZIUQN-OALUTQOASA-N 2 2 409.578 3.977 20 0 HHADLP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)nnn1-c1ccc(C)cc1 ZINC000540787594 1011447722 /nfs/dbraw/zinc/44/77/22/1011447722.db2.gz HIKQRELJYRVPQI-GOSISDBHSA-N 2 2 419.577 3.983 20 0 HHADLP COCC[C@@H](Cc1cccc(F)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788372 1011448760 /nfs/dbraw/zinc/44/87/60/1011448760.db2.gz CWRPXDGVQOMDKS-FQEVSTJZSA-N 2 2 400.542 3.811 20 0 HHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000540991991 1011625010 /nfs/dbraw/zinc/62/50/10/1011625010.db2.gz PJICROUCUPGIPL-UHFFFAOYSA-N 2 2 416.585 3.710 20 0 HHADLP CN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000536435763 1011658033 /nfs/dbraw/zinc/65/80/33/1011658033.db2.gz GHHPYMQITWBOGA-GMKZXUHWSA-N 2 2 413.606 3.600 20 0 HHADLP CN(C(=O)c1cccc([C@@H]2CCOC2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536435763 1011658041 /nfs/dbraw/zinc/65/80/41/1011658041.db2.gz GHHPYMQITWBOGA-GMKZXUHWSA-N 2 2 413.606 3.600 20 0 HHADLP COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000536708731 1011880347 /nfs/dbraw/zinc/88/03/47/1011880347.db2.gz PONARYRZXFIKPN-UHFFFAOYSA-N 2 2 407.514 3.807 20 0 HHADLP COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000536708731 1011880365 /nfs/dbraw/zinc/88/03/65/1011880365.db2.gz PONARYRZXFIKPN-UHFFFAOYSA-N 2 2 407.514 3.807 20 0 HHADLP Clc1ccc(C[C@@]2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734200 1011894817 /nfs/dbraw/zinc/89/48/17/1011894817.db2.gz RLHYXSPQKCSPDU-ZEQRLZLVSA-N 2 2 414.977 3.922 20 0 HHADLP Clc1ccc(C[C@@]2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOC2)cc1 ZINC000551734200 1011894837 /nfs/dbraw/zinc/89/48/37/1011894837.db2.gz RLHYXSPQKCSPDU-ZEQRLZLVSA-N 2 2 414.977 3.922 20 0 HHADLP CCOC(=O)C1CCC([N@H+](CC)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551739258 1011901033 /nfs/dbraw/zinc/90/10/33/1011901033.db2.gz ZAJBSHJGAIJPAD-VNXZQDSDSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([N@@H+](CC)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551739258 1011901046 /nfs/dbraw/zinc/90/10/46/1011901046.db2.gz ZAJBSHJGAIJPAD-VNXZQDSDSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([NH+](CC)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551739258 1011901055 /nfs/dbraw/zinc/90/10/55/1011901055.db2.gz ZAJBSHJGAIJPAD-VNXZQDSDSA-N 2 2 402.579 3.721 20 0 HHADLP CCOC(=O)C1CCC([NH+](CC)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551739258 1011901065 /nfs/dbraw/zinc/90/10/65/1011901065.db2.gz ZAJBSHJGAIJPAD-VNXZQDSDSA-N 2 2 402.579 3.721 20 0 HHADLP C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000541248398 1011928837 /nfs/dbraw/zinc/92/88/37/1011928837.db2.gz CZMNVRZJHBIBIG-FYYLOGMGSA-N 2 2 412.622 3.914 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541251246 1011933310 /nfs/dbraw/zinc/93/33/10/1011933310.db2.gz KVIKEDJHZYSRJN-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541251246 1011933317 /nfs/dbraw/zinc/93/33/17/1011933317.db2.gz KVIKEDJHZYSRJN-SFTDATJTSA-N 2 2 409.977 3.817 20 0 HHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000551787501 1011947903 /nfs/dbraw/zinc/94/79/03/1011947903.db2.gz HUPTXPVTPNXZAQ-CTUHWIOQSA-N 2 2 410.558 3.688 20 0 HHADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000551900673 1012020762 /nfs/dbraw/zinc/02/07/62/1012020762.db2.gz MNQWGZNAZDDICP-FQEVSTJZSA-N 2 2 401.942 3.720 20 0 HHADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067341 /nfs/dbraw/zinc/06/73/41/1012067341.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 3 2 411.634 3.912 20 0 HHADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000552047562 1012067362 /nfs/dbraw/zinc/06/73/62/1012067362.db2.gz QTRMYLSACQRTPX-GVAUOCQISA-N 3 2 411.634 3.912 20 0 HHADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057908 1012075339 /nfs/dbraw/zinc/07/53/39/1012075339.db2.gz MJTPEAVEYGAADN-PKTZIBPZSA-N 2 2 408.030 3.736 20 0 HHADLP CCc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000523553313 1012090322 /nfs/dbraw/zinc/09/03/22/1012090322.db2.gz XPNDULRVLXHZBL-OAQYLSRUSA-N 2 2 410.562 3.893 20 0 HHADLP CCc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000523553313 1012090344 /nfs/dbraw/zinc/09/03/44/1012090344.db2.gz XPNDULRVLXHZBL-OAQYLSRUSA-N 2 2 410.562 3.893 20 0 HHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867450 1012104778 /nfs/dbraw/zinc/10/47/78/1012104778.db2.gz BWSNNNDEBTUCLT-UZLBHIALSA-N 2 2 411.937 3.828 20 0 HHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000536867450 1012104817 /nfs/dbraw/zinc/10/48/17/1012104817.db2.gz BWSNNNDEBTUCLT-UZLBHIALSA-N 2 2 411.937 3.828 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876485 1012119413 /nfs/dbraw/zinc/11/94/13/1012119413.db2.gz MTYRKKBSYAKLPX-NYMACZPPSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000536876485 1012119424 /nfs/dbraw/zinc/11/94/24/1012119424.db2.gz MTYRKKBSYAKLPX-NYMACZPPSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000536876485 1012119432 /nfs/dbraw/zinc/11/94/32/1012119432.db2.gz MTYRKKBSYAKLPX-NYMACZPPSA-N 2 2 406.618 3.965 20 0 HHADLP CC(C)[C@H](CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000536876485 1012119444 /nfs/dbraw/zinc/11/94/44/1012119444.db2.gz MTYRKKBSYAKLPX-NYMACZPPSA-N 2 2 406.618 3.965 20 0 HHADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398950 1012126170 /nfs/dbraw/zinc/12/61/70/1012126170.db2.gz WIRXKVWMJXQXSJ-FGZHOGPDSA-N 2 2 408.590 3.782 20 0 HHADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933029 1012223518 /nfs/dbraw/zinc/22/35/18/1012223518.db2.gz GVMMRBABJVUQNP-CALCHBBNSA-N 2 2 419.591 3.802 20 0 HHADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933029 1012223543 /nfs/dbraw/zinc/22/35/43/1012223543.db2.gz GVMMRBABJVUQNP-CALCHBBNSA-N 2 2 419.591 3.802 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470441 1012237293 /nfs/dbraw/zinc/23/72/93/1012237293.db2.gz AKWPDBGGGHRZKC-RTBURBONSA-N 2 2 405.612 3.604 20 0 HHADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000541470441 1012237302 /nfs/dbraw/zinc/23/73/02/1012237302.db2.gz AKWPDBGGGHRZKC-RTBURBONSA-N 2 2 405.612 3.604 20 0 HHADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944149 1012243460 /nfs/dbraw/zinc/24/34/60/1012243460.db2.gz KWWIICFQSZCHPA-DQLDELGASA-N 2 2 424.992 3.988 20 0 HHADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944149 1012243480 /nfs/dbraw/zinc/24/34/80/1012243480.db2.gz KWWIICFQSZCHPA-DQLDELGASA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944149 1012243497 /nfs/dbraw/zinc/24/34/97/1012243497.db2.gz KWWIICFQSZCHPA-DQLDELGASA-N 2 2 424.992 3.988 20 0 HHADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000536944149 1012243518 /nfs/dbraw/zinc/24/35/18/1012243518.db2.gz KWWIICFQSZCHPA-DQLDELGASA-N 2 2 424.992 3.988 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486707 1012259349 /nfs/dbraw/zinc/25/93/49/1012259349.db2.gz VKGHHWPVZVRGCF-VAMGGRTRSA-N 2 2 412.688 3.743 20 0 HHADLP CS[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000541486707 1012259367 /nfs/dbraw/zinc/25/93/67/1012259367.db2.gz VKGHHWPVZVRGCF-VAMGGRTRSA-N 2 2 412.688 3.743 20 0 HHADLP Cc1nc([C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000536995561 1012297116 /nfs/dbraw/zinc/29/71/16/1012297116.db2.gz TUQUQQBOMNUUJO-KRWDZBQOSA-N 2 2 419.953 3.524 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000541542391 1012326778 /nfs/dbraw/zinc/32/67/78/1012326778.db2.gz UWFCTFMKOHGVBC-URXFXBBRSA-N 2 2 413.631 3.932 20 0 HHADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000541542391 1012326785 /nfs/dbraw/zinc/32/67/85/1012326785.db2.gz UWFCTFMKOHGVBC-URXFXBBRSA-N 2 2 413.631 3.932 20 0 HHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000537034651 1012349991 /nfs/dbraw/zinc/34/99/91/1012349991.db2.gz QMKMZFUMLNXPCM-UHFFFAOYSA-N 2 2 423.026 3.833 20 0 HHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000537034651 1012350003 /nfs/dbraw/zinc/35/00/03/1012350003.db2.gz QMKMZFUMLNXPCM-UHFFFAOYSA-N 2 2 423.026 3.833 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523750122 1012374710 /nfs/dbraw/zinc/37/47/10/1012374710.db2.gz TWSUWYIXOIKURA-QFIPXVFZSA-N 2 2 403.530 3.508 20 0 HHADLP CC[C@@H](CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000523750122 1012374724 /nfs/dbraw/zinc/37/47/24/1012374724.db2.gz TWSUWYIXOIKURA-QFIPXVFZSA-N 2 2 403.530 3.508 20 0 HHADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000541645159 1012466083 /nfs/dbraw/zinc/46/60/83/1012466083.db2.gz CVXPUTUYURCCOE-FQEVSTJZSA-N 2 2 411.594 3.582 20 0 HHADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000537130463 1012514217 /nfs/dbraw/zinc/51/42/17/1012514217.db2.gz LOFGMQBKBQJIFR-IBGZPJMESA-N 2 2 420.582 3.805 20 0 HHADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000541910252 1012769728 /nfs/dbraw/zinc/76/97/28/1012769728.db2.gz OOQHFKAPILXGBI-DEOSSOPVSA-N 2 2 414.553 3.914 20 0 HHADLP C[NH+]1CCC(CNC(=O)c2coc(-c3ccccc3Cl)n2)([NH+]2CCCCC2)CC1 ZINC000537355305 1012822652 /nfs/dbraw/zinc/82/26/52/1012822652.db2.gz FVRGPRWNWXXSDR-UHFFFAOYSA-N 2 2 416.953 3.675 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542030474 1012927332 /nfs/dbraw/zinc/92/73/32/1012927332.db2.gz BMHMVNQWIBMIPF-XZOQPEGZSA-N 2 2 413.610 3.761 20 0 HHADLP CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542030474 1012927344 /nfs/dbraw/zinc/92/73/44/1012927344.db2.gz BMHMVNQWIBMIPF-XZOQPEGZSA-N 2 2 413.610 3.761 20 0 HHADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542079415 1013001033 /nfs/dbraw/zinc/00/10/33/1013001033.db2.gz KTAFYWISLMPKEG-RBUKOAKNSA-N 2 2 421.948 3.979 20 0 HHADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542079415 1013001050 /nfs/dbraw/zinc/00/10/50/1013001050.db2.gz KTAFYWISLMPKEG-RBUKOAKNSA-N 2 2 421.948 3.979 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729683948 1071805872 /nfs/dbraw/zinc/80/58/72/1071805872.db2.gz HGTNKQUPGKYQQS-BJKOFHAPSA-N 2 2 420.532 3.940 20 0 HHADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729683948 1071805890 /nfs/dbraw/zinc/80/58/90/1071805890.db2.gz HGTNKQUPGKYQQS-BJKOFHAPSA-N 2 2 420.532 3.940 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729684186 1071804730 /nfs/dbraw/zinc/80/47/30/1071804730.db2.gz KSQRQOUYBBWRKL-GOTSBHOMSA-N 2 2 406.505 3.631 20 0 HHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000729684186 1071804756 /nfs/dbraw/zinc/80/47/56/1071804756.db2.gz KSQRQOUYBBWRKL-GOTSBHOMSA-N 2 2 406.505 3.631 20 0 HHADLP COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168302944 1072467309 /nfs/dbraw/zinc/46/73/09/1072467309.db2.gz YZPLVIBWVRLVHA-UHFFFAOYSA-N 2 2 419.363 3.922 20 0 HHADLP COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001168302944 1072467316 /nfs/dbraw/zinc/46/73/16/1072467316.db2.gz YZPLVIBWVRLVHA-UHFFFAOYSA-N 2 2 419.363 3.922 20 0 HHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705064 1072618681 /nfs/dbraw/zinc/61/86/81/1072618681.db2.gz CHMOTNPYRQSHPV-SXLOBPIMSA-N 2 2 420.395 3.529 20 0 HHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000537705064 1072618685 /nfs/dbraw/zinc/61/86/85/1072618685.db2.gz CHMOTNPYRQSHPV-SXLOBPIMSA-N 2 2 420.395 3.529 20 0 HHADLP C[NH+](C)CCC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000555093121 1073142057 /nfs/dbraw/zinc/14/20/57/1073142057.db2.gz PQVJRTMFDDZLKP-UHFFFAOYSA-N 2 2 405.178 3.770 20 0 HHADLP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccccc21 ZINC000555232913 1073276692 /nfs/dbraw/zinc/27/66/92/1073276692.db2.gz PRSTYNASXKNNEF-STZQEDGTSA-N 2 2 408.546 3.816 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377563 1073386939 /nfs/dbraw/zinc/38/69/39/1073386939.db2.gz QRLBAZKHLCSZOK-NHCICSSKSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1=O ZINC000555377563 1073386951 /nfs/dbraw/zinc/38/69/51/1073386951.db2.gz QRLBAZKHLCSZOK-NHCICSSKSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000555377563 1073386954 /nfs/dbraw/zinc/38/69/54/1073386954.db2.gz QRLBAZKHLCSZOK-NHCICSSKSA-N 2 2 409.549 3.942 20 0 HHADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000555377563 1073386960 /nfs/dbraw/zinc/38/69/60/1073386960.db2.gz QRLBAZKHLCSZOK-NHCICSSKSA-N 2 2 409.549 3.942 20 0 HHADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000590846042 1074015484 /nfs/dbraw/zinc/01/54/84/1074015484.db2.gz COBAAXXSCBJDDI-FXAWDEMLSA-N 2 2 403.958 3.966 20 0 HHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000590852507 1074017863 /nfs/dbraw/zinc/01/78/63/1074017863.db2.gz BBGUUCXIRCXCTD-VIZSFHNOSA-N 2 2 409.578 3.908 20 0 HHADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590853313 1074018486 /nfs/dbraw/zinc/01/84/86/1074018486.db2.gz ZDPUTJXBMOUUOX-VQTJNVASSA-N 2 2 401.942 3.720 20 0 HHADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000591083065 1074102856 /nfs/dbraw/zinc/10/28/56/1074102856.db2.gz NNELQZZIWIZPDV-HXUWFJFHSA-N 2 2 407.543 3.846 20 0 HHADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000591083065 1074102861 /nfs/dbraw/zinc/10/28/61/1074102861.db2.gz NNELQZZIWIZPDV-HXUWFJFHSA-N 2 2 407.543 3.846 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097205 1074110191 /nfs/dbraw/zinc/11/01/91/1074110191.db2.gz BEJAHIIBWLFAJC-LOSJGSFVSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097205 1074110194 /nfs/dbraw/zinc/11/01/94/1074110194.db2.gz BEJAHIIBWLFAJC-LOSJGSFVSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097205 1074110199 /nfs/dbraw/zinc/11/01/99/1074110199.db2.gz BEJAHIIBWLFAJC-LOSJGSFVSA-N 2 2 422.617 3.565 20 0 HHADLP CC[NH+](CC)[C@@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000591097205 1074110203 /nfs/dbraw/zinc/11/02/03/1074110203.db2.gz BEJAHIIBWLFAJC-LOSJGSFVSA-N 2 2 422.617 3.565 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(C(F)(F)F)n[nH]3)CC2)c1C ZINC000568329987 1074153776 /nfs/dbraw/zinc/15/37/76/1074153776.db2.gz PAZSVEFAWRGMNS-UHFFFAOYSA-N 2 2 411.472 3.545 20 0 HHADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(C(F)(F)F)n[nH]3)CC2)c1C ZINC000568329987 1074153789 /nfs/dbraw/zinc/15/37/89/1074153789.db2.gz PAZSVEFAWRGMNS-UHFFFAOYSA-N 2 2 411.472 3.545 20 0 HHADLP Cc1ccccc1C1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000591585207 1074427291 /nfs/dbraw/zinc/42/72/91/1074427291.db2.gz PFMQJQBWYBNXBL-UHFFFAOYSA-N 2 2 414.638 3.864 20 0 HHADLP Cc1ccccc1C1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000591585207 1074427295 /nfs/dbraw/zinc/42/72/95/1074427295.db2.gz PFMQJQBWYBNXBL-UHFFFAOYSA-N 2 2 414.638 3.864 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000573965307 1074745038 /nfs/dbraw/zinc/74/50/38/1074745038.db2.gz NKKSWDIEPMRMTQ-UHFFFAOYSA-N 2 2 414.553 3.523 20 0 HHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000573965307 1074745041 /nfs/dbraw/zinc/74/50/41/1074745041.db2.gz NKKSWDIEPMRMTQ-UHFFFAOYSA-N 2 2 414.553 3.523 20 0 HHADLP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(Br)c1OC(F)F ZINC000573966091 1074745707 /nfs/dbraw/zinc/74/57/07/1074745707.db2.gz NODYFAATTHVHAF-NSHDSACASA-N 2 2 416.266 3.819 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574081045 1075161097 /nfs/dbraw/zinc/16/10/97/1075161097.db2.gz DLERQEMWTRTMMV-AIZNXBIQSA-N 2 2 413.997 3.577 20 0 HHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574081045 1075161101 /nfs/dbraw/zinc/16/11/01/1075161101.db2.gz DLERQEMWTRTMMV-AIZNXBIQSA-N 2 2 413.997 3.577 20 0 HHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000594245812 1075271067 /nfs/dbraw/zinc/27/10/67/1075271067.db2.gz TXGCPVUWLBNOTC-KCZVDYSFSA-N 2 2 414.594 3.778 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574963062 1075434155 /nfs/dbraw/zinc/43/41/55/1075434155.db2.gz YZXLFBSOGAOVOS-ZJSXRUAMSA-N 2 2 420.601 3.673 20 0 HHADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574963062 1075434157 /nfs/dbraw/zinc/43/41/57/1075434157.db2.gz YZXLFBSOGAOVOS-ZJSXRUAMSA-N 2 2 420.601 3.673 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474348 1075618208 /nfs/dbraw/zinc/61/82/08/1075618208.db2.gz OCIOVMXGFVZOMV-QXAKKESOSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474348 1075618209 /nfs/dbraw/zinc/61/82/09/1075618209.db2.gz OCIOVMXGFVZOMV-QXAKKESOSA-N 2 2 410.389 3.724 20 0 HHADLP CN(C(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475117 1075619186 /nfs/dbraw/zinc/61/91/86/1075619186.db2.gz ULSHJUQSEZJPBR-MRXNPFEDSA-N 2 2 416.418 3.712 20 0 HHADLP CN(C(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475117 1075619189 /nfs/dbraw/zinc/61/91/89/1075619189.db2.gz ULSHJUQSEZJPBR-MRXNPFEDSA-N 2 2 416.418 3.712 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476605 1075620102 /nfs/dbraw/zinc/62/01/02/1075620102.db2.gz HAFAMDAYLVFGGN-IBGZPJMESA-N 2 2 413.587 3.664 20 0 HHADLP COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476605 1075620105 /nfs/dbraw/zinc/62/01/05/1075620105.db2.gz HAFAMDAYLVFGGN-IBGZPJMESA-N 2 2 413.587 3.664 20 0 HHADLP CN(C(=O)CCc1cccc(OC2CCCC2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478969 1075620902 /nfs/dbraw/zinc/62/09/02/1075620902.db2.gz QFDNSXAFOOABFK-JOCHJYFZSA-N 2 2 413.606 3.568 20 0 HHADLP CN(C(=O)CCc1cccc(OC2CCCC2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478969 1075620904 /nfs/dbraw/zinc/62/09/04/1075620904.db2.gz QFDNSXAFOOABFK-JOCHJYFZSA-N 2 2 413.606 3.568 20 0 HHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)C2)CC1 ZINC000669604098 1075636759 /nfs/dbraw/zinc/63/67/59/1075636759.db2.gz MJBNGWHYTMITCC-CQSZACIVSA-N 2 2 421.372 3.887 20 0 HHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3[nH]ccc3-c3c(Cl)cccc3Cl)C2)CC1 ZINC000669604098 1075636762 /nfs/dbraw/zinc/63/67/62/1075636762.db2.gz MJBNGWHYTMITCC-CQSZACIVSA-N 2 2 421.372 3.887 20 0 HHADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164712511 720097587 /nfs/dbraw/zinc/09/75/87/720097587.db2.gz WKOCSDKVMXASPH-OAQYLSRUSA-N 2 2 409.578 3.811 20 0 HHADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(C)C)[nH+]c(C)n1)CC2 ZINC001164712511 720097593 /nfs/dbraw/zinc/09/75/93/720097593.db2.gz WKOCSDKVMXASPH-OAQYLSRUSA-N 2 2 409.578 3.811 20 0 HHADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC001164873222 721221959 /nfs/dbraw/zinc/22/19/59/721221959.db2.gz QFUGJABNWCQHGU-JOCHJYFZSA-N 2 2 421.589 3.899 20 0 HHADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC001164873222 721221963 /nfs/dbraw/zinc/22/19/63/721221963.db2.gz QFUGJABNWCQHGU-JOCHJYFZSA-N 2 2 421.589 3.899 20 0 HHADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)[nH+]c(C)n3)C2)C1 ZINC001164776370 721335435 /nfs/dbraw/zinc/33/54/35/721335435.db2.gz FDWPTAPRSPJENF-HSZRJFAPSA-N 2 2 413.566 3.632 20 0 HHADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(C)C)[nH+]c(C)n3)C2)C1 ZINC001164776370 721335438 /nfs/dbraw/zinc/33/54/38/721335438.db2.gz FDWPTAPRSPJENF-HSZRJFAPSA-N 2 2 413.566 3.632 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164809934 721538784 /nfs/dbraw/zinc/53/87/84/721538784.db2.gz VVVCOFZNSOLQNA-RJGXRXQPSA-N 2 2 404.514 3.507 20 0 HHADLP COc1ccc2c(cc[nH+]c2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164809934 721538789 /nfs/dbraw/zinc/53/87/89/721538789.db2.gz VVVCOFZNSOLQNA-RJGXRXQPSA-N 2 2 404.514 3.507 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1N1CCCC1 ZINC001165024006 721797711 /nfs/dbraw/zinc/79/77/11/721797711.db2.gz KQMTYYCHKNCPLE-BVSLBCMMSA-N 2 2 406.578 3.517 20 0 HHADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1N1CCCC1 ZINC001165024006 721797712 /nfs/dbraw/zinc/79/77/12/721797712.db2.gz KQMTYYCHKNCPLE-BVSLBCMMSA-N 2 2 406.578 3.517 20 0 HHADLP